isotretinoin [Ligand Id: 7600] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL547 (RO-4-3780, Retinoic acid 13-cis-form, Accutane, Myorisan, Claravis, Roaccutane, PAT-001, Absorica ld, Sotret, Absorica, RO 4-3780, Amnesteem, Isotrex, Isotretinoin, RO-43780, 13 Cis-Retinoic Acid, Zenatane)
  • A3 receptor/Adenosine A3 receptor in Human [ChEMBL: CHEMBL256] [GtoPdb: 21] [UniProtKB: P0DMS8]
  • This target only has 1 pki data point
  • 5.63
1 CHEMBL547_lig_chart_1 Adenosine A3 receptor Human
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  • α2B-adrenoceptor/Alpha-2b adrenergic receptor in Human [ChEMBL: CHEMBL1942] [GtoPdb: 26] [UniProtKB: P18089]
  • This target only has 1 pki data point
  • 5.52
2 CHEMBL547_lig_chart_2 Alpha-2b adrenergic receptor Human
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  • Cellular retinoic acid-binding protein I in Chicken [ChEMBL: CHEMBL4945] [UniProtKB: P40220]
  • cellular retinoic acid binding protein 1/Cellular retinoic acid-binding protein I in Mouse [ChEMBL: CHEMBL3208] [GtoPdb: 2529] [UniProtKB: P62965]
  • This target only has 0 pki data point
  • 0
3 CHEMBL547_lig_chart_3 Cellular retinoic acid-binding protein I ChickenMouse
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  • cellular retinoic acid binding protein 2/Cellular retinoic acid-binding protein II in Mouse [ChEMBL: CHEMBL4172] [GtoPdb: 2530] [UniProtKB: P22935]
  • This target only has 0 pki data point
  • 0
4 CHEMBL547_lig_chart_4 Cellular retinoic acid-binding protein II Mouse
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  • mitogen-activated protein kinase 1/MAP kinase ERK2 in Human [ChEMBL: CHEMBL4040] [GtoPdb: 1495] [UniProtKB: P28482]
  • This target only has 0 pki data point
  • 0
5 CHEMBL547_lig_chart_5 MAP kinase ERK2 Human
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  • mitogen-activated protein kinase 14/MAP kinase p38 alpha in Human [ChEMBL: CHEMBL260] [GtoPdb: 1499] [UniProtKB: Q16539]
  • This target only has 0 pki data point
  • 0
6 CHEMBL547_lig_chart_6 MAP kinase p38 alpha Human
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  • Olfactory receptor 51E2 in Human [ChEMBL: CHEMBL4523454] [UniProtKB: Q9H255]
  • This target only has 0 pki data point
  • 0
7 CHEMBL547_lig_chart_7 Olfactory receptor 51E2 Human
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  • Plasmodium falciparum [ChEMBL: CHEMBL364]
  • This target only has 0 pki data point
  • 0
8 CHEMBL547_lig_chart_8 Plasmodium falciparum Plasmodium falciparum
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  • Retinoic acid receptor-α/Retinoic acid receptor alpha in Mouse [ChEMBL: CHEMBL2792] [GtoPdb: 590] [UniProtKB: P11416]
  • This target only has 0 pki data point
  • 0
9 CHEMBL547_lig_chart_9 Retinoic acid receptor alpha Mouse
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  • Retinoic acid receptor-β/Retinoic acid receptor beta in Mouse [ChEMBL: CHEMBL3266] [GtoPdb: 591] [UniProtKB: P22605]
  • This target only has 0 pki data point
  • 0
10 CHEMBL547_lig_chart_10 Retinoic acid receptor beta Mouse
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  • Retinoic acid receptor-γ/Retinoic acid receptor gamma in Mouse [ChEMBL: CHEMBL4177] [GtoPdb: 592] [UniProtKB: P18911]
  • This target only has 0 pki data point
  • 0
11 CHEMBL547_lig_chart_11 Retinoic acid receptor gamma Mouse
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  • Retinoid X receptor-α/Retinoid X receptor alpha in Mouse [ChEMBL: CHEMBL3084] [GtoPdb: 610] [UniProtKB: P28700]
  • This target only has 0 pki data point
  • 0
12 CHEMBL547_lig_chart_12 Retinoid X receptor alpha Mouse
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  • Retinoid X receptor-β/Retinoid X receptor beta in Mouse [ChEMBL: CHEMBL4047] [GtoPdb: 611] [UniProtKB: P28704]
  • This target only has 0 pki data point
  • 0
13 CHEMBL547_lig_chart_13 Retinoid X receptor beta Mouse
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  • Retinoid X receptor-γ/Retinoid X receptor gamma in Mouse [ChEMBL: CHEMBL4402] [GtoPdb: 612] [UniProtKB: P28705]
  • This target only has 0 pki data point
  • 0
14 CHEMBL547_lig_chart_14 Retinoid X receptor gamma Mouse
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  • 5-HT2B receptor/Serotonin 2b (5-HT2b) receptor in Human [ChEMBL: CHEMBL1833] [GtoPdb: 7] [UniProtKB: P41595]
  • This target only has 1 pki data point
  • 6.27
15 CHEMBL547_lig_chart_15 Serotonin 2b (5-HT2b) receptor Human
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
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 5.63 pKi 2357 nM Ki DrugMatrix in vitro pharmacology data
ChEMBL DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA) B 5.38 pIC50 4169 nM IC50 DrugMatrix in vitro pharmacology data
α2B-adrenoceptor/Alpha-2b adrenergic receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1942] [GtoPdb: 26] [UniProtKB: P18089]
ChEMBL DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine) B 5.52 pKi 3019 nM Ki DrugMatrix in vitro pharmacology data
