BDBM50125260 2-{2-[4-(5-Fluoro-2-oxo-2,3-dihydro-benzoimidazol-1-yl)-piperidin-1-yl]-ethyl}-2,3,4,5-tetrahydro-benzo[c]azepin-1-one::CHEMBL273921

SMILES: Fc1ccc2n(C3CCN(CCN4CCCc5ccccc5C4=O)CC3)c(=O)[nH]c2c1

InChI Key: InChIKey=KOTITFQGTVUMBT-UHFFFAOYSA-N

Data: 17 KI  5 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 22 hits for monomerid = 50125260   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50125260 (2-{2-[4-(5-Fluoro-2-oxo-2,3-dihydro-benzoimidazol-...) Show SMILES Fc1ccc2n(C3CCN(CCN4CCCc5ccccc5C4=O)CC3)c(=O)[nH]c2c1 Show InChI InChI=1S/C24H27FN4O2/c25-18-7-8-22-21(16-18)26-24(31)29(22)19-9-12-27(13-10-19)14-15-28-11-3-5-17-4-1-2-6-20(17)23(28)30/h1-2,4,6-8,16,19H,3,5,9-15H2,(H,26,31)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity at human cloned 5-hydroxytryptamine 7 receptor.				Bioorg Med Chem Lett 13: 1055-8 (2003) BindingDB Entry DOI: 10.7270/Q2X066D4
					More data for this Ligand-Target Pair
Serotonin (5-HT) receptor (Rattus norvegicus (rat))	BDBM50125260 (2-{2-[4-(5-Fluoro-2-oxo-2,3-dihydro-benzoimidazol-...) Show SMILES Fc1ccc2n(C3CCN(CCN4CCCc5ccccc5C4=O)CC3)c(=O)[nH]c2c1 Show InChI InChI=1S/C24H27FN4O2/c25-18-7-8-22-21(16-18)26-24(31)29(22)19-9-12-27(13-10-19)14-15-28-11-3-5-17-4-1-2-6-20(17)23(28)30/h1-2,4,6-8,16,19H,3,5,9-15H2,(H,26,31)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of [3H]-5-HT binding to rat 5-hydroxytryptamine 7 receptor				J Med Chem 47: 3927-30 (2004) Article DOI: 10.1021/jm0498102 BindingDB Entry DOI: 10.7270/Q2FQ9W2Z
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50125260 (2-{2-[4-(5-Fluoro-2-oxo-2,3-dihydro-benzoimidazol-...) Show SMILES Fc1ccc2n(C3CCN(CCN4CCCc5ccccc5C4=O)CC3)c(=O)[nH]c2c1 Show InChI InChI=1S/C24H27FN4O2/c25-18-7-8-22-21(16-18)26-24(31)29(22)19-9-12-27(13-10-19)14-15-28-11-3-5-17-4-1-2-6-20(17)23(28)30/h1-2,4,6-8,16,19H,3,5,9-15H2,(H,26,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	234	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity towards cloned human dopamine D2 receptor was determined				Bioorg Med Chem Lett 13: 1055-8 (2003) BindingDB Entry DOI: 10.7270/Q2X066D4
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50125260 (2-{2-[4-(5-Fluoro-2-oxo-2,3-dihydro-benzoimidazol-...) Show SMILES Fc1ccc2n(C3CCN(CCN4CCCc5ccccc5C4=O)CC3)c(=O)[nH]c2c1 Show InChI InChI=1S/C24H27FN4O2/c25-18-7-8-22-21(16-18)26-24(31)29(22)19-9-12-27(13-10-19)14-15-28-11-3-5-17-4-1-2-6-20(17)23(28)30/h1-2,4,6-8,16,19H,3,5,9-15H2,(H,26,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	234	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of [3H]-Raclopride binding to Dopamine receptor D2A in rat				J Med Chem 47: 3927-30 (2004) Article DOI: 10.1021/jm0498102 BindingDB Entry DOI: 10.7270/Q2FQ9W2Z
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50125260 (2-{2-[4-(5-Fluoro-2-oxo-2,3-dihydro-benzoimidazol-...) Show SMILES Fc1ccc2n(C3CCN(CCN4CCCc5ccccc5C4=O)CC3)c(=O)[nH]c2c1 Show InChI InChI=1S/C24H27FN4O2/c25-18-7-8-22-21(16-18)26-24(31)29(22)19-9-12-27(13-10-19)14-15-28-11-3-5-17-4-1-2-6-20(17)23(28)30/h1-2,4,6-8,16,19H,3,5,9-15H2,(H,26,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	302	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity at human cloned 5-hydroxytryptamine 2A receptor.				