BindingDB PrimarySearch

BDBM151585 US8987315, Ketoconazole::US9180183, Ketoconazole::US9271963, Ketoconazole::US9394290, KTZ (ketoconazole)::US9963439, Ketoconazole

SMILES: CC(=O)N1CCN(CC1)c1ccc(OCC2COC(Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1

InChI Key: InChIKey=XMAYWYJOQHXEEK-UHFFFAOYSA-N

Data: 2 KI 48 IC50

PDB links: 2 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 50 hits for monomerid = 151585
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
P-glycoprotein 1 and 3 (MDR1a/MDR1b) (Mus musculus)	BDBM151585 (US8987315, Ketoconazole \| US9180183, Ketoconazole ...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Similars	Article PubMed	6.93E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description TP_TRANSPORTER: increase in Calcein-AM intracellular accumulation in mdr1b-expressing LLC-PK1 cells				J Pharmacol Exp Ther 303: 323-32 (2002) Article DOI: 10.1124/jpet.102.037549 BindingDB Entry DOI: 10.7270/Q2NZ8BH2
St. Jude Children's Research Hospital Curated by ChEMBL					More data for this Ligand-Target Pair
P-glycoprotein 1 and 3 (MDR1a/MDR1b) (Mus musculus (Mouse))	BDBM151585 (US8987315, Ketoconazole \| US9180183, Ketoconazole ...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Similars	Article PubMed	1.28E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description TP_TRANSPORTER: increase in Calcein-AM intracellular accumulation in mdr1a-expressing LLC-PK1 cells				J Pharmacol Exp Ther 303: 323-32 (2002) Article DOI: 10.1124/jpet.102.037549 BindingDB Entry DOI: 10.7270/Q2NZ8BH2
St. Jude Children's Research Hospital Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM151585 (US8987315, Ketoconazole \| US9180183, Ketoconazole ...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Similars	DrugBank US Patent	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Innocrin Pharmaceuticals, Inc. US Patent					Assay Description Solutions of each test compound were separately prepared at concentrations of 20000, 6000, 2000, 600, 200, and 60 uM by serial dilution with DMSO:MeC...				US Patent US8987315 (2015) BindingDB Entry DOI: 10.7270/Q2R78CZ0
Innocrin Pharmaceuticals, Inc. US Patent					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM151585 (US8987315, Ketoconazole \| US9180183, Ketoconazole ...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Similars	DrugBank PDB US Patent	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Innocrin Pharmaceuticals, Inc. US Patent					Assay Description Solutions of each test compound were separately prepared at concentrations of 20000, 6000, 2000, 600, 200, and 60 uM by serial dilution with DMSO:MeC...				US Patent US8987315 (2015) BindingDB Entry DOI: 10.7270/Q2R78CZ0
Innocrin Pharmaceuticals, Inc. US Patent					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM151585 (US8987315, Ketoconazole \| US9180183, Ketoconazole ...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Similars	DrugBank PDB US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Telormedix SA US Patent					Assay Description The interaction of SC12 with cytochrome P450 enzymes was tested using Fluorescent High Throughput P450 assays (Gentest); The IC50s of the compounds w...				US Patent US9173935 (2015) BindingDB Entry DOI: 10.7270/Q2JS9P8S
Telormedix SA US Patent					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 3A5 (CYP3A5) (Homo sapiens (Human))	BDBM151585 (US8987315, Ketoconazole \| US9180183, Ketoconazole ...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Telormedix SA US Patent					Assay Description The interaction of SC12 with cytochrome P450 enzymes was tested using Fluorescent High Throughput P450 assays (Gentest); The IC50s of the compounds w...				US Patent US9173935 (2015) BindingDB Entry DOI: 10.7270/Q2JS9P8S
Telormedix SA US Patent					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM151585 (US8987315, Ketoconazole \| US9180183, Ketoconazole ...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Similars	DrugBank PDB US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	37
Telormedix SA US Patent					Assay Description The interaction of SC12 with cytochrome P450 enzymes was tested using Fluorescent High Throughput P450 assays (Gentest); The IC50s of the compounds w...				US Patent US9180183 (2015) BindingDB Entry DOI: 10.7270/Q2B27T2W
