saquinavir [Ligand Id: 4813] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL114 (Fortovase, Invirase, Ro-31-8959, RO 31-8959/000, Saquinavir, Saquinavirum, SCH-52852)
  • ABCG2/ATP-binding cassette sub-family G member 2 in Human [ChEMBL: CHEMBL5393] [GtoPdb: 792] [UniProtKB: Q9UNQ0]
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  • Chloroquine resistance transporter in Plasmodium falciparum [ChEMBL: CHEMBL1795182] [UniProtKB: Q9N623]
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  • δ receptor/Delta opioid receptor in Human [ChEMBL: CHEMBL236] [GtoPdb: 317] [UniProtKB: P41143]
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  • D3 receptor/Dopamine D3 receptor in Human [ChEMBL: CHEMBL234] [GtoPdb: 216] [UniProtKB: P35462]
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  • Human immunodeficiency virus type 1 protease in Human immunodeficiency virus 1 [ChEMBL: CHEMBL243] [UniProtKB: Q72874]
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  • Human immunodeficiency virus type 2 pol protein in Human immunodeficiency virus 2 [ChEMBL: CHEMBL5074] [UniProtKB: P88142]
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  • Human rhinovirus A protease in Human rhinovirus sp. [ChEMBL: CHEMBL2857] [UniProtKB: Q4U254]
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  • κ receptor/Kappa opioid receptor in Human [ChEMBL: CHEMBL237] [GtoPdb: 318] [UniProtKB: P41145]
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  • μ receptor/Mu opioid receptor in Human [ChEMBL: CHEMBL233] [GtoPdb: 319] [UniProtKB: P35372]
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  • NK2 receptor/Neurokinin 2 receptor in Human [ChEMBL: CHEMBL2327] [GtoPdb: 361] [UniProtKB: P21452]
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  • 5-HT1A receptor/Serotonin 1a (5-HT1a) receptor in Rat [ChEMBL: CHEMBL273] [GtoPdb: 1] [UniProtKB: P19327]
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  • Organic cation transporter 1/Solute carrier family 22 member 1 in Rat [ChEMBL: CHEMBL2073670] [GtoPdb: 1019] [UniProtKB: Q63089]
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  • V1A receptor/Vasopressin V1a receptor in Human [ChEMBL: CHEMBL1889] [GtoPdb: 366] [UniProtKB: P37288]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
ABCG2/ATP-binding cassette sub-family G member 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5393] [GtoPdb: 792] [UniProtKB: Q9UNQ0]
ChEMBL TP_TRANSPORTER: increase in mitoxantrone intracellular accumulation in BCRP-expressing HEK cells F 4.71 pIC50 19500 nM IC50 J Pharmacol Exp Ther (2004) 310: 334-341 [PMID:15007102]
ChEMBL Inhibition of ABCG2 (unknown origin) expressed in human HEK293 cells mediated mitoxantrone efflux assessed as intracellular mitoxantrone level preincubated with mitoxantrone followed by compound addition and measured upto 60 mins by FACSflow cytometry analysis B 4.71 pIC50 19500 nM IC50 Eur J Med Chem (2022) 237: 114346-114346 [PMID:35483322]
Chloroquine resistance transporter in Plasmodium falciparum (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1795182] [UniProtKB: Q9N623]
