BDBM50338357 CHEMBL1682903::rac-6-[1-Hydroxy-1-(1H-imidazol-4-yl)-2-methylpropyl]-2-methyl-2,3-dihydro-1H-benzo[f]isoindol-1-one

SMILES: CC(C)C(O)(c1cnc[nH]1)c1ccc2cc3C(=O)N(C)Cc3cc2c1

InChI Key: InChIKey=LQWYAFZMARIARA-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 = 50338357   

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))	BDBM50338357 (CHEMBL1682903 | rac-6-[1-Hydroxy-1-(1H-imidazol-4-...) Show SMILES CC(C)C(O)(c1cnc[nH]1)c1ccc2cc3C(=O)N(C)Cc3cc2c1 Show InChI InChI=1S/C20H21N3O2/c1-12(2)20(25,18-9-21-11-22-18)16-5-4-13-8-17-15(6-14(13)7-16)10-23(3)19(17)24/h4-9,11-12,25H,10H2,1-3H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	19	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))	BDBM50338357 (CHEMBL1682903 | rac-6-[1-Hydroxy-1-(1H-imidazol-4-...) Show SMILES CC(C)C(O)(c1cnc[nH]1)c1ccc2cc3C(=O)N(C)Cc3cc2c1 Show InChI InChI=1S/C20H21N3O2/c1-12(2)20(25,18-9-21-11-22-18)16-5-4-13-8-17-15(6-14(13)7-16)10-23(3)19(17)24/h4-9,11-12,25H,10H2,1-3H3,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.40E+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))	BDBM50338357 (CHEMBL1682903 | rac-6-[1-Hydroxy-1-(1H-imidazol-4-...) Show SMILES CC(C)C(O)(c1cnc[nH]1)c1ccc2cc3C(=O)N(C)Cc3cc2c1 Show InChI InChI=1S/C20H21N3O2/c1-12(2)20(25,18-9-21-11-22-18)16-5-4-13-8-17-15(6-14(13)7-16)10-23(3)19(17)24/h4-9,11-12,25H,10H2,1-3H3,(H,21,22)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	70	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