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ChEMBL ligand: CHEMBL38 (Aberel, Acticin, All-trans retinoic acid, All-trans-retinoic acid, Altreno, Atralin, Avita, Eudyna, Kerlocal, NSC-122758, Oristar rna, Renova, Retin a, Retin-a, Retin-a micro, Retin-a-micro, Retinoic acid, Tretinoin, Tretin-X, Vesanoid) |
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DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
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A3 receptor/Adenosine A3 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL256] [GtoPdb: 21] [UniProtKB: P0DMS8] | ||||||||
ChEMBL | DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA) | B | 5.53 | pKi | 2982 | nM | Ki | DrugMatrix in vitro pharmacology data |
ChEMBL | DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA) | B | 5.28 | pIC50 | 5275 | nM | IC50 | DrugMatrix in vitro pharmacology data |
synuclein alpha/Alpha-synuclein in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6152] [GtoPdb: 3285] [UniProtKB: P37840] | ||||||||
ChEMBL | Inhibition of alpha-synuclein fibril formation (unknown origin) incubated for 24 hrs to 7 days by thioflavin S based fluorescence assay | B | 5.52 | pIC50 | 3000 | nM | IC50 | Eur J Med Chem (2019) 167: 10-36 [PMID:30743095] |
Amyloid-beta A4 protein in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2487] [UniProtKB: P05067] | ||||||||
ChEMBL | Inhibition of amyloid beta (1 to 40) (unknown origin) incubated for 24 hrs to 7 days by thioflavin S based fluorescence assay | B | 6.74 | pIC50 | 180 | nM | IC50 | Eur J Med Chem (2019) 167: 10-36 [PMID:30743095] |
Cellular retinoic acid-binding protein I in Chicken (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4945] [UniProtKB: P40220] | ||||||||
ChEMBL | Inhibition of [3H]ATRA binding to chick skin Cytoplasmic retinoic acid binding protein | B | 6.22 | pIC50 | 600 | nM | IC50 | J Med Chem (1996) 39: 3625-3635 [PMID:8809153] |
ChEMBL | Inhibition of binding to chick skin Cytoplasmic retinoic acid binding protein | B | 6.22 | pIC50 | 600 | nM | IC50 | J Med Chem (1995) 38: 2302-2310 [PMID:7608895] |
ChEMBL | Tested for its ability to inhibit the binding of (all-E-)-RA to cytoplasmic retinoic acid-binding protein (CRABP) from chick skin | B | 6.43 | pIC50 | 370 | nM | IC50 | J Med Chem (1994) 37: 4499-4507 [PMID:7799400] |
cellular retinoic acid binding protein 1/Cellular retinoic acid-binding protein I in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3208] [GtoPdb: 2529] [UniProtKB: P62965] | ||||||||
ChEMBL | Inhibition of [3H]ATRA binding to murine Cytoplasmic retinoic acid binding protein (CRABP) type 1 | B | 9.4 | pKd | 0.4 | nM | Kd | J Med Chem (1996) 39: 3625-3635 [PMID:8809153] |
ChEMBL | Binding affinity for mouse Cytoplasmic retinoic acid binding protein type 1 | B | 9.4 | pKd | 0.4 | nM | Kd | J Med Chem (1995) 38: 2302-2310 [PMID:7608895] |
cellular retinoic acid binding protein 2/Cellular retinoic acid-binding protein II in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4172] [GtoPdb: 2530] [UniProtKB: P22935] | ||||||||