ChEMBL Inhibition of chloroquine-resistant Plasmodium falciparum Dd2 CRT expressed in Xenopus laevis oocyte assessed as inhibition of [3H]chloroquine uptake measured from 1 to 2 hrs B 4.89 pIC50 13000 nM IC50 J Med Chem (2012) 55: 6948-6967 [PMID:22783984]
ChEMBL Inhibition of chloroquine-resistant Plasmodium falciparum Dd2 CRT expressed in Xenopus laevis oocytes assessed as reduction in [3H]-chloroquine uptake after 1.5 to 2 hrs B 4.89 pIC50 13000 nM IC50 J Med Chem (2012) 55: 10387-10404 [PMID:23145816]
δ receptor/Delta opioid receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL236] [GtoPdb: 317] [UniProtKB: P41143]
ChEMBL DRUGMATRIX: Opiate delta1 (OP1, DOP) radioligand binding (ligand: [3H] Naltrindole) B 5 pKi 9930 nM Ki DrugMatrix in vitro pharmacology data
ChEMBL DRUGMATRIX: Opiate delta1 (OP1, DOP) radioligand binding (ligand: [3H] Naltrindole) B 4.55 pIC50 28168 nM IC50 DrugMatrix in vitro pharmacology data
D3 receptor/Dopamine D3 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL234] [GtoPdb: 216] [UniProtKB: P35462]
ChEMBL DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone) B 5.28 pKi 5219 nM Ki DrugMatrix in vitro pharmacology data
ChEMBL DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone) B 4.81 pIC50 15366 nM IC50 DrugMatrix in vitro pharmacology data
DAT/Dopamine transporter in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL238] [GtoPdb: 927] [UniProtKB: Q01959]
ChEMBL DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55) B 4.55 pKi 27885 nM Ki DrugMatrix in vitro pharmacology data
ChEMBL DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55) B 4.45 pIC50 35097 nM IC50 DrugMatrix in vitro pharmacology data
Human immunodeficiency virus type 1 protease in Human immunodeficiency virus 1 (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL243] [UniProtKB: Q72874]
ChEMBL Binding affinity to HIV-1 Aspartic Protease B 7.17 pKd 67.4 nM Kd J Med Chem (2019) 62: 10005-10025 [PMID:31188592]
ChEMBL Equilibrium constant for the interaction between inhibitor and HIV-1 Protease B 9.5 pKd 0.32 nM Kd J Med Chem (2002) 45: 5430-5439 [PMID:12459011]
ChEMBL Binding affinity for human immunodeficiency virus type 1 protease B 9.51 pKd 0.31 nM Kd J Med Chem (2004) 47: 5953-5961 [PMID:15537350]
ChEMBL Inhibition of HIV1 recombinant protease L10I/L24I/L33F/M46L/I54V/L63P/A71V/V82A/I84V mutant expressed in Escherichia coli by spectrophotometric assay B 6.74 pKi 180 nM Ki J Med Chem (2008) 51: 4839-4843 [PMID:18598016]
ChEMBL Dissociation constant obtained by inhibition of mutant HIV-protease (V-18) B 6.93 pKi 117 nM Ki J Med Chem (2000) 43: 3386-3399 [PMID:10978186]
ChEMBL Inhibition of HIV1 recombinant protease L10F/L19I/K20R/L33F/E35D/M36I/R41K/F53L/I54V/L63P/H69K/A71V/T74P/I84V/L89M/L90M/I93L mutant expressed in Escherichia coli by spectrophotometric assay B 7.15 pKi 71 nM Ki J Med Chem (2008) 51: 4839-4843 [PMID:18598016]
ChEMBL Dissociation constant obtained by inhibition of mutant HIV-protease (A-44) B 7.82 pKi 15 nM Ki J Med Chem (2000) 43: 3386-3399 [PMID:10978186]
ChEMBL Inhibition of HIV1 recombinant protease M46I/A71V/V82T/I84V mutant expressed in Escherichia coli by spectrophotometric assay B 7.89 pKi 13 nM Ki J Med Chem (2008) 51: 4839-4843 [PMID:18598016]
