Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 367.8 BDBM50323352

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))	BDBM50323352 (6-[(R)-1-(4-Chloro-phenyl)-ethyl]-4-isobutyl-6,7-d...) Show SMILES CC(C)CC1n2cncc2CN([C@H](C)c2ccc(Cl)cc2)S1(=O)=O |r| Show InChI InChI=1S/C17H22ClN3O2S/c1-12(2)8-17-20-11-19-9-16(20)10-21(24(17,22)23)13(3)14-4-6-15(18)7-5-14/h4-7,9,11-13,17H,8,10H2,1-3H3/t13-,17?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	61.7	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP11B2 by cell-based assay				Bioorg Med Chem Lett 20: 4324-7 (2010) Article DOI: 10.1016/j.bmcl.2010.06.086 BindingDB Entry DOI: 10.7270/Q2QJ7HGS
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM50323352 (6-[(R)-1-(4-Chloro-phenyl)-ethyl]-4-isobutyl-6,7-d...) Show SMILES CC(C)CC1n2cncc2CN([C@H](C)c2ccc(Cl)cc2)S1(=O)=O |r| Show InChI InChI=1S/C17H22ClN3O2S/c1-12(2)8-17-20-11-19-9-16(20)10-21(24(17,22)23)13(3)14-4-6-15(18)7-5-14/h4-7,9,11-13,17H,8,10H2,1-3H3/t13-,17?/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	204	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP11B1 by cell-based assay				Bioorg Med Chem Lett 20: 4324-7 (2010) Article DOI: 10.1016/j.bmcl.2010.06.086 BindingDB Entry DOI: 10.7270/Q2QJ7HGS
					More data for this Ligand-Target Pair