Telormedix SA US Patent					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 3A5 (Homo sapiens (Human))	BDBM151585 (US8987315, Ketoconazole \| US9180183, Ketoconazole ...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	37
Telormedix SA US Patent					Assay Description The interaction of SC12 with cytochrome P450 enzymes was tested using Fluorescent High Throughput P450 assays (Gentest); The IC50s of the compounds w...				US Patent US9180183 (2015) BindingDB Entry DOI: 10.7270/Q2B27T2W
Telormedix SA US Patent					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM151585 (US8987315, Ketoconazole \| US9180183, Ketoconazole ...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Similars	DrugBank US Patent	n/a	n/a	224	n/a	n/a	n/a	n/a	n/a	37
UNIVERSITAT DES SAARLANDES US Patent					Assay Description V79 MZh11B1 and V79 MZh 11B2 cells (8˙10^5 cells per well) were grown to confluency on 24-well cell culture plates with 1.9 cm^2 culture area per...				US Patent US9271963 (2016) BindingDB Entry DOI: 10.7270/Q2445KBN
UNIVERSITAT DES SAARLANDES US Patent					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM151585 (US8987315, Ketoconazole \| US9180183, Ketoconazole ...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Similars	DrugBank US Patent	n/a	n/a	224	n/a	n/a	n/a	n/a	n/a	37
UNIVERSITAT DES SAARLANDES US Patent					Assay Description V79 MZh11B1 and V79 MZh 11B2 cells (8˙10^5 cells per well) were grown to confluency on 24-well cell culture plates with 1.9 cm^2 culture area per...				US Patent US9271963 (2016) BindingDB Entry DOI: 10.7270/Q2445KBN
UNIVERSITAT DES SAARLANDES US Patent					More data for this Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2) (Homo sapiens (Human))	BDBM151585 (US8987315, Ketoconazole \| US9180183, Ketoconazole ...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	81	n/a	n/a	n/a	n/a	n/a	37
UNIVERSITAT DES SAARLANDES US Patent					Assay Description V79 MZh11B1 and V79 MZh 11B2 cells (8˙10^5 cells per well) were grown to confluency on 24-well cell culture plates with 1.9 cm^2 culture area per...				US Patent US9271963 (2016) BindingDB Entry DOI: 10.7270/Q2445KBN
UNIVERSITAT DES SAARLANDES US Patent					More data for this Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2) (Homo sapiens (Human))	BDBM151585 (US8987315, Ketoconazole \| US9180183, Ketoconazole ...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	81	n/a	n/a	n/a	n/a	n/a	37
UNIVERSITAT DES SAARLANDES US Patent					Assay Description V79 MZh11B1 and V79 MZh 11B2 cells (8˙10^5 cells per well) were grown to confluency on 24-well cell culture plates with 1.9 cm^2 culture area per...				US Patent US9271963 (2016) BindingDB Entry DOI: 10.7270/Q2445KBN
UNIVERSITAT DES SAARLANDES US Patent					More data for this Ligand-Target Pair
Cytochrome P450 17A1 (Homo sapiens (Human))	BDBM151585 (US8987315, Ketoconazole \| US9180183, Ketoconazole ...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	80.5	n/a	n/a	n/a	n/a	7.4	37
UNIVERSITAT DES SAARLANDES US Patent					Assay Description A solution of 6.25 nmol of progesterone (in 5 μl of MeOH) was dissolved in 140 μl of phosphate buffer (0.05 M; pH 7.4; 1 mM MgCl2; 0.1 mM EDTA ...				US Patent US9271963 (2016) BindingDB Entry DOI: 10.7270/Q2445KBN
UNIVERSITAT DES SAARLANDES US Patent					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM151585 (US8987315, Ketoconazole \| US9180183, Ketoconazole ...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Similars	DrugBank US Patent	n/a	n/a	127	n/a	n/a	n/a	n/a	n/a	37
UNIVERSITAET DES SAARLANDES CAMPUS SAARBRUECKEN US Patent					Assay Description V79MZ cells expressing human CYP11B1 and human CYP11B2 genes, respectively, were grown on 24-well cell culture plates (8×10^5 cells per well) w...				US Patent US9394290 (2016) BindingDB Entry DOI: 10.7270/Q24T6H86
UNIVERSITAET DES SAARLANDES CAMPUS SAARBRUECKEN US Patent					More data for this Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2) (Homo sapiens (Human))	BDBM151585 (US8987315, Ketoconazole \| US9180183, Ketoconazole ...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	37
