Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Disintegrin and metalloproteinase domain-containing protein 17' and Ligand = 'BDBM50342968'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50342968 ((2R,3R)-N-((R)-1-(4-(1H-pyrazol-1-yl)phenyl)ethyl)...) Show SMILES COc1cc2CCN([C@@H](c3ccc(Cl)cc3)c2cc1OC)C(=O)[C@H](O)[C@@H](O)C(=O)N[C@H](C)c1ccc(cc1)-n1cccn1 |r| Show InChI InChI=1S/C32H33ClN4O6/c1-19(20-7-11-24(12-8-20)37-15-4-14-34-37)35-31(40)29(38)30(39)32(41)36-16-13-22-17-26(42-2)27(43-3)18-25(22)28(36)21-5-9-23(33)10-6-21/h4-12,14-15,17-19,28-30,38-39H,13,16H2,1-3H3,(H,35,40)/t19-,28+,29-,30-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of TACE				Bioorg Med Chem Lett 21: 3172-6 (2011) Article DOI: 10.1016/j.bmcl.2011.01.002 BindingDB Entry DOI: 10.7270/Q28P60T1
					More data for this Ligand-Target Pair