BDBM50395615 CHEMBL2165314

SMILES: COc1cc2NC(=O)CCc2cc1-c1cccnc1

InChI Key: InChIKey=HFPLDSTVYTXMTH-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50395615   

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))	BDBM50395615 (CHEMBL2165314) Show SMILES COc1cc2NC(=O)CCc2cc1-c1cccnc1 Show InChI InChI=1S/C15H14N2O2/c1-19-14-8-13-10(4-5-15(18)17-13)7-12(14)11-3-2-6-16-9-11/h2-3,6-9H,4-5H2,1H3,(H,17,18)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.49E+3	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human CYP11B1 expressed in hamster fibroblast using 100 nM [3H]-11-deoxycorticosterone as substrate after 25 mins by HPLC analysis				Eur J Med Chem 96: 139-50 (2015) Article DOI: 10.1016/j.ejmech.2015.04.013 BindingDB Entry DOI: 10.7270/Q2WQ05HQ
					More data for this Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2) (Homo sapiens (Human))	BDBM50395615 (CHEMBL2165314) Show SMILES COc1cc2NC(=O)CCc2cc1-c1cccnc1 Show InChI InChI=1S/C15H14N2O2/c1-19-14-8-13-10(4-5-15(18)17-13)7-12(14)11-3-2-6-16-9-11/h2-3,6-9H,4-5H2,1H3,(H,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	268	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human CYP11B2 expressed in hamster fibroblast using 100 nM [3H]-11-deoxycorticosterone as substrate after 45 mins by HPLC analysis				Eur J Med Chem 96: 139-50 (2015) Article DOI: 10.1016/j.ejmech.2015.04.013 BindingDB Entry DOI: 10.7270/Q2WQ05HQ
					More data for this Ligand-Target Pair
Cytochrome P450 17A1 (Homo sapiens (Human))	BDBM50395615 (CHEMBL2165314) Show SMILES COc1cc2NC(=O)CCc2cc1-c1cccnc1 Show InChI InChI=1S/C15H14N2O2/c1-19-14-8-13-10(4-5-15(18)17-13)7-12(14)11-3-2-6-16-9-11/h2-3,6-9H,4-5H2,1H3,(H,17,18)	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	>1.00E+4	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 progesterone as a substrate				J Med Chem 55: 7080-9 (2012) Article DOI: 10.1021/jm3004637 BindingDB Entry DOI: 10.7270/Q2542PPJ
					More data for this Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2) (Homo sapiens (Human))	BDBM50395615 (CHEMBL2165314) Show SMILES COc1cc2NC(=O)CCc2cc1-c1cccnc1 Show InChI InChI=1S/C15H14N2O2/c1-19-14-8-13-10(4-5-15(18)17-13)7-12(14)11-3-2-6-16-9-11/h2-3,6-9H,4-5H2,1H3,(H,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	268	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 V79MZh cells using [14C]-11-deoxycorticosterone as substrate by HPTLC/phosphoimaging method				J Med Chem 55: 7080-9 (2012) Article DOI: 10.1021/jm3004637 BindingDB Entry DOI: 10.7270/Q2542PPJ
					More data for this Ligand-Target Pair
Cytochrome P450 19A1 (Homo sapiens (Human))	BDBM50395615 (CHEMBL2165314) Show SMILES COc1cc2NC(=O)CCc2cc1-c1cccnc1 Show InChI InChI=1S/C15H14N2O2/c1-19-14-8-13-10(4-5-15(18)17-13)7-12(14)11-3-2-6-16-9-11/h2-3,6-9H,4-5H2,1H3,(H,17,18)	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	447	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]-androstendione as a substrate				J Med Chem 55: 7080-9 (2012) Article DOI: 10.1021/jm3004637 BindingDB Entry DOI: 10.7270/Q2542PPJ
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM50395615 (CHEMBL2165314) Show SMILES COc1cc2NC(=O)CCc2cc1-c1cccnc1 Show InChI InChI=1S/C15H14N2O2/c1-19-14-8-13-10(4-5-15(18)17-13)7-12(14)11-3-2-6-16-9-11/h2-3,6-9H,4-5H2,1H3,(H,17,18)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.87E+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 V79MZh cells using [14C]-11-deoxycorticosterone as substrate by HPTLC/phosphoimaging method				J Med Chem 55: 7080-9 (2012) Article DOI: 10.1021/jm3004637 BindingDB Entry DOI: 10.7270/Q2542PPJ
					More data for this Ligand-Target Pair