ChEMBL Inhibition of HIV1 recombinant protease A71V/V82T/I84V mutant expressed in Escherichia coli by spectrophotometric assay B 7.92 pKi 12 nM Ki J Med Chem (2008) 51: 4839-4843 [PMID:18598016]
ChEMBL Inhibition of HIV1 protease V32I mutant by competitive binding B 8.05 pKi 9 nM Ki J Med Chem (2008) 51: 6599-6603 [PMID:18808097]
ChEMBL Dissociation constant obtained by inhibition of mutant HIV-protease (K-60) B 8.43 pKi 3.7 nM Ki J Med Chem (2000) 43: 3386-3399 [PMID:10978186]
ChEMBL Inhibition of HIV1 recombinant protease L10I/I15V/E35D/N37S/R41K/I62V/L63P/A71V/G73S/L90M mutant expressed in Escherichia coli by spectrophotometric assay B 8.54 pKi 2.9 nM Ki J Med Chem (2008) 51: 4839-4843 [PMID:18598016]
ChEMBL Inhibition of HIV-1 protease assessed as inhibition constant B 8.85 pKi 1.4 nM Ki J Med Chem (2021) 64: 9786-9874 [PMID:34213340]
ChEMBL Compound was evaluated for binding affinity against HIV protease B 8.85 pKi 1.4 nM Ki Bioorg Med Chem Lett (1998) 8: 979-982 [PMID:9871524]
ChEMBL Inhibition of HIV1 recombinant protease D30N/N88D mutant expressed in Escherichia coli by spectrophotometric assay B 9.29 pKi 0.51 nM Ki J Med Chem (2008) 51: 4839-4843 [PMID:18598016]
ChEMBL Inhibitory activity against P2 site in HIV protease. B 9.34 pKi 0.45 nM Ki Bioorg Med Chem Lett (1996) 6: 585-588
ChEMBL Binding affinity to inhibit the purified wild-type HIV-1 Protease B 9.6 pKi 0.25 nM Ki J Med Chem (1997) 40: 181-191 [PMID:9003516]
ChEMBL Affinity against HIV protease B 9.6 pKi 0.25 nM Ki J Med Chem (1997) 40: 4079-4088 [PMID:9406598]
ChEMBL Inhibitory activity against HIV-1 protease B 9.6 pKi 0.25 nM Ki J Med Chem (1996) 39: 4299-4312 [PMID:8863807]
ChEMBL Inhibition constant for human immunodeficiency virus type 1 protease B 9.64 pKi 0.23 nM Ki J Med Chem (2004) 47: 5953-5961 [PMID:15537350]
ChEMBL Inhibition constant against HIV-1 Protease B 9.64 pKi 0.23 nM Ki J Med Chem (2002) 45: 5430-5439 [PMID:12459011]
ChEMBL Inhibitory concentration against HIV-1 protease B 9.64 pKi 0.23 nM Ki J Med Chem (2001) 44: 3083-3091 [PMID:11543677]
ChEMBL Inhibition of HIV1 recombinant protease V32I/I47A mutant expressed in Escherichia coli by spectrophotometric assay B 9.66 pKi 0.22 nM Ki J Med Chem (2008) 51: 4839-4843 [PMID:18598016]
ChEMBL Inhibitory activity against HIV-1 protease B 9.72 pKi 0.19 nM Ki J Med Chem (2003) 46: 1764-1768 [PMID:12699395]
ChEMBL Binding affinity to HIV-1 protease B 9.92 pKi 0.12 nM Ki J Med Chem (1994) 37: 1769-1778 [PMID:8021917]
ChEMBL Binding affinity to HIV1 protease assessed as inhibition constant B 9.92 pKi 0.12 nM Ki J Med Chem (2016) 59: 5172-5208 [PMID:26799988]
ChEMBL Compound was tested for its inhibitory potency against human immunodeficiency virus -1 (HIV-1 protease); In house preparation B 9.92 pKi 0.12 nM Ki Bioorg Med Chem Lett (2002) 12: 1993-1996 [PMID:12113826]
ChEMBL Binding activity against HIV-1 Protease B 9.92 pKi 0.12 nM Ki J Med Chem (1991) 34: 3340-3342 [PMID:1956054]
ChEMBL The compound was tested for binding activity against HIV-1 protease B 9.92 pKi 0.12 nM Ki J Med Chem (1991) 34: 3340-3342 [PMID:1956054]
