BDBM50438998 CHEMBL2420679

SMILES: COc1ccc2ccc(-c3cncc(F)c3)c(Cl)c2c1

InChI Key: InChIKey=RPIYHUIWRDPDMU-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50438998   

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 11B1, mitochondrial (Homo sapiens (Human))	BDBM50438998 (CHEMBL2420679) Show SMILES COc1ccc2ccc(-c3cncc(F)c3)c(Cl)c2c1 Show InChI InChI=1S/C16H11ClFNO/c1-20-13-4-2-10-3-5-14(16(17)15(10)7-13)11-6-12(18)9-19-8-11/h2-9H,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.42E+3	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University& Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) Curated by ChEMBL					Assay Description Inhibition of human CYP11B1 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate				J Med Chem 56: 6101-7 (2013) Article DOI: 10.1021/jm400484p BindingDB Entry DOI: 10.7270/Q2CJ8FX2
					More data for this Ligand-Target Pair
Cytochrome P450 19A1 (Homo sapiens (Human))	BDBM50438998 (CHEMBL2420679) Show SMILES COc1ccc2ccc(-c3cncc(F)c3)c(Cl)c2c1 Show InChI InChI=1S/C16H11ClFNO/c1-20-13-4-2-10-3-5-14(16(17)15(10)7-13)11-6-12(18)9-19-8-11/h2-9H,1H3	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	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University& Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) Curated by ChEMBL					Assay Description Inhibition of CYP19 in human placental microsomes using [1beta-3H]androstenedione as substrate by 3H2O-method				J Med Chem 56: 6101-7 (2013) Article DOI: 10.1021/jm400484p BindingDB Entry DOI: 10.7270/Q2CJ8FX2
					More data for this Ligand-Target Pair
Cytochrome P450 17A1 (Homo sapiens (Human))	BDBM50438998 (CHEMBL2420679) Show SMILES COc1ccc2ccc(-c3cncc(F)c3)c(Cl)c2c1 Show InChI InChI=1S/C16H11ClFNO/c1-20-13-4-2-10-3-5-14(16(17)15(10)7-13)11-6-12(18)9-19-8-11/h2-9H,1H3	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	454	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University& Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) Curated by ChEMBL					Assay Description Inhibition of human CYP17 expressed in Escherichia coli using 1,2[3H]-progesterone as substrate in presence of NADPH				J Med Chem 56: 6101-7 (2013) Article DOI: 10.1021/jm400484p BindingDB Entry DOI: 10.7270/Q2CJ8FX2
					More data for this Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2) (Homo sapiens (Human))	BDBM50438998 (CHEMBL2420679) Show SMILES COc1ccc2ccc(-c3cncc(F)c3)c(Cl)c2c1 Show InChI InChI=1S/C16H11ClFNO/c1-20-13-4-2-10-3-5-14(16(17)15(10)7-13)11-6-12(18)9-19-8-11/h2-9H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University& Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) Curated by ChEMBL					Assay Description Inhibition of human CYP11B2 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate				J Med Chem 56: 6101-7 (2013) Article DOI: 10.1021/jm400484p BindingDB Entry DOI: 10.7270/Q2CJ8FX2
					More data for this Ligand-Target Pair