Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 346.8 BDBM50428333

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))	BDBM50428333 (CHEMBL2331701) Show SMILES Cc1nnc2CCc3cc(c(Cl)cc3-n12)-c1cncc2ccccc12 Show InChI InChI=1S/C20H15ClN4/c1-12-23-24-20-7-6-13-8-16(18(21)9-19(13)25(12)20)17-11-22-10-14-4-2-3-5-15(14)17/h2-5,8-11H,6-7H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Temple University Curated by ChEMBL					Assay Description Inhibition of human Cyp11B2 transfected in chinese hamster V79MZ cells using deoxycorticosterone as substrate incubated for 60 mins prior to substrat...				ACS Med Chem Lett 4: 375-6 (2013) Article DOI: 10.1021/ml4000589 BindingDB Entry DOI: 10.7270/Q26H4JRN
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM50428333 (CHEMBL2331701) Show SMILES Cc1nnc2CCc3cc(c(Cl)cc3-n12)-c1cncc2ccccc12 Show InChI InChI=1S/C20H15ClN4/c1-12-23-24-20-7-6-13-8-16(18(21)9-19(13)25(12)20)17-11-22-10-14-4-2-3-5-15(14)17/h2-5,8-11H,6-7H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Temple University Curated by ChEMBL					Assay Description Inhibition of human Cyp11B1 transfected in chinese hamster V79MZ cells using deoxycorticosterone as substrate incubated for 60 mins prior to substrat...				ACS Med Chem Lett 4: 375-6 (2013) Article DOI: 10.1021/ml4000589 BindingDB Entry DOI: 10.7270/Q26H4JRN
					More data for this Ligand-Target Pair