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 = 'BDBM50136263'   

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 (Sus scrofa (pig))	BDBM50136263 ((3R,4S)-Piperidine-1,3,4-tricarboxylic acid 1-tert...) Show SMILES Cc1cc(COc2ccc(NC(=O)[C@H]3CCN(C[C@@H]3C(=O)NO)C(=O)NC(C)(C)C)cc2)c2ccccc2n1 Show InChI InChI=1S/C29H35N5O5/c1-18-15-19(22-7-5-6-8-25(22)30-18)17-39-21-11-9-20(10-12-21)31-26(35)23-13-14-34(16-24(23)27(36)33-38)28(37)32-29(2,3)4/h5-12,15,23-24,38H,13-14,16-17H2,1-4H3,(H,31,35)(H,32,37)(H,33,36)/t23-,24-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.410	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro binding affinity against porcine TACE				Bioorg Med Chem Lett 13: 4299-304 (2003) BindingDB Entry DOI: 10.7270/Q2PG1R4X
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