BDBM50356228 CHEMBL1910442

SMILES: CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1cccc(CN)c1)C(O)=O

InChI Key: InChIKey=BKXFMZRHOVWRTG-QGZVFWFLSA-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 = 50356228   

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
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4) (Homo sapiens (Human))	BDBM50356228 (CHEMBL1910442) Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1cccc(CN)c1)C(O)=O |r| Show InChI InChI=1S/C18H22N2O4S/c1-12(2)17(18(21)22)20-25(23,24)16-8-6-14(7-9-16)15-5-3-4-13(10-15)11-19/h3-10,12,17,20H,11,19H2,1-2H3,(H,21,22)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of aggrecanase-1				Bioorg Med Chem Lett 21: 6800-3 (2011) Article DOI: 10.1016/j.bmcl.2011.09.036 BindingDB Entry DOI: 10.7270/Q2BV7H23
					More data for this Ligand-Target Pair