Bioorg Med Chem Lett 13: 1055-8 (2003) BindingDB Entry DOI: 10.7270/Q2X066D4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50125260 (2-{2-[4-(5-Fluoro-2-oxo-2,3-dihydro-benzoimidazol-...) Show SMILES Fc1ccc2n(C3CCN(CCN4CCCc5ccccc5C4=O)CC3)c(=O)[nH]c2c1 Show InChI InChI=1S/C24H27FN4O2/c25-18-7-8-22-21(16-18)26-24(31)29(22)19-9-12-27(13-10-19)14-15-28-11-3-5-17-4-1-2-6-20(17)23(28)30/h1-2,4,6-8,16,19H,3,5,9-15H2,(H,26,31)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	479	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of [3H]-8-OH-DPAT binding to rat 5-hydroxytryptamine 1A receptor				J Med Chem 47: 3927-30 (2004) Article DOI: 10.1021/jm0498102 BindingDB Entry DOI: 10.7270/Q2FQ9W2Z
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50125260 (2-{2-[4-(5-Fluoro-2-oxo-2,3-dihydro-benzoimidazol-...) Show SMILES Fc1ccc2n(C3CCN(CCN4CCCc5ccccc5C4=O)CC3)c(=O)[nH]c2c1 Show InChI InChI=1S/C24H27FN4O2/c25-18-7-8-22-21(16-18)26-24(31)29(22)19-9-12-27(13-10-19)14-15-28-11-3-5-17-4-1-2-6-20(17)23(28)30/h1-2,4,6-8,16,19H,3,5,9-15H2,(H,26,31)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	479	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 1A receptor in human using [3H]8-OH-DPAT as radioligand				Bioorg Med Chem Lett 13: 1055-8 (2003) BindingDB Entry DOI: 10.7270/Q2X066D4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50125260 (2-{2-[4-(5-Fluoro-2-oxo-2,3-dihydro-benzoimidazol-...) Show SMILES Fc1ccc2n(C3CCN(CCN4CCCc5ccccc5C4=O)CC3)c(=O)[nH]c2c1 Show InChI InChI=1S/C24H27FN4O2/c25-18-7-8-22-21(16-18)26-24(31)29(22)19-9-12-27(13-10-19)14-15-28-11-3-5-17-4-1-2-6-20(17)23(28)30/h1-2,4,6-8,16,19H,3,5,9-15H2,(H,26,31)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity towards cloned human 5-hydroxytryptamine 2B receptor was determined				Bioorg Med Chem Lett 13: 1055-8 (2003) BindingDB Entry DOI: 10.7270/Q2X066D4
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50125260 (2-{2-[4-(5-Fluoro-2-oxo-2,3-dihydro-benzoimidazol-...) Show SMILES Fc1ccc2n(C3CCN(CCN4CCCc5ccccc5C4=O)CC3)c(=O)[nH]c2c1 Show InChI InChI=1S/C24H27FN4O2/c25-18-7-8-22-21(16-18)26-24(31)29(22)19-9-12-27(13-10-19)14-15-28-11-3-5-17-4-1-2-6-20(17)23(28)30/h1-2,4,6-8,16,19H,3,5,9-15H2,(H,26,31)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	1.23E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity towards cloned human dopamine D4 receptor was determined				Bioorg Med Chem Lett 13: 1055-8 (2003) BindingDB Entry DOI: 10.7270/Q2X066D4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM50125260 (2-{2-[4-(5-Fluoro-2-oxo-2,3-dihydro-benzoimidazol-...) Show SMILES Fc1ccc2n(C3CCN(CCN4CCCc5ccccc5C4=O)CC3)c(=O)[nH]c2c1 Show InChI InChI=1S/C24H27FN4O2/c25-18-7-8-22-21(16-18)26-24(31)29(22)19-9-12-27(13-10-19)14-15-28-11-3-5-17-4-1-2-6-20(17)23(28)30/h1-2,4,6-8,16,19H,3,5,9-15H2,(H,26,31)	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	1.48E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity towards cloned human 5-HT5A receptor was determined				Bioorg Med Chem Lett 13: 1055-8 (2003) BindingDB Entry DOI: 10.7270/Q2X066D4
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50125260 (2-{2-[4-(5-Fluoro-2-oxo-2,3-dihydro-benzoimidazol-...) Show SMILES Fc1ccc2n(C3CCN(CCN4CCCc5ccccc5C4=O)CC3)c(=O)[nH]c2c1 Show InChI InChI=1S/C24H27FN4O2/c25-18-7-8-22-21(16-18)26-24(31)29(22)19-9-12-27(13-10-19)14-15-28-11-3-5-17-4-1-2-6-20(17)23(28)30/h1-2,4,6-8,16,19H,3,5,9-15H2,(H,26,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity towards cloned human dopamine D3 receptor was determined				Bioorg Med Chem Lett 13: 1055-8 (2003) BindingDB Entry DOI: 10.7270/Q2X066D4