UNIVERSITAET DES SAARLANDES CAMPUS SAARBRUECKEN US Patent					Assay Description V79MZ cells expressing human CYP11B1 and human CYP11B2 genes, respectively, were grown on 24-well cell culture plates (8×10^5 cells per well) w...				US Patent US9394290 (2016) BindingDB Entry DOI: 10.7270/Q24T6H86
UNIVERSITAET DES SAARLANDES CAMPUS SAARBRUECKEN US Patent					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM151585 (US8987315, Ketoconazole \| US9180183, Ketoconazole ...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Similars	DrugBank PDB US Patent	n/a	n/a	20	n/a	n/a	n/a	n/a	7.4	n/a
NMMLSC US Patent					Assay Description Specific aspects of the incubation conditions for each assay (e.g., protein concentration, incubation time, etc.) are defined in Walsky & Obach, 2004...				US Patent US9688624 (2017) BindingDB Entry DOI: 10.7270/Q2416V6H
NMMLSC US Patent					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM151585 (US8987315, Ketoconazole \| US9180183, Ketoconazole ...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Similars	DrugBank PDB US Patent	n/a	n/a	20	n/a	n/a	n/a	n/a	7.4	n/a
NMMLSC US Patent					Assay Description Specific aspects of the incubation conditions for each assay (e.g., protein concentration, incubation time, etc.) are defined in Walsky & Obach, 2004...				US Patent US9688624 (2017) BindingDB Entry DOI: 10.7270/Q2416V6H
NMMLSC US Patent					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM151585 (US8987315, Ketoconazole \| US9180183, Ketoconazole ...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	133	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of human Cyp3A4 using testosterone as substrate by LC-MS/MS analysis				Bioorg Med Chem Lett 26: 5825-5829 (2016) Article DOI: 10.1016/j.bmcl.2016.10.016 BindingDB Entry DOI: 10.7270/Q2X63PW4
Temple University School of Pharmacy Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 17A1 (Homo sapiens (Human))	BDBM151585 (US8987315, Ketoconazole \| US9180183, Ketoconazole ...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of recombinant CYP17 (unknown origin) overexpressed in human AD293 cells using [21-3H]17alpha-hydroxyl-pregenolone as substrate preincubat...				Bioorg Med Chem Lett 26: 5825-5829 (2016) Article DOI: 10.1016/j.bmcl.2016.10.016 BindingDB Entry DOI: 10.7270/Q2X63PW4
Temple University School of Pharmacy Curated by ChEMBL					More data for this Ligand-Target Pair
Solute carrier family 22 member 1 (Homo sapiens (Human))	BDBM151585 (US8987315, Ketoconazole \| US9180183, Ketoconazole ...) Show SMILES Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human OCT1 expressed in HEK293 cells assessed as decrease in uptake of ASP+ after 2 mins by fluorescence assay				J Med Chem 60: 2685-2696 (2017) Article DOI: 10.1021/acs.jmedchem.6b01317 BindingDB Entry DOI: 10.7270/Q2NV9MHQ
University of California Curated by ChEMBL					More data for this Ligand-Target Pair
Bile salt export pump (Homo sapiens (Human))	BDBM151585 (US8987315, Ketoconazole \| US9180183, Ketoconazole ...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human BSEP expressed in baculovirus infected sf9 cell plasma membrane vesicles assessed as reduction in ATP-dependent [3H]-...				Hepatology 60: 1015-22 (2014) Article DOI: 10.1002/hep.27206 BindingDB Entry DOI: 10.7270/Q2TF00N2
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM151585 (US8987315, Ketoconazole \| US9180183, Ketoconazole ...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Global Blood Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of CYP3A4 using in human liver microsomes using testosterone as substrate after 5 to 15 mins				ACS Med Chem Lett 8: 321-326 (2017) Article DOI: 10.1021/acsmedchemlett.6b00491 BindingDB Entry DOI: 10.7270/Q21J9D2Q
Global Blood Therapeutics, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM151585 (US8987315, Ketoconazole \| US9180183, Ketoconazole ...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Global Blood Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of CYP3A4 using in human liver microsomes using midazolam as substrate after 5 to 15 mins				ACS Med Chem Lett 8: 321-326 (2017) Article DOI: 10.1021/acsmedchemlett.6b00491 BindingDB Entry DOI: 10.7270/Q21J9D2Q
