BDBM50395721 CHEMBL2164106

SMILES: FC(F)(F)c1ccc(cc1)S(=O)(=O)NC[C@H]1CCCN1c1ncnc(NCc2csc(n2)-c2cccs2)n1

InChI Key: InChIKey=BWCYOFVECTXJOZ-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 = 50395721   

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 5 (ADAMTS-5) (Homo sapiens (Human))	BDBM50395721 (CHEMBL2164106) Show SMILES FC(F)(F)c1ccc(cc1)S(=O)(=O)NC[C@H]1CCCN1c1ncnc(NCc2csc(n2)-c2cccs2)n1 |r| Show InChI InChI=1S/C23H22F3N7O2S3/c24-23(25,26)15-5-7-18(8-6-15)38(34,35)30-12-17-3-1-9-33(17)22-29-14-28-21(32-22)27-11-16-13-37-20(31-16)19-4-2-10-36-19/h2,4-8,10,13-14,17,30H,1,3,9,11-12H2,(H,27,28,29,32)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human ADAMTS-5 expressed in CHO cells using WAAG-3R as substrate preincubated for 15 mins measured after 1 hr by FRET assay				J Med Chem 55: 7061-79 (2012) Article DOI: 10.1021/jm300449x BindingDB Entry DOI: 10.7270/Q2RX9D6T
					More data for this Ligand-Target Pair