Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 347.3 BDBM50395453

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50395453 (CHEMBL2163644) Show SMILES Fc1ccc(cc1)C(c1cc2CCN3c2c(CCC3=O)c1)n1ccnc1 Show InChI InChI=1S/C21H18FN3O/c22-18-4-1-14(2-5-18)20(24-10-8-23-13-24)17-11-15-3-6-19(26)25-9-7-16(12-17)21(15)25/h1-2,4-5,8,10-13,20H,3,6-7,9H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) Curated by ChEMBL					Assay Description Inhibition of human CYP11B1 expressed in hamster V79 MZh cells using deoxycorticosterone substrate				J Med Chem 55: 6629-33 (2012) Article DOI: 10.1021/jm3003872 BindingDB Entry DOI: 10.7270/Q2Q241CP
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50395453 (CHEMBL2163644) Show SMILES Fc1ccc(cc1)C(c1cc2CCN3c2c(CCC3=O)c1)n1ccnc1 Show InChI InChI=1S/C21H18FN3O/c22-18-4-1-14(2-5-18)20(24-10-8-23-13-24)17-11-15-3-6-19(26)25-9-7-16(12-17)21(15)25/h1-2,4-5,8,10-13,20H,3,6-7,9H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) Curated by ChEMBL					Assay Description Inhibition of human CYP11B2 expressed in hamster V79 MZh cells using deoxycorticosterone substrate				J Med Chem 55: 6629-33 (2012) Article DOI: 10.1021/jm3003872 BindingDB Entry DOI: 10.7270/Q2Q241CP
					More data for this Ligand-Target Pair