Global Blood Therapeutics, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Bile salt export pump (Homo sapiens (Human))	BDBM151585 (US8987315, Ketoconazole \| US9180183, Ketoconazole ...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane vesicles assessed as reduction in vesicle-associated [3H]-taurocholate t...				Toxicol Sci 118: 485-500 (2010) Article DOI: 10.1093/toxsci/kfq269 BindingDB Entry DOI: 10.7270/Q26Q20JN
Amgen Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Bile salt export pump (Homo sapiens (Human))	BDBM151585 (US8987315, Ketoconazole \| US9180183, Ketoconazole ...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...				Drug Metab Dispos 40: 2332-41 (2012) Article DOI: 10.1124/dmd.112.047068 BindingDB Entry DOI: 10.7270/Q2ZP488M
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM151585 (US8987315, Ketoconazole \| US9180183, Ketoconazole ...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP3A4 expressed in insect cells using DBOMF as substrate pretreated for 10 mins followed by substrate addition measu...				Bioorg Med Chem Lett 27: 2443-2449 (2017) Article DOI: 10.1016/j.bmcl.2017.04.006 BindingDB Entry DOI: 10.7270/Q2WQ05X3
University of Waterloo Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Canalicular multispecific organic anion transporter 1 (Homo sapiens (Human))	BDBM151585 (US8987315, Ketoconazole \| US9180183, Ketoconazole ...) Show SMILES Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...				Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D
Amgen Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Canalicular multispecific organic anion transporter 2 (Homo sapiens (Human))	BDBM151585 (US8987315, Ketoconazole \| US9180183, Ketoconazole ...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...				Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D
Amgen Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome CYP26A1 (Homo sapiens (Human))	BDBM151585 (US8987315, Ketoconazole \| US9180183, Ketoconazole ...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Similars	DrugBank US Patent	n/a	n/a	660	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington at Seattle					Assay Description Eighteen compounds were tested as potential inhibitors of CYP26A1 and CYP26B1. The formation of 9-cis-4-OH-RA metabolite was monitored and the percen...				J Med Chem 52: 1864-72 (2009) BindingDB Entry DOI: 10.7270/Q2FN18J2
University of Washington at Seattle					More data for this Ligand-Target Pair
Cytochrome P450 26B1 (Homo sapiens (Human))	BDBM151585 (US8987315, Ketoconazole \| US9180183, Ketoconazole ...) Show SMILES Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington at Seattle					Assay Description Eighteen compounds were tested as potential inhibitors of CYP26A1 and CYP26B1. The formation of 9-cis-4-OH-RA metabolite was monitored and the percen...				J Med Chem 52: 1864-72 (2009) BindingDB Entry DOI: 10.7270/Q2FN18J2
University of Washington at Seattle					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM151585 (US8987315, Ketoconazole \| US9180183, Ketoconazole ...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Similars	DrugBank US Patent	n/a	n/a	1.56E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington at Seattle					Assay Description Compounds were assessed for inhibition (IC50, n=2) of CYP2C8, CYP2C9 and CYP3A4 in pooled human liver microsomes using selective probe substrates at ...				J Med Chem 52: 1864-72 (2009) BindingDB Entry DOI: 10.7270/Q2FN18J2
University of Washington at Seattle					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM151585 (US8987315, Ketoconazole \| US9180183, Ketoconazole ...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Similars	DrugBank US Patent	n/a	n/a	2.57E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington at Seattle					Assay Description Compounds were assessed for inhibition (IC50, n=2) of CYP2C8, CYP2C9 and CYP3A4 in pooled human liver microsomes using selective probe substrates at ...				J Med Chem 52: 1864-72 (2009) BindingDB Entry DOI: 10.7270/Q2FN18J2
