Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 429.4 BDBM50038693

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))	BDBM50038693 (CHEMBL3354860) Show SMILES Oc1c(cc2ccccc2c1[S+]([O-])c1ccccc1OC(F)(F)F)-c1cccnc1 Show InChI InChI=1S/C22H14F3NO3S/c23-22(24,25)29-18-9-3-4-10-19(18)30(28)21-16-8-2-1-6-14(16)12-17(20(21)27)15-7-5-11-26-13-15/h1-13,27H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	56	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))	BDBM50038693 (CHEMBL3354860) Show SMILES Oc1c(cc2ccccc2c1[S+]([O-])c1ccccc1OC(F)(F)F)-c1cccnc1 Show InChI InChI=1S/C22H14F3NO3S/c23-22(24,25)29-18-9-3-4-10-19(18)30(28)21-16-8-2-1-6-14(16)12-17(20(21)27)15-7-5-11-26-13-15/h1-13,27H	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.71E+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