BDBM50038629 CHEMBL3354849

SMILES: Oc1c(cc2ccccc2c1[S+]([O-])c1ccccc1)-c1cccnc1

InChI Key: InChIKey=LRJPVCBOKXCHNS-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50038629   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cytochrome P450 11B2 (CYP11B2) (Homo sapiens (Human))	BDBM50038629 (CHEMBL3354849) Show SMILES Oc1c(cc2ccccc2c1[S+]([O-])c1ccccc1)-c1cccnc1 Show InChI InChI=1S/C21H15NO2S/c23-20-19(16-8-6-12-22-14-16)13-15-7-4-5-11-18(15)21(20)25(24)17-9-2-1-3-10-17/h1-14,23H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	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))	BDBM50038629 (CHEMBL3354849) Show SMILES Oc1c(cc2ccccc2c1[S+]([O-])c1ccccc1)-c1cccnc1 Show InChI InChI=1S/C21H15NO2S/c23-20-19(16-8-6-12-22-14-16)13-15-7-4-5-11-18(15)21(20)25(24)17-9-2-1-3-10-17/h1-14,23H	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.71E+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