ChEMBL Dissociation constant obtained by inhibition of Wild-type protease B 10.21 pKi 0.06 nM Ki J Med Chem (2000) 43: 3386-3399 [PMID:10978186]
ChEMBL Inhibition of HIV protease B 10.4 pKi 0.04 nM Ki Bioorg Med Chem Lett (2000) 10: 1159-1162 [PMID:10866371]
ChEMBL Compound was tested for inhibitory activity against HIV-1 protease B 6.57 pIC50 270 nM IC50 Bioorg Med Chem Lett (2002) 12: 1763-1766 [PMID:12067556]
ChEMBL Inhibitory activity against HIV-1 protease using scintillation proximity assay (SPA assay) B 7.35 pIC50 45 nM IC50 Bioorg Med Chem Lett (1998) 8: 931-934 [PMID:9871514]
ChEMBL Concentration required for inhibitory activity against HIV-1 Protease B 7.52 pIC50 30 nM IC50 Bioorg Med Chem Lett (1993) 3: 1595-1600
ChEMBL Inhibitory activity against HIV-1 Protease B 7.95 pIC50 11.2 nM IC50 J Med Chem (1993) 36: 3120-3128 [PMID:8230098]
ChEMBL In vitro inhibitory activity against HIV proteinase B 7.96 pIC50 11 nM IC50 J Med Chem (1994) 37: 3707-3716 [PMID:7966131]
ChEMBL In vivo antiviral activity (IC50) against HIV-1 protease. B 8.2 pIC50 6.3 nM IC50 J Med Chem (1996) 39: 3203-3216 [PMID:8759643]
ChEMBL Inhibitory activity against HIV-1 protease B 8.74 pIC50 1.8 nM IC50 Bioorg Med Chem Lett (1995) 5: 715-720
ChEMBL Inhibitory activity against human immunodeficiency virus protease (HIVP) using protease inhibition assay B 8.77 pIC50 1.7 nM IC50 Bioorg Med Chem Lett (1995) 5: 721-726
ChEMBL Inhibitory concentration required against HIV-1 protease B 9 pIC50 1 nM IC50 Bioorg Med Chem Lett (1995) 5: 2885-2890
ChEMBL In vitro inhibition of HIV-1 protease. B 9 pIC50 1 nM IC50 Bioorg Med Chem Lett (1995) 5: 2891-2896
ChEMBL Tested for inhibitory concentration against HIV-1 protease in experiment 2 B 9.4 pIC50 0.4 nM IC50 J Med Chem (1993) 36: 2300-2310 [PMID:8360874]
ChEMBL Binding activity against HIV-1 Protease B 9.4 pIC50 <0.4 nM IC50 J Med Chem (1991) 34: 3340-3342 [PMID:1956054]
ChEMBL Binding activity against HIV-1 Protease B 9.4 pIC50 <0.4 nM IC50 J Med Chem (1991) 34: 3340-3342 [PMID:1956054]
ChEMBL Inhibitory activity against HIV-1 Protease was determined B 9.4 pIC50 <0.4 nM IC50 Bioorg Med Chem Lett (1994) 4: 2759-2762
ChEMBL Inhibition of wild type HIV1 recombinant aspartic protease B 9.4 pIC50 0.4 nM IC50 Bioorg Med Chem (2008) 16: 902-908 [PMID:17964171]
ChEMBL Inhibitory potency against HIV-1 protease B 9.4 pIC50 0.4 nM IC50 J Med Chem (1993) 36: 4152-4160 [PMID:8277496]
ChEMBL In vitro inhibition of HIV protease, using a peptide hydrolysis assay B 9.47 pIC50 0.34 nM IC50 J Med Chem (1992) 35: 2525-2533 [PMID:1635054]
ChEMBL Inhibition of HIV1 protease using H-Val-Ser-Gln-Am-(L-b-naphthyl-alanine)-Pro-Ile-Val-OH as substrate by HPLC method B 9.64 pIC50 0.23 nM IC50 J Med Chem (2020) 63: 12290-12358 [PMID:32686940]
ChEMBL Tested for inhibitory concentration against HIV-1 protease B 9.64 pIC50 0.23 nM IC50 J Med Chem (1993) 36: 2300-2310 [PMID:8360874]
ChEMBL Inhibition of HIV-1 protease B 9.64 pIC50 0.23 nM IC50 J Med Chem (2021) 64: 9786-9874 [PMID:34213340]