ChEMBL | Inhibition of [3H]ATRA binding to murine Cytoplasmic retinoic acid binding protein (CRABP) type 2 | B | 8.7 | pKd | 2 | nM | Kd | J Med Chem (1996) 39: 3625-3635 [PMID:8809153] |
ChEMBL | Binding affinity for mouse Cytoplasmic retinoic acid binding protein type 2 | B | 8.7 | pKd | 2 | nM | Kd | J Med Chem (1995) 38: 2302-2310 [PMID:7608895] |
GroEL/GroES in Escherichia coli (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL4106139] [UniProtKB: Q548M1, Q7BGE6] | ||||||||
ChEMBL | Inhibition of Escherichia coli GroEL expressed in Escherichia coli DH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed as reduction in GroEL/GroES-mediated denatured rhodanese refolding by measuring rhodanese enzyme activity after 45 mins by Fe(SCN)3 dye based spectrometric analysis | B | 4.68 | pIC50 | 21000 | nM | IC50 | Bioorg Med Chem Lett (2019) 29: 1106-1112 [PMID:30852084] |
ChEMBL | Inhibition of Escherichia coli GroEL expressed in Escherichia coliDH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed as reduction in GroEL/GroES-mediated denatured soluble pig heart MDH refolding by measuring MDH enzyme activity using sodium mesoxalate as substrate after 20 to 40 mins by malachite green dye based spectrometric analysis | B | 5.17 | pIC50 | 6700 | nM | IC50 | Bioorg Med Chem Lett (2019) 29: 1106-1112 [PMID:30852084] |
HSP60/HSP10 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL4106131] [UniProtKB: P10809, P61604] | ||||||||
ChEMBL | Inhibition of human N-terminal octa-His-tagged HSP60 expressed in Escherichia coli Rosetta(DE3) pLysS/human HSP10 expressed in Escherichia coli Rosetta(DE3) assessed as reduction in HSP60/HSP10-mediated denatured MDH refolding by measuring MDH enzyme activity using sodium mesoxalate as substrate after 40 to 60 mins by malachite green dye based spectrometric analysis | B | 5.28 | pIC50 | 5300 | nM | IC50 | Bioorg Med Chem Lett (2019) 29: 1106-1112 [PMID:30852084] |
indoleamine 2,3-dioxygenase 2/Indoleamine 2,3-dioxygenase 2 in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2189159] [GtoPdb: 3019] [UniProtKB: Q8R0V5] | ||||||||
ChEMBL | Inhibition of mouse Ido2 transfected in HEK293T cells using L-tryptophan as substrate assessed as kynurenine formation after 45 mins by spectrophotometric analysis | B | 4.54 | pIC50 | 28700 | nM | IC50 | Bioorg Med Chem Lett (2012) 22: 7641-7646 [PMID:23122865] |
mitogen-activated protein kinase 1/MAP kinase ERK2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4040] [GtoPdb: 1495] [UniProtKB: P28482] | ||||||||
ChEMBL | DRUGMATRIX: Protein Serine/Threonine Kinase, ERK2 enzyme inhibition (substrate: Myelin Basic Protein) | B | 6.24 | pIC50 | 576 | nM | IC50 | DrugMatrix in vitro pharmacology data |
RAR-related orphan receptor-α/Nuclear receptor ROR-alpha in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5868] [GtoPdb: 598] [UniProtKB: P35398] | ||||||||
ChEMBL | Inverse agonist activity at RORalpha (unknown origin) by M1H assay | B | 6.7 | pIC50 | 199.53 | nM | IC50 | Bioorg Med Chem Lett (2014) 24: 5265-5267 [PMID:25305688] |
