BDBM50328441 3-[4-(1,1-Dimethylethyl)phenyl]-8-(3-{[4-methyl-5-(4-methyl-1,3-oxazol-5-yl)-4H-1,2,4-triazol-3-yl]thio}propyl)-8-azabicyclo-[3.2.1]octane::CHEMBL1257215

SMILES: Cc1ncoc1-c1nnc(SCCCN2[C@H]3CC[C@@H]2C[C@@H](C3)c2ccc(cc2)C(C)(C)C)n1C

InChI Key: InChIKey=BIJSJQXDPUAQLO-UADZTWIMSA-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 = 50328441   

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 1A (Homo sapiens (Human))	BDBM50328441 (3-[4-(1,1-Dimethylethyl)phenyl]-8-(3-{[4-methyl-5-...) Show SMILES Cc1ncoc1-c1nnc(SCCCN2[C@H]3CC[C@@H]2C[C@@H](C3)c2ccc(cc2)C(C)(C)C)n1C |r,TLB:13:14:16.17:21.20.19,THB:22:20:16.17:14| Show InChI InChI=1S/C27H37N5OS/c1-18-24(33-17-28-18)25-29-30-26(31(25)5)34-14-6-13-32-22-11-12-23(32)16-20(15-22)19-7-9-21(10-8-19)27(2,3)4/h7-10,17,20,22-23H,6,11-16H2,1-5H3/t20-,22+,23-	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	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: 7129-39 (2010) Article DOI: 10.1021/jm100832d BindingDB Entry DOI: 10.7270/Q2CJ8DQZ
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50328441 (3-[4-(1,1-Dimethylethyl)phenyl]-8-(3-{[4-methyl-5-...) Show SMILES Cc1ncoc1-c1nnc(SCCCN2[C@H]3CC[C@@H]2C[C@@H](C3)c2ccc(cc2)C(C)(C)C)n1C |r,TLB:13:14:16.17:21.20.19,THB:22:20:16.17:14| Show InChI InChI=1S/C27H37N5OS/c1-18-24(33-17-28-18)25-29-30-26(31(25)5)34-14-6-13-32-22-11-12-23(32)16-20(15-22)19-7-9-21(10-8-19)27(2,3)4/h7-10,17,20,22-23H,6,11-16H2,1-5H3/t20-,22+,23-	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	>5.00E+3	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: 7129-39 (2010) Article DOI: 10.1021/jm100832d BindingDB Entry DOI: 10.7270/Q2CJ8DQZ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50328441 (3-[4-(1,1-Dimethylethyl)phenyl]-8-(3-{[4-methyl-5-...) Show SMILES Cc1ncoc1-c1nnc(SCCCN2[C@H]3CC[C@@H]2C[C@@H](C3)c2ccc(cc2)C(C)(C)C)n1C |r,TLB:13:14:16.17:21.20.19,THB:22:20:16.17:14| Show InChI InChI=1S/C27H37N5OS/c1-18-24(33-17-28-18)25-29-30-26(31(25)5)34-14-6-13-32-22-11-12-23(32)16-20(15-22)19-7-9-21(10-8-19)27(2,3)4/h7-10,17,20,22-23H,6,11-16H2,1-5H3/t20-,22+,23-	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+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]-dofetilide from human ERG by scintillation proximity assay				J Med Chem 53: 7129-39 (2010) Article DOI: 10.1021/jm100832d BindingDB Entry DOI: 10.7270/Q2CJ8DQZ
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50328441 (3-[4-(1,1-Dimethylethyl)phenyl]-8-(3-{[4-methyl-5-...) Show SMILES Cc1ncoc1-c1nnc(SCCCN2[C@H]3CC[C@@H]2C[C@@H](C3)c2ccc(cc2)C(C)(C)C)n1C |r,TLB:13:14:16.17:21.20.19,THB:22:20:16.17:14| Show InChI InChI=1S/C27H37N5OS/c1-18-24(33-17-28-18)25-29-30-26(31(25)5)34-14-6-13-32-22-11-12-23(32)16-20(15-22)19-7-9-21(10-8-19)27(2,3)4/h7-10,17,20,22-23H,6,11-16H2,1-5H3/t20-,22+,23-	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	>5.00E+3	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: 7129-39 (2010) Article DOI: 10.1021/jm100832d BindingDB Entry DOI: 10.7270/Q2CJ8DQZ
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50328441 (3-[4-(1,1-Dimethylethyl)phenyl]-8-(3-{[4-methyl-5-...) Show SMILES Cc1ncoc1-c1nnc(SCCCN2[C@H]3CC[C@@H]2C[C@@H](C3)c2ccc(cc2)C(C)(C)C)n1C |r,TLB:13:14:16.17:21.20.19,THB:22:20:16.17:14| Show InChI InChI=1S/C27H37N5OS/c1-18-24(33-17-28-18)25-29-30-26(31(25)5)34-14-6-13-32-22-11-12-23(32)16-20(15-22)19-7-9-21(10-8-19)27(2,3)4/h7-10,17,20,22-23H,6,11-16H2,1-5H3/t20-,22+,23-	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	>5.00E+3	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: 7129-39 (2010) Article DOI: 10.1021/jm100832d BindingDB Entry DOI: 10.7270/Q2CJ8DQZ
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50328441 (3-[4-(1,1-Dimethylethyl)phenyl]-8-(3-{[4-methyl-5-...) Show SMILES Cc1ncoc1-c1nnc(SCCCN2[C@H]3CC[C@@H]2C[C@@H](C3)c2ccc(cc2)C(C)(C)C)n1C |r,TLB:13:14:16.17:21.20.19,THB:22:20:16.17:14| Show InChI InChI=1S/C27H37N5OS/c1-18-24(33-17-28-18)25-29-30-26(31(25)5)34-14-6-13-32-22-11-12-23(32)16-20(15-22)19-7-9-21(10-8-19)27(2,3)4/h7-10,17,20,22-23H,6,11-16H2,1-5H3/t20-,22+,23-	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	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: 7129-39 (2010) Article DOI: 10.1021/jm100832d BindingDB Entry DOI: 10.7270/Q2CJ8DQZ
					More data for this Ligand-Target Pair