BDBM50338356 (+)-7-[1-Hydroxy-1-(1H-imidazol-4-yl)-2-methylpropyl]-1,2-dihydro-3H-benzo[e]isoindol-3-one::(-)-7-[1-Hydroxy-1-(1H-imidazol-4-yl)-2-methylpropyl]-1,2-dihydro-3H-benzo[e]isoindol-3-one::CHEMBL1682900::rac-7-[1-Hydroxy-1-(1H-imidazol-4-yl)-2-methylpropyl]-1,2-dihydro-3H-benzo[e]isoindol-3-one

SMILES: CC(C)C(O)(c1cnc[nH]1)c1ccc2c3CNC(=O)c3ccc2c1

InChI Key: InChIKey=JJPKQUVDOTUNRO-UHFFFAOYSA-N

Data: 9 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 9 hits for monomerid = 50338356   

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 P450c11B3 (Rattus norvegicus)	BDBM50338356 ((+)-7-[1-Hydroxy-1-(1H-imidazol-4-yl)-2-methylprop...) Show SMILES CC(C)C(O)(c1cnc[nH]1)c1ccc2c3CNC(=O)c3ccc2c1 Show InChI InChI=1S/C19H19N3O2/c1-11(2)19(24,17-9-20-10-22-17)13-4-6-14-12(7-13)3-5-15-16(14)8-21-18(15)23/h3-7,9-11,24H,8H2,1-2H3,(H,20,22)(H,21,23)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd Curated by ChEMBL					Assay Description Inhibition of 11-hydroxylase activity in Sprague-Dawley rat adrenal gland				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 (Homo sapiens (Human))	BDBM50338356 ((+)-7-[1-Hydroxy-1-(1H-imidazol-4-yl)-2-methylprop...) Show SMILES CC(C)C(O)(c1cnc[nH]1)c1ccc2c3CNC(=O)c3ccc2c1 Show InChI InChI=1S/C19H19N3O2/c1-11(2)19(24,17-9-20-10-22-17)13-4-6-14-12(7-13)3-5-15-16(14)8-21-18(15)23/h3-7,9-11,24H,8H2,1-2H3,(H,20,22)(H,21,23)	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	15	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 17A1 (Homo sapiens (Human))	BDBM50338356 ((+)-7-[1-Hydroxy-1-(1H-imidazol-4-yl)-2-methylprop...) Show SMILES CC(C)C(O)(c1cnc[nH]1)c1ccc2c3CNC(=O)c3ccc2c1 Show InChI InChI=1S/C19H19N3O2/c1-11(2)19(24,17-9-20-10-22-17)13-4-6-14-12(7-13)3-5-15-16(14)8-21-18(15)23/h3-7,9-11,24H,8H2,1-2H3,(H,20,22)(H,21,23)	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	18	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 17A1 (Homo sapiens (Human))	BDBM50338356 ((+)-7-[1-Hydroxy-1-(1H-imidazol-4-yl)-2-methylprop...) Show SMILES CC(C)C(O)(c1cnc[nH]1)c1ccc2c3CNC(=O)c3ccc2c1 Show InChI InChI=1S/C19H19N3O2/c1-11(2)19(24,17-9-20-10-22-17)13-4-6-14-12(7-13)3-5-15-16(14)8-21-18(15)23/h3-7,9-11,24H,8H2,1-2H3,(H,20,22)(H,21,23)	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	60	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))	BDBM50338356 ((+)-7-[1-Hydroxy-1-(1H-imidazol-4-yl)-2-methylprop...) Show SMILES CC(C)C(O)(c1cnc[nH]1)c1ccc2c3CNC(=O)c3ccc2c1 Show InChI InChI=1S/C19H19N3O2/c1-11(2)19(24,17-9-20-10-22-17)13-4-6-14-12(7-13)3-5-15-16(14)8-21-18(15)23/h3-7,9-11,24H,8H2,1-2H3,(H,20,22)(H,21,23)	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	>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				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 P450c11B3 (Rattus norvegicus)	BDBM50338356 ((+)-7-[1-Hydroxy-1-(1H-imidazol-4-yl)-2-methylprop...) Show SMILES CC(C)C(O)(c1cnc[nH]1)c1ccc2c3CNC(=O)c3ccc2c1 Show InChI InChI=1S/C19H19N3O2/c1-11(2)19(24,17-9-20-10-22-17)13-4-6-14-12(7-13)3-5-15-16(14)8-21-18(15)23/h3-7,9-11,24H,8H2,1-2H3,(H,20,22)(H,21,23)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd Curated by ChEMBL					Assay Description Inhibition of 11-hydroxylase activity in Sprague-Dawley rat adrenal gland				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))	BDBM50338356 ((+)-7-[1-Hydroxy-1-(1H-imidazol-4-yl)-2-methylprop...) Show SMILES CC(C)C(O)(c1cnc[nH]1)c1ccc2c3CNC(=O)c3ccc2c1 Show InChI InChI=1S/C19H19N3O2/c1-11(2)19(24,17-9-20-10-22-17)13-4-6-14-12(7-13)3-5-15-16(14)8-21-18(15)23/h3-7,9-11,24H,8H2,1-2H3,(H,20,22)(H,21,23)	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	6.70E+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 3A4 (Homo sapiens (Human))	BDBM50338356 ((+)-7-[1-Hydroxy-1-(1H-imidazol-4-yl)-2-methylprop...) Show SMILES CC(C)C(O)(c1cnc[nH]1)c1ccc2c3CNC(=O)c3ccc2c1 Show InChI InChI=1S/C19H19N3O2/c1-11(2)19(24,17-9-20-10-22-17)13-4-6-14-12(7-13)3-5-15-16(14)8-21-18(15)23/h3-7,9-11,24H,8H2,1-2H3,(H,20,22)(H,21,23)	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	7.40E+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))	BDBM50338356 ((+)-7-[1-Hydroxy-1-(1H-imidazol-4-yl)-2-methylprop...) Show SMILES CC(C)C(O)(c1cnc[nH]1)c1ccc2c3CNC(=O)c3ccc2c1 Show InChI InChI=1S/C19H19N3O2/c1-11(2)19(24,17-9-20-10-22-17)13-4-6-14-12(7-13)3-5-15-16(14)8-21-18(15)23/h3-7,9-11,24H,8H2,1-2H3,(H,20,22)(H,21,23)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	180	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