RAR-related orphan receptor-β/Nuclear receptor ROR-beta in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3091268] [GtoPdb: 599] [UniProtKB: Q92753] | ||||||||
ChEMBL | Binding affinity to ROR beta (unknown origin) | B | 6.55 | pKd | 280 | nM | Kd | Medchemcomm (2013) 4: 764-776 |
GtoPdb | - | - | 6.55 | pKi | - | - | - | Nat Struct Biol (2003) 10: 820-5 [PMID:12958591] |
ChEMBL | Inverse agonist activity at recombinant N-terminally GST-tagged RORbeta ligand binding domain (unknown origin) expressed in Escherichia coli incubated for 1 hr by FRET assay | B | 4.6 | pIC50 | 25118.86 | nM | IC50 | Bioorg Med Chem Lett (2014) 24: 5265-5267 [PMID:25305688] |
ChEMBL | Inverse agonist activity at RORbeta (unknown origin) by M1H assay | B | 6.9 | pIC50 | 125.89 | nM | IC50 | Bioorg Med Chem Lett (2014) 24: 5265-5267 [PMID:25305688] |
GtoPdb | - | - | 9.82 | pIC50 | - | - | - | Nat Struct Biol (2003) 10: 820-5 [PMID:12958591] |
ChEMBL | Inhibition of ROR beta (unknown origin)-mediated transactivation | B | 9.82 | pIC50 | 0.15 | nM | IC50 | Medchemcomm (2013) 4: 764-776 |
RAR-related orphan receptor-γ/Nuclear receptor ROR-gamma in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1741186] [GtoPdb: 600] [UniProtKB: P51449] | ||||||||
ChEMBL | Inverse agonist activity at RORgammaT (unknown origin) by M1H assay | B | 6.7 | pIC50 | 199.53 | nM | IC50 | Bioorg Med Chem Lett (2014) 24: 5265-5267 [PMID:25305688] |
ChEMBL | Inverse agonist activity at human RoRc-LBD fusion protein with GST expressed in BL-21 (BL3) cells assessed as SRC1 coactivator peptide recruitment | B | 4.74 | pEC50 | 18000 | nM | EC50 | J Med Chem (2014) 57: 5871-5892 [PMID:24502334] |
peptidylprolyl cis/trans isomerase, NIMA-interacting 1/Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2288] [GtoPdb: 3171] [UniProtKB: Q13526] | ||||||||
ChEMBL | Binding affinity to Pin1 (unknown origin) preincubated for 2 hrs followed by UV irradiation for 15 mins by SDS-PAGE gel based photoaffinity labelling method | B | 6.1 | pKd | 800 | nM | Kd | J Med Chem (2020) 63: 13355-13388 [PMID:32786507] |
ChEMBL | Binding affinity to Pin1 (unknown origin) | B | 6.1 | pKd | 800 | nM | Kd | J Med Chem (2016) 59: 9622-9644 [PMID:27409354] |
ChEMBL | Inhibition of GST-tagged Pin1 (unknown origin) using Suc-Ala-pSer-Pro-Phe-pNA, Suc-Ala-Glu-Pro-Phe-pNA or Suc-Ala-Ala-Pro-Phe-pNA as substrate preincubated with enzyme for 0.5 to 2 hrs followed by substrate addition by chymotrypsin coupled assay | B | 6.09 | pKi | 820 | nM | Ki | Bioorg Med Chem (2021) 29: 115878-115878 [PMID:33246256] |
ChEMBL | Inhibition of human N-terminal His6-tagged Pin1 PPIase activity expressed in Escherichia coli BL21 using Suc-Ala-Glu-cis-Pro-Phe-4-nitroanilide as substrate preincubated for 10 mins followed by substrate addition monitored for 90 secs by protease enzyme coupled based spectrophotometric analysis | B | 6.09 | pIC50 | 820 | nM | IC50 | Bioorg Med Chem (2018) 26: 2186-2197 [PMID:29576270] |
Plasmodium falciparum (target type: ORGANISM) [ChEMBL: CHEMBL364] | ||||||||
