BDBM50439000 CHEMBL2420677

SMILES: COc1ccc2ccc(-c3cccnc3)c(Cl)c2c1F

InChI Key: InChIKey=HXMFOYHQXLDGBG-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 = 50439000   

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))	BDBM50439000 (CHEMBL2420677) Show SMILES COc1ccc2ccc(-c3cccnc3)c(Cl)c2c1F Show InChI InChI=1S/C16H11ClFNO/c1-20-13-7-5-10-4-6-12(11-3-2-8-19-9-11)15(17)14(10)16(13)18/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	2.94E+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))	BDBM50439000 (CHEMBL2420677) Show SMILES COc1ccc2ccc(-c3cccnc3)c(Cl)c2c1F Show InChI InChI=1S/C16H11ClFNO/c1-20-13-7-5-10-4-6-12(11-3-2-8-19-9-11)15(17)14(10)16(13)18/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))	BDBM50439000 (CHEMBL2420677) Show SMILES COc1ccc2ccc(-c3cccnc3)c(Cl)c2c1F Show InChI InChI=1S/C16H11ClFNO/c1-20-13-7-5-10-4-6-12(11-3-2-8-19-9-11)15(17)14(10)16(13)18/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	147	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))	BDBM50439000 (CHEMBL2420677) Show SMILES COc1ccc2ccc(-c3cccnc3)c(Cl)c2c1F Show InChI InChI=1S/C16H11ClFNO/c1-20-13-7-5-10-4-6-12(11-3-2-8-19-9-11)15(17)14(10)16(13)18/h2-9H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	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