BDBM50342188 (S)-N-(6-(4-(1-hydroxy-1-(1H-imidazol-4-yl)-2-methylpropyl)phenyl)pyridin-2-yl)acetamide::CHEMBL1766189

SMILES: CC(C)[C@@](O)(c1cnc[nH]1)c1ccc(cc1)-c1cccc(NC(C)=O)n1

InChI Key: InChIKey=IMIWIUDULMYEKK-FQEVSTJZSA-N

Data: 3 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 3 hits for monomerid = 50342188   

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 17A1 (Rattus norvegicus (Rat))	BDBM50342188 ((S)-N-(6-(4-(1-hydroxy-1-(1H-imidazol-4-yl)-2-meth...) Show SMILES CC(C)[C@@](O)(c1cnc[nH]1)c1ccc(cc1)-c1cccc(NC(C)=O)n1 |r| Show InChI InChI=1S/C20H22N4O2/c1-13(2)20(26,18-11-21-12-22-18)16-9-7-15(8-10-16)17-5-4-6-19(24-17)23-14(3)25/h4-13,26H,1-3H3,(H,21,22)(H,23,24,25)/t20-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd Curated by ChEMBL					Assay Description Inhibition of 17,20 lyase activity in Sprague-Dawley rat testicular microsomes				Bioorg Med Chem 19: 2428-42 (2011) Article DOI: 10.1016/j.bmc.2011.02.009 BindingDB Entry DOI: 10.7270/Q2FJ2H3G
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50342188 ((S)-N-(6-(4-(1-hydroxy-1-(1H-imidazol-4-yl)-2-meth...) Show SMILES CC(C)[C@@](O)(c1cnc[nH]1)c1ccc(cc1)-c1cccc(NC(C)=O)n1 |r| Show InChI InChI=1S/C20H22N4O2/c1-13(2)20(26,18-11-21-12-22-18)16-9-7-15(8-10-16)17-5-4-6-19(24-17)23-14(3)25/h4-13,26H,1-3H3,(H,21,22)(H,23,24,25)/t20-/m0/s1	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
Takeda Pharmaceutical Company, Ltd Curated by ChEMBL					Assay Description Inhibition of human CYP3A4 after 30 mins				Bioorg Med Chem 19: 2428-42 (2011) Article DOI: 10.1016/j.bmc.2011.02.009 BindingDB Entry DOI: 10.7270/Q2FJ2H3G
					More data for this Ligand-Target Pair
Cytochrome P450 17A1 (Homo sapiens (Human))	BDBM50342188 ((S)-N-(6-(4-(1-hydroxy-1-(1H-imidazol-4-yl)-2-meth...) Show SMILES CC(C)[C@@](O)(c1cnc[nH]1)c1ccc(cc1)-c1cccc(NC(C)=O)n1 |r| Show InChI InChI=1S/C20H22N4O2/c1-13(2)20(26,18-11-21-12-22-18)16-9-7-15(8-10-16)17-5-4-6-19(24-17)23-14(3)25/h4-13,26H,1-3H3,(H,21,22)(H,23,24,25)/t20-/m0/s1	PDB 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	26	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd Curated by ChEMBL					Assay Description Inhibition of human 17,20 lyase activity				Bioorg Med Chem 19: 2428-42 (2011) Article DOI: 10.1016/j.bmc.2011.02.009 BindingDB Entry DOI: 10.7270/Q2FJ2H3G
					More data for this Ligand-Target Pair