ChEMBL | Antiplasmodial activity against Plasmodium falciparum W2 after 72 hrs by SYBR green assay | F | 4.9 | pIC50 | 12589.25 | nM | IC50 | Nat Chem Biol (2009) 5: 765-771 [PMID:19734910] |
ChEMBL | Antiplasmodial activity against Plasmodium falciparum 7G8 after 72 hrs by SYBR green assay | F | 4.9 | pIC50 | 12589.25 | nM | IC50 | Nat Chem Biol (2009) 5: 765-771 [PMID:19734910] |
ChEMBL | Antiplasmodial activity against Plasmodium falciparum HB3 after 72 hrs by SYBR green assay | F | 5 | pIC50 | 10000 | nM | IC50 | Nat Chem Biol (2009) 5: 765-771 [PMID:19734910] |
Retinoic acid receptor-α/Retinoic acid receptor alpha in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2055] [GtoPdb: 590] [UniProtKB: P10276] | ||||||||
ChEMBL | In vitro binding affinity for Retinoic acid receptor RAR alpha | B | 7.8 | pKd | 16 | nM | Kd | J Med Chem (1999) 42: 4961-4969 [PMID:10585206] |
ChEMBL | Inhibition of [3H]RA binding to retinoic acid receptor RAR alpha | B | 7.82 | pKd | 15 | nM | Kd | Bioorg Med Chem Lett (1999) 9: 589-594 [PMID:10098670] |
ChEMBL | Binding affinity for Retinoic acid receptor alpha | B | 7.82 | pKd | 15 | nM | Kd | Bioorg Med Chem Lett (1997) 7: 2373-2378 |
ChEMBL | Binding affinity for baculovirus-expressed Retinoic acid receptor RAR alpha | B | 7.82 | pKd | 15 | nM | Kd | J Med Chem (1996) 39: 3035-3038 [PMID:8759622] |
ChEMBL | Inhibition of [3H]ATRA binding to human Retinoic acid receptor RAR alpha | B | 7.82 | pKd | 15 | nM | Kd | Bioorg Med Chem Lett (2003) 13: 261-264 [PMID:12482435] |
ChEMBL | Inhibition of [3H]ATRA binding to baculovirus expressed Retinoic acid receptor RAR alpha | B | 7.82 | pKd | 15 | nM | Kd | J Med Chem (1996) 39: 5027-5030 [PMID:8978832] |
ChEMBL | Compound was tested for binding affinity against retinoic acid receptor using 5 nM of [3H]RA as a radioligand in baculovirus expressed receptor | B | 7.82 | pKd | 15 | nM | Kd | Bioorg Med Chem Lett (1996) 6: 213-218 |
ChEMBL | Ability to displace 3[H](all-E)-retinoic acid (5 nM) from alpha retinoic acid receptor (alpha RAR) using transactivation assay | B | 7.82 | pKd | 15 | nM | Kd | Bioorg Med Chem Lett (1999) 9: 573-576 [PMID:10098666] |
ChEMBL | Binding affinity towards retinoic acid receptor alpha was determined using [3H]ATRA (5 nM) as radioligand | B | 7.85 | pKd | 14 | nM | Kd | Bioorg Med Chem Lett (2001) 11: 765-768 [PMID:11277515] |
ChEMBL | Binding affinity fo retinoic acid receptor RAR alpha | B | 7.85 | pKd | 14 | nM | Kd | Bioorg Med Chem Lett (2002) 12: 3145-3148 [PMID:12372520] |
ChEMBL | Apparent binding constant against Retinoic acid receptor alpha in HeLa cell GAl-4 transactivation assay | B | 8.64 | pKd | 2.3 | nM | Kd | J Med Chem (1996) 39: 2411-2421 [PMID:8691435] |
GtoPdb | - | - | 9.4 | pKd | - | - | - |
Proc Natl Acad Sci USA (1993) 90: 30-4 [PMID:8380496]; Mol Cell Biol (1994) 14: 287-98 [PMID:8264595]; J Mol Biol (2000) 302: 155-70 [PMID:10964567]; Mol Cell Biol (1995) 15: 3540-51 [PMID:7791761]; Curr Pharm Des (2000) 6: 25-58 [PMID:10637371] |
