BDBM183819 US9150526, 72

SMILES: COc1ccc(OC)c(-c2cc(Cl)cc(c2)C(CC(O)=O)c2ncc(C)s2)c1OC

InChI Key: InChIKey=SLGBTNGCRVLNOZ-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 = 183819   

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
Cathepsin A (CTSA) (Homo sapiens (Human))	BDBM183819 (US9150526, 72) Show SMILES COc1ccc(OC)c(-c2cc(Cl)cc(c2)C(CC(O)=O)c2ncc(C)s2)c1OC Show InChI InChI=1S/C22H22ClNO5S/c1-12-11-24-22(30-12)16(10-19(25)26)13-7-14(9-15(23)8-13)20-17(27-2)5-6-18(28-3)21(20)29-4/h5-9,11,16H,10H2,1-4H3,(H,25,26)	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	18	n/a	n/a	n/a	n/a	6.0	37
Sanofi US Patent					Assay Description Recombinant human cathepsin A (residues 29-480, with a C-terminal 10-His tag; R&D Systems, #1049-SE) was proteolytically activated with recombinant h...				US Patent US9150526 (2015) BindingDB Entry DOI: 10.7270/Q2QR4VXP
					More data for this Ligand-Target Pair