Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Disintegrin and metalloproteinase domain-containing protein 17' and Ligand = 'BDBM50204388'   

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))	BDBM50204388 ((3S,4S)-tert-butyl 3-(hydroxycarbamoyl)-4-(4-(2-me...) Show SMILES Cc1cc(Oc2ccc(cc2)C(=O)N[C@@H]2CN(C[C@@H]2C(=O)NO)C(=O)OC(C)(C)C)c2ccccc2n1 Show InChI InChI=1S/C27H30N4O6/c1-16-13-23(19-7-5-6-8-21(19)28-16)36-18-11-9-17(10-12-18)24(32)29-22-15-31(14-20(22)25(33)30-35)26(34)37-27(2,3)4/h5-13,20,22,35H,14-15H2,1-4H3,(H,29,32)(H,30,33)/t20-,22+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of pig TACE				Bioorg Med Chem Lett 17: 1865-70 (2007) Article DOI: 10.1016/j.bmcl.2007.01.041 BindingDB Entry DOI: 10.7270/Q2KK9BF4
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50204388 ((3S,4S)-tert-butyl 3-(hydroxycarbamoyl)-4-(4-(2-me...) Show SMILES Cc1cc(Oc2ccc(cc2)C(=O)N[C@@H]2CN(C[C@@H]2C(=O)NO)C(=O)OC(C)(C)C)c2ccccc2n1 Show InChI InChI=1S/C27H30N4O6/c1-16-13-23(19-7-5-6-8-21(19)28-16)36-18-11-9-17(10-12-18)24(32)29-22-15-31(14-20(22)25(33)30-35)26(34)37-27(2,3)4/h5-13,20,22,35H,14-15H2,1-4H3,(H,29,32)(H,30,33)/t20-,22+/m0/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	750	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of TACE in human whole blood				Bioorg Med Chem Lett 17: 1865-70 (2007) Article DOI: 10.1016/j.bmcl.2007.01.041 BindingDB Entry DOI: 10.7270/Q2KK9BF4
					More data for this Ligand-Target Pair