					More data for this Ligand-Target Pair
Serotonin (5-HT) receptor (Homo sapiens (Human))	BDBM50125260 (2-{2-[4-(5-Fluoro-2-oxo-2,3-dihydro-benzoimidazol-...) Show SMILES Fc1ccc2n(C3CCN(CCN4CCCc5ccccc5C4=O)CC3)c(=O)[nH]c2c1 Show InChI InChI=1S/C24H27FN4O2/c25-18-7-8-22-21(16-18)26-24(31)29(22)19-9-12-27(13-10-19)14-15-28-11-3-5-17-4-1-2-6-20(17)23(28)30/h1-2,4,6-8,16,19H,3,5,9-15H2,(H,26,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity towards cloned human 5-hydroxytryptamine 1D receptor				Bioorg Med Chem Lett 13: 1055-8 (2003) BindingDB Entry DOI: 10.7270/Q2X066D4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50125260 (2-{2-[4-(5-Fluoro-2-oxo-2,3-dihydro-benzoimidazol-...) Show SMILES Fc1ccc2n(C3CCN(CCN4CCCc5ccccc5C4=O)CC3)c(=O)[nH]c2c1 Show InChI InChI=1S/C24H27FN4O2/c25-18-7-8-22-21(16-18)26-24(31)29(22)19-9-12-27(13-10-19)14-15-28-11-3-5-17-4-1-2-6-20(17)23(28)30/h1-2,4,6-8,16,19H,3,5,9-15H2,(H,26,31)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	3.31E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity towards cloned human 5-hydroxytryptamine 2C receptor was determined				Bioorg Med Chem Lett 13: 1055-8 (2003) BindingDB Entry DOI: 10.7270/Q2X066D4
					More data for this Ligand-Target Pair
Serotonin (5-HT) receptor (Homo sapiens (Human))	BDBM50125260 (2-{2-[4-(5-Fluoro-2-oxo-2,3-dihydro-benzoimidazol-...) Show SMILES Fc1ccc2n(C3CCN(CCN4CCCc5ccccc5C4=O)CC3)c(=O)[nH]c2c1 Show InChI InChI=1S/C24H27FN4O2/c25-18-7-8-22-21(16-18)26-24(31)29(22)19-9-12-27(13-10-19)14-15-28-11-3-5-17-4-1-2-6-20(17)23(28)30/h1-2,4,6-8,16,19H,3,5,9-15H2,(H,26,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	<3.98E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity towards cloned human 5-hydroxytryptamine 1B receptor was determined				Bioorg Med Chem Lett 13: 1055-8 (2003) BindingDB Entry DOI: 10.7270/Q2X066D4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50125260 (2-{2-[4-(5-Fluoro-2-oxo-2,3-dihydro-benzoimidazol-...) Show SMILES Fc1ccc2n(C3CCN(CCN4CCCc5ccccc5C4=O)CC3)c(=O)[nH]c2c1 Show InChI InChI=1S/C24H27FN4O2/c25-18-7-8-22-21(16-18)26-24(31)29(22)19-9-12-27(13-10-19)14-15-28-11-3-5-17-4-1-2-6-20(17)23(28)30/h1-2,4,6-8,16,19H,3,5,9-15H2,(H,26,31)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	<5.01E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity towards human 5-hydroxytryptamine 6 receptor				Bioorg Med Chem Lett 13: 1055-8 (2003) BindingDB Entry DOI: 10.7270/Q2X066D4
					More data for this Ligand-Target Pair
Serotonin (5-HT) receptor (Homo sapiens (Human))	BDBM50125260 (2-{2-[4-(5-Fluoro-2-oxo-2,3-dihydro-benzoimidazol-...) Show SMILES Fc1ccc2n(C3CCN(CCN4CCCc5ccccc5C4=O)CC3)c(=O)[nH]c2c1 Show InChI InChI=1S/C24H27FN4O2/c25-18-7-8-22-21(16-18)26-24(31)29(22)19-9-12-27(13-10-19)14-15-28-11-3-5-17-4-1-2-6-20(17)23(28)30/h1-2,4,6-8,16,19H,3,5,9-15H2,(H,26,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity towards cloned human 5-hydroxytryptamine 1E receptor was determined				Bioorg Med Chem Lett 13: 1055-8 (2003) BindingDB Entry DOI: 10.7270/Q2X066D4