ChEMBL Tested against S2-binding site of HIV-1 protease B 9.64 pIC50 0.23 nM IC50 J Med Chem (1993) 36: 924-927 [PMID:8464047]
ChEMBL Inhibition of HIV-1 protease was determined in vitro B 9.64 pIC50 0.23 nM IC50 J Med Chem (1995) 38: 305-317 [PMID:7830273]
ChEMBL Inhibitory activity against HIV-1 protease. B 9.64 pIC50 0.23 nM IC50 J Med Chem (1998) 41: 836-852 [PMID:9526559]
ChEMBL In vitro inhibition HIV-1 IIIB protease. B 9.7 pIC50 0.2 nM IC50 Bioorg Med Chem Lett (1994) 4: 2217-2222
Human immunodeficiency virus type 2 pol protein in Human immunodeficiency virus 2 (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5074] [UniProtKB: P88142]
ChEMBL Tested for inhibitory concentration against HIV-2 protease F 9.3 pIC50 0.5 nM IC50 J Med Chem (1993) 36: 2300-2310 [PMID:8360874]
Human rhinovirus A protease in Human rhinovirus sp. (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2857] [UniProtKB: Q4U254]
ChEMBL Compound was evaluated for inhibitory activity against HIV-2 protease B 9.3 pIC50 0.5 nM IC50 J Med Chem (1994) 37: 1177-1188 [PMID:8164260]
κ receptor/Kappa opioid receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL237] [GtoPdb: 318] [UniProtKB: P41145]
ChEMBL DRUGMATRIX: Opiate kappa (OP2, KOP) radioligand binding (ligand: [3H] Diprenorphine) B 5.56 pKi 2780 nM Ki DrugMatrix in vitro pharmacology data
ChEMBL DRUGMATRIX: Opiate kappa (OP2, KOP) radioligand binding (ligand: [3H] Diprenorphine) B 5.16 pIC50 6951 nM IC50 DrugMatrix in vitro pharmacology data
μ receptor/Mu opioid receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL233] [GtoPdb: 319] [UniProtKB: P35372]
ChEMBL DRUGMATRIX: Opiate mu (OP3, MOP) radioligand binding (ligand: [3H] Diprenorphine) B 5.41 pKi 3907 nM Ki DrugMatrix in vitro pharmacology data
ChEMBL DRUGMATRIX: Opiate mu (OP3, MOP) radioligand binding (ligand: [3H] Diprenorphine) B 5.02 pIC50 9625 nM IC50 DrugMatrix in vitro pharmacology data
NK2 receptor/Neurokinin 2 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2327] [GtoPdb: 361] [UniProtKB: P21452]
ChEMBL DRUGMATRIX: Tachykinin NK2 radioligand binding (ligand: [3H] SR-48968) B 5.68 pKi 2071 nM Ki DrugMatrix in vitro pharmacology data
ChEMBL DRUGMATRIX: Tachykinin NK2 radioligand binding (ligand: [3H] SR-48968) B 5.21 pIC50 6214 nM IC50 DrugMatrix in vitro pharmacology data
ABCB1/P-glycoprotein 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4302] [GtoPdb: 768] [UniProtKB: P08183]
ChEMBL Inhibition of human MDR1-dependent accumulation of calcein-AM expressed in MDCK2 cells B 4 pIC50 100000 nM IC50 Antimicrob Agents Chemother (2007) 51: 3498-3504 [PMID:17664327]
ChEMBL Inhibition of P-glycoprotein, human L-MDR1 expressed in LLC-PK1 epithelial cells using calcein-AM polarisation assay F 4.92 pIC50 12000 nM IC50 J Med Chem (2003) 46: 1716-1725 [PMID:12699389]
ChEMBL TP_TRANSPORTER: inhibition of Calcein-AM efflux in MDR1-expressing LLC-PK1 cells F 4.92 pIC50 12000 nM IC50 J Med Chem (2003) 46: 1716-1725 [PMID:12699389]
ChEMBL TP_TRANSPORTER: inhibition of Digoxin transepithelial transport (basal to apical) (Digoxin: 5 uM) in Caco-2 cells F 5.19 pIC50 6500 nM IC50 Drug Metab Dispos (2000) 28: 655-660 [PMID:10820137]
