Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 330.4 BDBM50122354

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 11B2, mitochondrial (Homo sapiens (Human))	BDBM50122354 (CHEMBL3622433) Show SMILES C1CCC(CC1)c1nnc2CCc3cc(ccc3-n12)-c1cccnc1 Show InChI InChI=1S/C21H22N4/c1-2-5-15(6-3-1)21-24-23-20-11-9-17-13-16(8-10-19(17)25(20)21)18-7-4-12-22-14-18/h4,7-8,10,12-15H,1-3,5-6,9,11H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human CYP11B2 expressed in V79 cells assessed as aldosterone level after 3 hrs by HTRF assay in presence of 125 nM 11-deoxycorticostero...				ACS Med Chem Lett 6: 861-5 (2015) Article DOI: 10.1021/acsmedchemlett.5b00048 BindingDB Entry DOI: 10.7270/Q2K939BB
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM50122354 (CHEMBL3622433) Show SMILES C1CCC(CC1)c1nnc2CCc3cc(ccc3-n12)-c1cccnc1 Show InChI InChI=1S/C21H22N4/c1-2-5-15(6-3-1)21-24-23-20-11-9-17-13-16(8-10-19(17)25(20)21)18-7-4-12-22-14-18/h4,7-8,10,12-15H,1-3,5-6,9,11H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>8.33E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human CYP11B1 expressed in V79 cells assessed as cortisol level after 3 hrs by HTRF assay in presence of 250 nM 11-deoxycortisol				ACS Med Chem Lett 6: 861-5 (2015) Article DOI: 10.1021/acsmedchemlett.5b00048 BindingDB Entry DOI: 10.7270/Q2K939BB
					More data for this Ligand-Target Pair