ChEMBL | Inhibition of [3H]ATRA binding to Retinoic acid receptor RAR alpha | B | 6.73 | pKi | 187 | nM | Ki | J Med Chem (1996) 39: 2659-2663 [PMID:8709094] |
ChEMBL | Binding affinity to retinoic acid receptor alpha using [3H]CD 367 as radioligand | B | 7.8 | pKi | 16 | nM | Ki | J Med Chem (1995) 38: 4993-5006 [PMID:8544175] |
ChEMBL | Agonistic activity towards retinoic acid receptor-alpha | F | 8.48 | pKi | 3.3 | nM | Ki | J Med Chem (1997) 40: 4222-4234 [PMID:9435893] |
ChEMBL | Binding affinity towards human Retinoic acid receptor alpha | B | 10 | pKi | 0.1 | nM | Ki | Bioorg Med Chem Lett (1997) 7: 2313-2318 |
ChEMBL | Displacement of [11,12-3H]ARTA from RARalpha | B | 5.05 | pIC50 | 9000 | nM | IC50 | J Med Chem (2004) 47: 6716-6729 [PMID:15615521] |
ChEMBL | Binding affinity against retinoic Acid alpha receptor using [3H]- -9-cis-Retinoic Acid in competitive binding assay | B | 7.82 | pIC50 | 15 | nM | IC50 | J Med Chem (1994) 37: 408-414 [PMID:8308867] |
ChEMBL | Binding affinity for Retinoic acid receptor alpha | B | 9.05 | pIC50 | 0.89 | nM | IC50 | Bioorg Med Chem Lett (2000) 10: 623-625 [PMID:10762039] |
ChEMBL | Inhibition of [3H]ATRA-Hl60 binding to Retinoic acid receptor alpha | B | 9.11 | pIC50 | 0.78 | nM | IC50 | Bioorg Med Chem Lett (2000) 10: 619-622 [PMID:10762038] |
ChEMBL | Transcriptional activation in CV-1 cells expressing Retinoic acid receptor RAR alpha | F | 6.25 | pEC50 | 563 | nM | EC50 | J Med Chem (1996) 39: 2659-2663 [PMID:8709094] |
ChEMBL | Transcriptional activation in CV-1 cells expressing Retinoic acid receptor RAR alpha | B | 6.34 | pEC50 | 459 | nM | EC50 | J Med Chem (1996) 39: 5027-5030 [PMID:8978832] |
ChEMBL | Transcriptional activation in CV-1 cells expressing human Retinoic acid receptor RAR alpha | B | 6.36 | pEC50 | 436 | nM | EC50 | Bioorg Med Chem Lett (2003) 13: 261-264 [PMID:12482435] |
ChEMBL | Transactivation potency for Retinoic acid receptor alpha | B | 6.46 | pEC50 | 350 | nM | EC50 | Bioorg Med Chem Lett (1997) 7: 2373-2378 |
ChEMBL | Transcriptional activation of Retinoic acid receptor RAR alpha | B | 6.46 | pEC50 | 350 | nM | EC50 | J Med Chem (1996) 39: 3556-3563 [PMID:8784454] |
ChEMBL | Binding affinity against retinoic Acid alpha receptors co-transfected into CV-1 cells | B | 6.46 | pEC50 | 350 | nM | EC50 | J Med Chem (1994) 37: 408-414 [PMID:8308867] |
ChEMBL | Agonist activity for retinoic acid receptor RAR alpha in transcriptional activation assay | F | 6.46 | pEC50 | 350 | nM | EC50 | Bioorg Med Chem Lett (1995) 5: 2729-2734 |
ChEMBL | Agonist activity RARalpha (unknown origin) assessed as induction of receptor transactivation | B | 6.62 | pEC50 | 240 | nM | EC50 | J Med Chem (2019) 62: 2112-2126 [PMID:30702885] |
ChEMBL | Ability to inhibit TTNPB-induced transactivation at retinoic acid receptor alpha | B | 6.62 | pEC50 | 240 | nM | EC50 | Bioorg Med Chem Lett (2001) 11: 765-768 [PMID:11277515] |
ChEMBL | Effective concentration for retinoic acid receptor RAR alpha transcriptional activation | F | 6.62 | pEC50 | 240 | nM | EC50 | Bioorg Med Chem Lett (2002) 12: 3145-3148 [PMID:12372520] |