ChEMBL Inhibition of P-glycoprotein using calcein-AM assay transfected in porcine PBCEC F 5.8 pIC50 1600 nM IC50 J Med Chem (2003) 46: 1716-1725 [PMID:12699389]
P-glycoprotein 1 in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3467] [UniProtKB: P06795]
ChEMBL Inhibition of P-glycoprotein, mouse L-mdr1b expressed in LLC-PK1 epithelial cells using calcein-AM polarisation assay F 4.3 pIC50 >50000 nM IC50 J Med Chem (2003) 46: 1716-1725 [PMID:12699389]
ChEMBL TP_TRANSPORTER: inhibition of Calcein-AM efflux in Mdr1b-expressing LLC-PK1 cells F 4.3 pIC50 >50000 nM IC50 J Med Chem (2003) 46: 1716-1725 [PMID:12699389]
ABCB1/P-glycoprotein 3 in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2573] [GtoPdb: 768] [UniProtKB: P21447]
ChEMBL Inhibition of P-glycoprotein, mouse L-mdr1a expressed in LLC-PK1 epithelial cells using calcein-AM polarisation assay F 4.3 pIC50 >50000 nM IC50 J Med Chem (2003) 46: 1716-1725 [PMID:12699389]
ChEMBL TP_TRANSPORTER: inhibition of Calcein-AM efflux in Mdr1a-expressing LLC-PK1 cells F 4.3 pIC50 >50000 nM IC50 J Med Chem (2003) 46: 1716-1725 [PMID:12699389]
Plasmodium falciparum (target type: ORGANISM) [ChEMBL: CHEMBL364]
ChEMBL Antimicrobial activity against Plasmodium falciparum at ring stage F 5.08 pIC50 8305 nM IC50 Antimicrob Agents Chemother (2008) 52: 2435-2441 [PMID:18443130]
ChEMBL Antimalarial activity against Plasmodium falciparum D10 F 5.26 pEC50 5500 nM EC50 Antimicrob Agents Chemother (2007) 51: 759-762 [PMID:17088482]
ChEMBL Antimicrobial activity against Plasmodium falciparum harboring HFP-tagged Pfs16 protein after 48 hrs F 5.3 pEC50 5000 nM EC50 Antimicrob Agents Chemother (2010) 54: 1334-1337 [PMID:20028821]
ChEMBL Antimicrobial activity against chloroquine-sensitive Plasmodium falciparum D10 after 48 hrs F 5.52 pEC50 3000 nM EC50 Antimicrob Agents Chemother (2010) 54: 1334-1337 [PMID:20028821]
ChEMBL Antimicrobial activity against chloroquine-sensitive Plasmodium falciparum 3D7 after 48 hrs F 5.52 pEC50 3000 nM EC50 Antimicrob Agents Chemother (2010) 54: 1334-1337 [PMID:20028821]
ChEMBL Antimalarial activity against Plasmodium falciparum Dd2 F 6.02 pEC50 960 nM EC50 Antimicrob Agents Chemother (2007) 51: 759-762 [PMID:17088482]
Plasmodium vivax (target type: ORGANISM) [ChEMBL: CHEMBL613013]
ChEMBL Antimicrobial activity against Plasmodium vivax at trophozoite stage F 5.37 pIC50 4230 nM IC50 Antimicrob Agents Chemother (2008) 52: 2435-2441 [PMID:18443130]
Plasmodium yoelii yoelii (target type: ORGANISM) [ChEMBL: CHEMBL612328]
ChEMBL Antimicrobial activity against Plasmodium yoelii 265 liver infected in mammalian hepatocytes after 48 hrs F 7.45 pIC50 35.2 nM IC50 Antimicrob Agents Chemother (2008) 52: 1215-1220 [PMID:18212104]
Protease in Human immunodeficiency virus 1 (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2366517] [UniProtKB: Q9YQ12]
ChEMBL Binding affinity to Human immunodeficiency virus 1 protease by SPR biosensor interaction analysis at pH 4.1 B 8.38 pKd 4.13 nM Kd Bioorg Med Chem (2012) 20: 4838-4847 [PMID:22743085]
ChEMBL Binding affinity to Human immunodeficiency virus 1 protease by SPR biosensor interaction analysis at pH 5.1 B 9.2 pKd 0.64 nM Kd Bioorg Med Chem (2012) 20: 4838-4847 [PMID:22743085]
