BDBM50125718 1,3-di(5-chloro-2-methylsulfonylphenylcarboxamido)benzene::CHEMBL13604

SMILES: CS(=O)(=O)c1ccc(Cl)cc1C(=O)Nc1cccc(NC(=O)c2cc(Cl)ccc2S(C)(=O)=O)c1

InChI Key: InChIKey=KJVQAIUXGWJERR-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50125718   

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
Cyclophilin A (Rattus norvegicus)	BDBM50125718 (1,3-di(5-chloro-2-methylsulfonylphenylcarboxamido)...) Show SMILES CS(=O)(=O)c1ccc(Cl)cc1C(=O)Nc1cccc(NC(=O)c2cc(Cl)ccc2S(C)(=O)=O)c1 Show InChI InChI=1S/C22H18Cl2N2O6S2/c1-33(29,30)19-8-6-13(23)10-17(19)21(27)25-15-4-3-5-16(12-15)26-22(28)18-11-14(24)7-9-20(18)34(2,31)32/h3-12H,1-2H3,(H,25,27)(H,26,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
Guilford Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description In vitro inhibition of the rotamase activity of cyclophilin A (CyPA)				J Med Chem 46: 1112-5 (2003) Article DOI: 10.1021/jm020409u BindingDB Entry DOI: 10.7270/Q2V1244X
					More data for this Ligand-Target Pair