ChEMBL | Activation of RXRalpha (unknown origin) by CAT reporter gene assay | B | 7.3 | pEC50 | 50 | nM | EC50 | Bioorg Med Chem (2013) 21: 4342-4350 [PMID:23685180] |
ChEMBL | Effective concentration against RAR-alpha receptor | B | 7.57 | pEC50 | 27 | nM | EC50 | J Med Chem (1993) 36: 2605-2613 [PMID:8410972] |
ChEMBL | Activity at human RARalpha ligand binding domain expressed in COS7 cells co-transfected with Gal4-DBD assessed as transcriptional activation after 16 hrs by Gal4 response element-driven luciferase reporter gene assay | B | 7.77 | pEC50 | 17 | nM | EC50 | Bioorg Med Chem Lett (2009) 19: 489-492 [PMID:19058965] |
GtoPdb | - | - | 7.77 | pEC50 | 17 | nM | EC50 | Bioorg Med Chem Lett (2009) 19: 489-92 [PMID:19058965] |
ChEMBL | Transactivation of GST-tagged RARalpha LBD (unknown origin) assessed as fluorescein-labelled coactivator peptide recruitment measured after 4 hrs by TR-FRET analysis | B | 7.79 | pEC50 | 16.1 | nM | EC50 | Bioorg Med Chem (2018) 26: 1560-1572 [PMID:29439915] |
ChEMBL | Transcriptional activation in CV-1 cells expressing Retinoic acid receptor RAR alpha | F | 8.15 | pEC50 | 7 | nM | EC50 | J Med Chem (1995) 38: 4764-4767 [PMID:7490725] |
ChEMBL | Compound was tested for functional activity in CV-1 cells transfected with an expression vector for retinoic acid receptor alpha using transactivation assay | B | 8.15 | pEC50 | 7 | nM | EC50 | Bioorg Med Chem Lett (1996) 6: 213-218 |
ChEMBL | Activity at RARalpha expressed in mouse NIH3T3 cells by R-SAT assay | B | 8.2 | pEC50 | 6.31 | nM | EC50 | J Med Chem (2009) 52: 1540-1545 [PMID:19239230] |
ChEMBL | Transcriptional activation of retinoic acid receptor RAR alpha | B | 8.3 | pEC50 | 5 | nM | EC50 | Bioorg Med Chem Lett (1995) 5: 523-527 |
ChEMBL | Transcriptional activation of Retinoic acid receptor RAR alpha | B | 8.3 | pEC50 | 5 | nM | EC50 | J Med Chem (1995) 38: 2820-2829 [PMID:7636843] |
ChEMBL | Transcriptional activation for RAR alpha receptor | B | 8.3 | pEC50 | 5 | nM | EC50 | Bioorg Med Chem Lett (1994) 4: 1447-1452 |
ChEMBL | Transcriptional activation of Retinoic acid receptor RAR alpha | F | 8.3 | pEC50 | 5 | nM | EC50 | J Med Chem (1999) 42: 4961-4969 [PMID:10585206] |
ChEMBL | Transactivation of human Gal4-DBD-fused RARalpha-LBD expressed in HEK293T cells after 16 to 24 hrs by FRET based beta-lactamase reporter gene assay | B | 9 | pEC50 | 1.01 | nM | EC50 | Bioorg Med Chem (2018) 26: 798-814 [PMID:29288071] |
Retinoic acid receptor-α/Retinoic acid receptor alpha in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2792] [GtoPdb: 590] [UniProtKB: P11416] | ||||||||
ChEMBL | Dissociation constant for binding to Retinoic acid receptor alpha | B | 7.82 | pKd | 15 | nM | Kd | J Med Chem (1996) 39: 3556-3563 [PMID:8784454] |
ChEMBL | Inhibition of [3H]ATRA binding to mouse Retinoic acid receptor RAR alpha | B | 8.22 | pIC50 | 6 | nM | IC50 | J Med Chem (1996) 39: 3625-3635 [PMID:8809153] |
ChEMBL | Inhibition of binding to retinoid A receptor RAR alpha | B | 8.22 | pIC50 | 6 | nM | IC50 |