ChEMBL DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine) B 5.18 pIC50 6612 nM IC50 DrugMatrix in vitro pharmacology data
Cellular retinoic acid-binding protein I in Chicken (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4945] [UniProtKB: P40220]
ChEMBL Tested for its ability to inhibit the binding of (all-E-)-RA to cytoplasmic retinoic acid-binding protein (CRABP) from chick skin B 6.05 pIC50 900 nM IC50 J. Med. Chem. (1994) 37: 4499-4507 [PMID:7799400]
ChEMBL Inhibition of binding to chick skin Cytoplasmic retinoic acid binding protein B 6.05 pIC50 900 nM IC50 J. Med. Chem. (1995) 38: 2302-2310 [PMID:7608895]
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 Binding affinity for mouse Cytoplasmic retinoic acid binding protein type 1 B 6.7 pKd >200 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 Binding affinity for mouse Cytoplasmic retinoic acid binding protein type 2 B 6.7 pKd >200 nM Kd J. Med. Chem. (1995) 38: 2302-2310 [PMID:7608895]
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 6.34 pIC50 462 nM IC50 DrugMatrix in vitro pharmacology data
mitogen-activated protein kinase 14/MAP kinase p38 alpha in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL260] [GtoPdb: 1499] [UniProtKB: Q16539]
ChEMBL DRUGMATRIX: Protein Serine/Threonine Kinase, p38alpha enzyme inhibition (substrate: Myelin Basic Protein) B 5.6 pIC50 2529 nM IC50 DrugMatrix in vitro pharmacology data
Olfactory receptor 51E2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4523454] [UniProtKB: Q9H255]
ChEMBL Antagonist activity at PSGR/OR51E2 (unknown origin) expressed in human Hana3A cells co-transfected with CRE-Luc by luciferase reporter gene assay B 6.8 pIC50 160 nM IC50 US-20180116992-A1. Modulators of Prostate-Specific G-Protein Receptor (PSGR/OR51E2) and Methods of Using Same (null)
Plasmodium falciparum (target type: ORGANISM) [ChEMBL: CHEMBL364]
ChEMBL Antiplasmodial activity against Plasmodium falciparum Dd2 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 D10 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 3D7 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 GB4 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 W2 after 72 hrs by SYBR green assay F 5 pIC50 10000 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]
ChEMBL Antiplasmodial activity against Plasmodium falciparum 7G8 after 72 hrs by SYBR green assay F 5.1 pIC50 7943.28 nM IC50 Nat. Chem. Biol. (2009) 5: 765-771 [PMID:19734910]
Retinoic acid receptor-α/Retinoic acid receptor alpha in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2792] [GtoPdb: 590] [UniProtKB: P11416]
ChEMBL Inhibition of murine Retinoic acid receptor RAR alpha B 6 pIC50 >1000 nM IC50 J. Med. Chem. (1995) 38: 2302-2310 [PMID:7608895]
Retinoic acid receptor-β/Retinoic acid receptor beta in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3266] [GtoPdb: 591] [UniProtKB: P22605]
ChEMBL Inhibition of murine Retinoic acid receptor RAR beta B 6 pIC50 >1000 nM IC50 J. Med. Chem. (1995) 38: 2302-2310 [PMID:7608895]
Retinoic acid receptor-γ/Retinoic acid receptor gamma in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4177] [GtoPdb: 592] [UniProtKB: P18911]
ChEMBL Inhibition of binding to murine Retinoic acid receptor RAR gamma B 6 pIC50 >1000 nM IC50 J. Med. Chem. (1995) 38: 2302-2310 [PMID:7608895]
Retinoid X receptor-α/Retinoid X receptor alpha in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3084] [GtoPdb: 610] [UniProtKB: P28700]
ChEMBL Inhibition of binding to murine Retinoid X receptor RXR alpha B 4.3 pIC50 >50000 nM IC50 J. Med. Chem. (1995) 38: 2302-2310 [PMID:7608895]
Retinoid X receptor-β/Retinoid X receptor beta in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4047] [GtoPdb: 611] [UniProtKB: P28704]
ChEMBL Inhibition of binding to murine Retinoid X receptor RXR beta B 4.3 pIC50 >50000 nM IC50 J. Med. Chem. (1995) 38: 2302-2310 [PMID:7608895]
Retinoid X receptor-γ/Retinoid X receptor gamma in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4402] [GtoPdb: 612] [UniProtKB: P28705]
ChEMBL Inhibition of binding to murine Retinoid X receptor RXR gamma B 4.3 pIC50 >50000 nM IC50 J. Med. Chem. (1995) 38: 2302-2310 [PMID:7608895]
5-HT2B receptor/Serotonin 2b (5-HT2b) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1833] [GtoPdb: 7] [UniProtKB: P41595]
ChEMBL DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide) B 6.27 pKi 540 nM Ki DrugMatrix in vitro pharmacology data
ChEMBL DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide) B 6.07 pIC50 848 nM IC50 DrugMatrix in vitro pharmacology data

ChEMBL data shown on this page come from version 28:

Gaulton A, Hersey A, Nowotka M, Bento AP, Chambers J, Mendez D, Mutowo P, Atkinson F, Bellis LJ, CibriƔn-Uhalte E, Davies M, Dedman N, Karlsson A, MagariƱos MP, Overington JP, Papadatos G, Smit I, Leach AR. (2017) 'The ChEMBL database in 2017.' Nucleic Acids Res., 45(D1). DOI: 10.1093/nar/gkw1074. [PMCID:5210557]