					More data for this Ligand-Target Pair
Serotonin (5-HT) receptor (Homo sapiens (Human))	BDBM50125260 (2-{2-[4-(5-Fluoro-2-oxo-2,3-dihydro-benzoimidazol-...) Show SMILES Fc1ccc2n(C3CCN(CCN4CCCc5ccccc5C4=O)CC3)c(=O)[nH]c2c1 Show InChI InChI=1S/C24H27FN4O2/c25-18-7-8-22-21(16-18)26-24(31)29(22)19-9-12-27(13-10-19)14-15-28-11-3-5-17-4-1-2-6-20(17)23(28)30/h1-2,4,6-8,16,19H,3,5,9-15H2,(H,26,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity towards cloned human 5-hydroxytryptamine 1F receptor was determined				Bioorg Med Chem Lett 13: 1055-8 (2003) BindingDB Entry DOI: 10.7270/Q2X066D4
					More data for this Ligand-Target Pair
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50125260 (2-{2-[4-(5-Fluoro-2-oxo-2,3-dihydro-benzoimidazol-...) Show SMILES Fc1ccc2n(C3CCN(CCN4CCCc5ccccc5C4=O)CC3)c(=O)[nH]c2c1 Show InChI InChI=1S/C24H27FN4O2/c25-18-7-8-22-21(16-18)26-24(31)29(22)19-9-12-27(13-10-19)14-15-28-11-3-5-17-4-1-2-6-20(17)23(28)30/h1-2,4,6-8,16,19H,3,5,9-15H2,(H,26,31)	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	6.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human Cytochrome P450 1A2				Bioorg Med Chem Lett 13: 1055-8 (2003) BindingDB Entry DOI: 10.7270/Q2X066D4
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50125260 (2-{2-[4-(5-Fluoro-2-oxo-2,3-dihydro-benzoimidazol-...) Show SMILES Fc1ccc2n(C3CCN(CCN4CCCc5ccccc5C4=O)CC3)c(=O)[nH]c2c1 Show InChI InChI=1S/C24H27FN4O2/c25-18-7-8-22-21(16-18)26-24(31)29(22)19-9-12-27(13-10-19)14-15-28-11-3-5-17-4-1-2-6-20(17)23(28)30/h1-2,4,6-8,16,19H,3,5,9-15H2,(H,26,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human Cytochrome P450 2C19				Bioorg Med Chem Lett 13: 1055-8 (2003) BindingDB Entry DOI: 10.7270/Q2X066D4
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50125260 (2-{2-[4-(5-Fluoro-2-oxo-2,3-dihydro-benzoimidazol-...) Show SMILES Fc1ccc2n(C3CCN(CCN4CCCc5ccccc5C4=O)CC3)c(=O)[nH]c2c1 Show InChI InChI=1S/C24H27FN4O2/c25-18-7-8-22-21(16-18)26-24(31)29(22)19-9-12-27(13-10-19)14-15-28-11-3-5-17-4-1-2-6-20(17)23(28)30/h1-2,4,6-8,16,19H,3,5,9-15H2,(H,26,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human cytochrome P450 isoform 2C9				Bioorg Med Chem Lett 13: 1055-8 (2003) BindingDB Entry DOI: 10.7270/Q2X066D4
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50125260 (2-{2-[4-(5-Fluoro-2-oxo-2,3-dihydro-benzoimidazol-...) Show SMILES Fc1ccc2n(C3CCN(CCN4CCCc5ccccc5C4=O)CC3)c(=O)[nH]c2c1 Show InChI InChI=1S/C24H27FN4O2/c25-18-7-8-22-21(16-18)26-24(31)29(22)19-9-12-27(13-10-19)14-15-28-11-3-5-17-4-1-2-6-20(17)23(28)30/h1-2,4,6-8,16,19H,3,5,9-15H2,(H,26,31)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human Cytochrome P450 2D6				Bioorg Med Chem Lett 13: 1055-8 (2003) BindingDB Entry DOI: 10.7270/Q2X066D4
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50125260 (2-{2-[4-(5-Fluoro-2-oxo-2,3-dihydro-benzoimidazol-...) Show SMILES Fc1ccc2n(C3CCN(CCN4CCCc5ccccc5C4=O)CC3)c(=O)[nH]c2c1 Show InChI InChI=1S/C24H27FN4O2/c25-18-7-8-22-21(16-18)26-24(31)29(22)19-9-12-27(13-10-19)14-15-28-11-3-5-17-4-1-2-6-20(17)23(28)30/h1-2,4,6-8,16,19H,3,5,9-15H2,(H,26,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human Cytochrome P450 3A4				Bioorg Med Chem Lett 13: 1055-8 (2003) BindingDB Entry DOI: 10.7270/Q2X066D4
					More data for this Ligand-Target Pair