University of Washington at Seattle					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM151585 (US8987315, Ketoconazole \| US9180183, Ketoconazole ...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Similars	DrugBank PDB US Patent	n/a	n/a	<20	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington at Seattle					Assay Description Compounds were assessed for inhibition (IC50, n=2) of CYP2C8, CYP2C9 and CYP3A4 in pooled human liver microsomes using selective probe substrates at ...				J Med Chem 52: 1864-72 (2009) BindingDB Entry DOI: 10.7270/Q2FN18J2
University of Washington at Seattle					More data for this Ligand-Target Pair				3D Structure (crystal)
Multidrug resistance-associated protein 4 (Homo sapiens (Human))	BDBM151585 (US8987315, Ketoconazole \| US9180183, Ketoconazole ...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	6.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...				Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D
Amgen Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM151585 (US8987315, Ketoconazole \| US9180183, Ketoconazole ...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate upto 10 uM after 5 mins in presence of NADPH by LC-MS/MS analysis				J Med Chem 61: 224-250 (2018) Article DOI: 10.1021/acs.jmedchem.7b01300 BindingDB Entry DOI: 10.7270/Q289189X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM151585 (US8987315, Ketoconazole \| US9180183, Ketoconazole ...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate upto 10 uM after 5 mins in presence of NADPH by LC-MS/MS analysis				J Med Chem 61: 224-250 (2018) Article DOI: 10.1021/acs.jmedchem.7b01300 BindingDB Entry DOI: 10.7270/Q289189X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM151585 (US8987315, Ketoconazole \| US9180183, Ketoconazole ...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 10 mins followed by NADPH addition measured after 10 min...				Eur J Med Chem 137: 96-107 (2017) Article DOI: 10.1016/j.ejmech.2017.05.043 BindingDB Entry DOI: 10.7270/Q2833VHB
Shenyang Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM151585 (US8987315, Ketoconazole \| US9180183, Ketoconazole ...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Similars	DrugBank PDB PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin) expressed in baculosomes				J Med Chem 61: 834-864 (2018) BindingDB Entry DOI: 10.7270/Q20R9RVX
St. John's University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Bile salt export pump (Homo sapiens (Human))	BDBM151585 (US8987315, Ketoconazole \| US9180183, Ketoconazole ...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...				Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D
Amgen Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 24A1 (Homo sapiens (Human))	BDBM151585 (US8987315, Ketoconazole \| US9180183, Ketoconazole ...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Medicinal Chemistry, School of Pharmacy& Pharmaceutical Sciences, Cardiff University, King Edward VII Avenue, Cardiff CF10 3NB, UK. Curated by ChEMBL					Assay Description Inhibition of MBP-tagged human CYP24A1 expressed Escherichia coli BL21-Gold(DE3) incubated for 25 mins in presence of Adx, AdR 1,25(OH)2D3 and NADPH ...				Bioorg Med Chem 25: 4076-4087 (2017) Article DOI: 10.1016/j.bmc.2017.05.055 BindingDB Entry DOI: 10.7270/Q2J105NH
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM151585 (US8987315, Ketoconazole \| US9180183, Ketoconazole ...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin) by CYP3A4 P450-Glo assay				Bioorg Med Chem 26: 2573-2585 (2018) Article DOI: 10.1016/j.bmc.2018.04.023 BindingDB Entry DOI: 10.7270/Q2TQ641P
Jagiellonian University Medical College Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM151585 (US8987315, Ketoconazole \| US9180183, Ketoconazole ...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
University of Liverpool Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes assessed as testosterone 6beta-hydroxylation after 4 to 40 mins in presence of NADPH by LCMS analysis				Bioorg Med Chem 26: 2996-3005 (2018) Article DOI: 10.1016/j.bmc.2018.05.006 BindingDB Entry DOI: 10.7270/Q2K076SB
