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]
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/154V/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 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 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 constant against HIV-1 Protease B 9.64 pKi 0.23 nM Ki J Med Chem (2002) 45: 5430-5439 [PMID:12459011]
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 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 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 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 In vitro inhibition of HIV-1 protease. B 9 pIC50 1 nM IC50 Bioorg Med Chem Lett (1995) 5: 2891-2896
ChEMBL Inhibitory concentration required against HIV-1 protease B 9 pIC50 1 nM IC50 Bioorg Med Chem Lett (1995) 5: 2885-2890
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 activity against HIV-1 Protease was determined B 9.4 pIC50 <0.4 nM IC50 Bioorg Med Chem Lett (1994) 4: 2759-2762
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 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 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 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 33:

Mendez D, Gaulton A, Bento AP, Chambers J, De Veij M, Félix E, Magariños MP, Mosquera JF, Mutowo P, Nowotka M, Gordillo-Marañón M, Hunter F, Junco L, Mugumbate G, Rodriguez-Lopez M, Atkinson F, Bosc N, Radoux CJ, Segura-Cabrera A, Hersey A, Leach AR. (2019) 'ChEMBL: towards direct deposition of bioassay data' Nucleic Acids Res., 47(D1). DOI: 10.1093/nar/gky1075. [EPMCID:30398643]
Davies M, Nowotka M, Papadatos G, Dedman N, Gaulton A, Atkinson F, Bellis L, Overington JP. (2015) 'ChEMBL web services: streamlining access to drug discovery data and utilities.' Nucleic Acids Res., 43(W1). DOI: 10.1093/nar/gkv352. [EPMCID:25883136]