Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 379.8 BDBM50038635

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))	BDBM50038635 (CHEMBL3354853) Show SMILES Oc1c(cc2ccccc2c1[S+]([O-])c1ccc(Cl)cc1)-c1cccnc1 Show InChI InChI=1S/C21H14ClNO2S/c22-16-7-9-17(10-8-16)26(25)21-18-6-2-1-4-14(18)12-19(20(21)24)15-5-3-11-23-13-15/h1-13,24H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	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 V79MZ cells using [3H]-11-deoxycorticosterone as substrate after 1 hr by HPLC analysis				Eur J Med Chem 89: 597-605 (2014) Article DOI: 10.1016/j.ejmech.2014.10.027 BindingDB Entry DOI: 10.7270/Q2X068N3
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM50038635 (CHEMBL3354853) Show SMILES Oc1c(cc2ccccc2c1[S+]([O-])c1ccc(Cl)cc1)-c1cccnc1 Show InChI InChI=1S/C21H14ClNO2S/c22-16-7-9-17(10-8-16)26(25)21-18-6-2-1-4-14(18)12-19(20(21)24)15-5-3-11-23-13-15/h1-13,24H	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.95E+3	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 V79MZ cells using [3H]-11-deoxycorticosterone as substrate after 1 hr by HPLC analysis				Eur J Med Chem 89: 597-605 (2014) Article DOI: 10.1016/j.ejmech.2014.10.027 BindingDB Entry DOI: 10.7270/Q2X068N3
					More data for this Ligand-Target Pair