University of Liverpool Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM151585 (US8987315, Ketoconazole \| US9180183, Ketoconazole ...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
University of Liverpool Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes assessed as midazolam 1'-hydroxylation after 4 to 40 mins in presence of NADPH by LCMS analysis				Bioorg Med Chem 26: 2996-3005 (2018) Article DOI: 10.1016/j.bmc.2018.05.006 BindingDB Entry DOI: 10.7270/Q2K076SB
University of Liverpool Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
25-hydroxyvitamin D-1 alpha hydroxylase, mitochondrial (Homo sapiens (Human))	BDBM151585 (US8987315, Ketoconazole \| US9180183, Ketoconazole ...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
Medicinal Chemistry, School of Pharmacy& Pharmaceutical Sciences, Cardiff University, King Edward VII Avenue, Cardiff CF10 3NB, UK. Curated by ChEMBL					Assay Description Inhibition of human CYP27B1 expressed in Escherichia coli assessed as reduction in hydrolase activity incubated for 25 mins using Adx, AdR and 1,25(O...				Bioorg Med Chem 25: 5629-5636 (2017) Article DOI: 10.1016/j.bmc.2017.08.036 BindingDB Entry DOI: 10.7270/Q2Z03BN3
					More data for this Ligand-Target Pair
Cytochrome P450 24A1 (Homo sapiens (Human))	BDBM151585 (US8987315, Ketoconazole \| US9180183, Ketoconazole ...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Medicinal Chemistry, School of Pharmacy& Pharmaceutical Sciences, Cardiff University, King Edward VII Avenue, Cardiff CF10 3NB, UK. Curated by ChEMBL					Assay Description Inhibition of N-terminal MBP-tagged human CYP24A1 expressed in Escherichia coli assessed as reduction in hydrolase activity incubated for 25 mins usi...				Bioorg Med Chem 25: 5629-5636 (2017) Article DOI: 10.1016/j.bmc.2017.08.036 BindingDB Entry DOI: 10.7270/Q2Z03BN3
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM151585 (US8987315, Ketoconazole \| US9180183, Ketoconazole ...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Laval Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin) using AMMC by fluorescence assay				Bioorg Med Chem 22: 5847-59 (2014) Article DOI: 10.1016/j.bmc.2014.09.026 BindingDB Entry DOI: 10.7270/Q2BG2S0T
Universit£ Laval Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM151585 (US8987315, Ketoconazole \| US9180183, Ketoconazole ...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Laval University Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin) by fluorescence assay				J Med Chem 57: 204-22 (2014) Article DOI: 10.1021/jm401639v BindingDB Entry DOI: 10.7270/Q2V98C2Z
Laval University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM151585 (US8987315, Ketoconazole \| US9180183, Ketoconazole ...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	183	n/a	n/a	n/a	n/a	n/a	n/a
Tel Aviv University Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP3A4 using Luciferin-PPXE as substrate preincubated for 10 mins followed by NADPH addition measured after 15 mins b...				Eur J Med Chem 179: 779-790 (2019) Article DOI: 10.1016/j.ejmech.2019.07.003
Tel Aviv University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 17A1 (Homo sapiens (Human))	BDBM151585 (US8987315, Ketoconazole \| US9180183, Ketoconazole ...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Innocrin Pharmaceuticals, Inc. US Patent					Assay Description Solutions of each test compound were separately prepared at concentrations of 20000, 6000, 2000, 600, 200, and 60 uM by serial dilution with DMSO:MeC...				US Patent US8987315 (2015) BindingDB Entry DOI: 10.7270/Q2R78CZ0
Innocrin Pharmaceuticals, Inc. US Patent					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM151585 (US8987315, Ketoconazole \| US9180183, Ketoconazole ...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Similars	DrugBank US Patent	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Innocrin Pharmaceuticals, Inc. US Patent					Assay Description Solutions of each test compound were separately prepared at concentrations of 20000, 6000, 2000, 600, 200, and 60 uM by serial dilution with DMSO:MeC...				US Patent US8987315 (2015) BindingDB Entry DOI: 10.7270/Q2R78CZ0
Innocrin Pharmaceuticals, Inc. US Patent					More data for this Ligand-Target Pair