BDBM50023771 CHEMBL3337695

SMILES: COc1cccc(c1)S(=O)(=O)N1CCCc2cc(Cc3cccnc3)ccc12

InChI Key: InChIKey=AOWCXLCQYCLKFT-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 = 50023771   

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 11B1, mitochondrial (Homo sapiens (Human))	BDBM50023771 (CHEMBL3337695) Show SMILES COc1cccc(c1)S(=O)(=O)N1CCCc2cc(Cc3cccnc3)ccc12 Show InChI InChI=1S/C22H22N2O3S/c1-27-20-7-2-8-21(15-20)28(25,26)24-12-4-6-19-14-17(9-10-22(19)24)13-18-5-3-11-23-16-18/h2-3,5,7-11,14-16H,4,6,12-13H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	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 V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate				J Med Chem 57: 7811-7 (2014) Article DOI: 10.1021/jm501004t BindingDB Entry DOI: 10.7270/Q2TQ634M
					More data for this Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2) (Homo sapiens (Human))	BDBM50023771 (CHEMBL3337695) Show SMILES COc1cccc(c1)S(=O)(=O)N1CCCc2cc(Cc3cccnc3)ccc12 Show InChI InChI=1S/C22H22N2O3S/c1-27-20-7-2-8-21(15-20)28(25,26)24-12-4-6-19-14-17(9-10-22(19)24)13-18-5-3-11-23-16-18/h2-3,5,7-11,14-16H,4,6,12-13H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	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 V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate				J Med Chem 57: 7811-7 (2014) Article DOI: 10.1021/jm501004t BindingDB Entry DOI: 10.7270/Q2TQ634M
					More data for this Ligand-Target Pair