BDBM50338354 CHEMBL1682891::rac-Methyl 6-[1-hydroxy-1-(1H-imidazol-4-yl)-2-methylpropyl]-2-naphthoate

SMILES: COC(=O)c1ccc2cc(ccc2c1)C(O)(C(C)C)c1cnc[nH]1

InChI Key: InChIKey=RRHVEQWMOKQMRJ-UHFFFAOYSA-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 = 50338354   

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 (Homo sapiens (Human))	BDBM50338354 (CHEMBL1682891 | rac-Methyl 6-[1-hydroxy-1-(1H-imid...) Show SMILES COC(=O)c1ccc2cc(ccc2c1)C(O)(C(C)C)c1cnc[nH]1 Show InChI InChI=1S/C19H20N2O3/c1-12(2)19(23,17-10-20-11-21-17)16-7-6-13-8-15(18(22)24-3)5-4-14(13)9-16/h4-12,23H,1-3H3,(H,20,21)	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	24	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 human				Bioorg Med Chem 19: 1751-70 (2011) Article DOI: 10.1016/j.bmc.2011.01.017 BindingDB Entry DOI: 10.7270/Q2X92C9F
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50338354 (CHEMBL1682891 | rac-Methyl 6-[1-hydroxy-1-(1H-imid...) Show SMILES COC(=O)c1ccc2cc(ccc2c1)C(O)(C(C)C)c1cnc[nH]1 Show InChI InChI=1S/C19H20N2O3/c1-12(2)19(23,17-10-20-11-21-17)16-7-6-13-8-15(18(22)24-3)5-4-14(13)9-16/h4-12,23H,1-3H3,(H,20,21)	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	1.40E+3	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				Bioorg Med Chem 19: 1751-70 (2011) Article DOI: 10.1016/j.bmc.2011.01.017 BindingDB Entry DOI: 10.7270/Q2X92C9F
					More data for this Ligand-Target Pair
Cytochrome P450 17A1 (Rattus norvegicus (Rat))	BDBM50338354 (CHEMBL1682891 | rac-Methyl 6-[1-hydroxy-1-(1H-imid...) Show SMILES COC(=O)c1ccc2cc(ccc2c1)C(O)(C(C)C)c1cnc[nH]1 Show InChI InChI=1S/C19H20N2O3/c1-12(2)19(23,17-10-20-11-21-17)16-7-6-13-8-15(18(22)24-3)5-4-14(13)9-16/h4-12,23H,1-3H3,(H,20,21)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	43	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: 1751-70 (2011) Article DOI: 10.1016/j.bmc.2011.01.017 BindingDB Entry DOI: 10.7270/Q2X92C9F
					More data for this Ligand-Target Pair