BDBM50312269 2-methyl-5-(4-methyl-5-(3-(1-(4-(trifluoromethyl)phenyl)-3-azabicyclo[3.1.0]hexan-3-yl)propylthio)-4H-1,2,4-triazol-3-yl)quinoline::CHEMBL1080293

SMILES: Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2CC3CC3(C2)c2ccc(cc2)C(F)(F)F)n1C

InChI Key: InChIKey=AWJOAMPQOUEKCN-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50312269   

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
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50312269 (2-methyl-5-(4-methyl-5-(3-(1-(4-(trifluoromethyl)p...) Show SMILES Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2CC3CC3(C2)c2ccc(cc2)C(F)(F)F)n1C Show InChI InChI=1S/C28H28F3N5S/c1-18-7-12-22-23(5-3-6-24(22)32-18)25-33-34-26(35(25)2)37-14-4-13-36-16-21-15-27(21,17-36)19-8-10-20(11-9-19)28(29,30)31/h3,5-12,21H,4,13-17H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of human CYP1A2				J Med Chem 53: 374-91 (2010) Article DOI: 10.1021/jm901319p BindingDB Entry DOI: 10.7270/Q2WQ03X8
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50312269 (2-methyl-5-(4-methyl-5-(3-(1-(4-(trifluoromethyl)p...) Show SMILES Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2CC3CC3(C2)c2ccc(cc2)C(F)(F)F)n1C Show InChI InChI=1S/C28H28F3N5S/c1-18-7-12-22-23(5-3-6-24(22)32-18)25-33-34-26(35(25)2)37-14-4-13-36-16-21-15-27(21,17-36)19-8-10-20(11-9-19)28(29,30)31/h3,5-12,21H,4,13-17H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of human CYP2C9				J Med Chem 53: 374-91 (2010) Article DOI: 10.1021/jm901319p BindingDB Entry DOI: 10.7270/Q2WQ03X8
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50312269 (2-methyl-5-(4-methyl-5-(3-(1-(4-(trifluoromethyl)p...) Show SMILES Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2CC3CC3(C2)c2ccc(cc2)C(F)(F)F)n1C Show InChI InChI=1S/C28H28F3N5S/c1-18-7-12-22-23(5-3-6-24(22)32-18)25-33-34-26(35(25)2)37-14-4-13-36-16-21-15-27(21,17-36)19-8-10-20(11-9-19)28(29,30)31/h3,5-12,21H,4,13-17H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]dofetidile from human ERG by scintillation proximity assay				J Med Chem 53: 374-91 (2010) Article DOI: 10.1021/jm901319p BindingDB Entry DOI: 10.7270/Q2WQ03X8
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50312269 (2-methyl-5-(4-methyl-5-(3-(1-(4-(trifluoromethyl)p...) Show SMILES Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2CC3CC3(C2)c2ccc(cc2)C(F)(F)F)n1C Show InChI InChI=1S/C28H28F3N5S/c1-18-7-12-22-23(5-3-6-24(22)32-18)25-33-34-26(35(25)2)37-14-4-13-36-16-21-15-27(21,17-36)19-8-10-20(11-9-19)28(29,30)31/h3,5-12,21H,4,13-17H2,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of human CYP2D6				J Med Chem 53: 374-91 (2010) Article DOI: 10.1021/jm901319p BindingDB Entry DOI: 10.7270/Q2WQ03X8
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50312269 (2-methyl-5-(4-methyl-5-(3-(1-(4-(trifluoromethyl)p...) Show SMILES Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2CC3CC3(C2)c2ccc(cc2)C(F)(F)F)n1C Show InChI InChI=1S/C28H28F3N5S/c1-18-7-12-22-23(5-3-6-24(22)32-18)25-33-34-26(35(25)2)37-14-4-13-36-16-21-15-27(21,17-36)19-8-10-20(11-9-19)28(29,30)31/h3,5-12,21H,4,13-17H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of human CYP3A4				J Med Chem 53: 374-91 (2010) Article DOI: 10.1021/jm901319p BindingDB Entry DOI: 10.7270/Q2WQ03X8
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50312269 (2-methyl-5-(4-methyl-5-(3-(1-(4-(trifluoromethyl)p...) Show SMILES Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2CC3CC3(C2)c2ccc(cc2)C(F)(F)F)n1C Show InChI InChI=1S/C28H28F3N5S/c1-18-7-12-22-23(5-3-6-24(22)32-18)25-33-34-26(35(25)2)37-14-4-13-36-16-21-15-27(21,17-36)19-8-10-20(11-9-19)28(29,30)31/h3,5-12,21H,4,13-17H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of human CYP2C19				J Med Chem 53: 374-91 (2010) Article DOI: 10.1021/jm901319p BindingDB Entry DOI: 10.7270/Q2WQ03X8
					More data for this Ligand-Target Pair