ChEMBL Binding affinity to Human immunodeficiency virus 1 protease by SPR biosensor interaction analysis at pH 7.4 B 9.24 pKd 0.58 nM Kd Bioorg Med Chem (2012) 20: 4838-4847 [PMID:22743085]
ChEMBL Inhibition of HIV1 protease B 8.85 pKi 1.4 nM Ki J Med Chem (2009) 52: 2163-2176 [PMID:19323561]
ChEMBL Binding affinity to wild type HIV1 protease B 9.19 pKi 0.65 nM Ki J Med Chem (2012) 55: 1424-1444 [PMID:22239221]
ChEMBL Inhibition of wild type HIV1 protease by competitive binding B 9.38 pKi 0.42 nM Ki J Med Chem (2008) 51: 6599-6603 [PMID:18808097]
ChEMBL Inhibition of HIV1 protease using fluorogenic hexapeptide substrate (2-aminobenzoyl)Thr-Ile-Nle-(p-nitro)Phe-Gln-Arg by fluorimeter B 9.66 pKi 0.22 nM Ki Medchemcomm (2011) 2: 1093-1098
ChEMBL Inhibition of HIV1 protease expressed in Escherichia coli by fluorometric assay B 9.7 pKi 0.2 nM Ki J Med Chem (2010) 53: 607-615 [PMID:19961222]
ChEMBL Inhibition of HIV1 protease B 9.86 pKi 0.14 nM Ki Bioorg Med Chem (2008) 16: 1299-1308 [PMID:17981045]
ChEMBL Inhibition of HIV1 protease B 10.1 pKi 0.08 nM Ki Antimicrob Agents Chemother (2007) 51: 4036-4043 [PMID:17638694]
ChEMBL Inhibition of wild-type HIV1 BH10 protease expressed in Escherichia coli by spectrophotometric assay B 10.4 pKi 0.04 nM Ki J Med Chem (2008) 51: 4839-4843 [PMID:18598016]
ChEMBL Inhibition of recombinant wild type HIV1 protease assessed as hydrolysis of fluorogenic substrate B 9.4 pIC50 0.4 nM IC50 J Med Chem (2010) 53: 1451-1457 [PMID:20108932]
5-HT1A receptor/Serotonin 1a (5-HT1a) receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL273] [GtoPdb: 1] [UniProtKB: P19327]
ChEMBL DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT) B 5.61 pKi 2442 nM Ki DrugMatrix in vitro pharmacology data
ChEMBL DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT) B 5.37 pIC50 4273 nM IC50 DrugMatrix in vitro pharmacology data
Organic cation transporter 1/Solute carrier family 22 member 1 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2073670] [GtoPdb: 1019] [UniProtKB: Q63089]
ChEMBL TP_TRANSPORTER: inhibition of TEA uptake (TEA: 10 uM) in OCT1-expressing HeLa cells F 5.08 pIC50 8260 nM IC50 Drug Metab Dispos (2000) 28: 329-334 [PMID:10681378]
CYP5A1/Thromboxane-A synthase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1835] [GtoPdb: 1353] [UniProtKB: P24557]
ChEMBL DRUGMATRIX: Thromboxane Synthetase enzyme inhibition (substrate: PGH2) B 5.66 pIC50 2182 nM IC50 DrugMatrix in vitro pharmacology data
V1A receptor/Vasopressin V1a receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1889] [GtoPdb: 366] [UniProtKB: P37288]
ChEMBL DRUGMATRIX: Vasopressin V1A radioligand binding (ligand: [125I] PhenylacetylTyr(Me)PheGlnAsnArgProArgTyr) B 5.15 pKi 7030 nM Ki DrugMatrix in vitro pharmacology data
ChEMBL DRUGMATRIX: Vasopressin V1A radioligand binding (ligand: [125I] PhenylacetylTyr(Me)PheGlnAsnArgProArgTyr) B 4.76 pIC50 17522 nM IC50 DrugMatrix in vitro pharmacology data

ChEMBL data shown on this page come from version 34:

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