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 = 'BDBM50342954'   

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))	BDBM50342954 (CHEMBL1770820 | Rac-(2R,3R)-N-((R)-1-(4-(1H-pyrazo...) Show SMILES CNc1nc(cs1)C1(C)CCCN1C(=O)[C@H](O)[C@@H](O)C(=O)N[C@H](C)c1ccc(cc1)-n1cccn1 |r| Show InChI InChI=1S/C24H30N6O4S/c1-15(16-6-8-17(9-7-16)30-13-5-11-26-30)27-21(33)19(31)20(32)22(34)29-12-4-10-24(29,2)18-14-35-23(25-3)28-18/h5-9,11,13-15,19-20,31-32H,4,10,12H2,1-3H3,(H,25,28)(H,27,33)/t15-,19-,20-,24?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	9	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
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50342954 (CHEMBL1770820 | Rac-(2R,3R)-N-((R)-1-(4-(1H-pyrazo...) Show SMILES CNc1nc(cs1)C1(C)CCCN1C(=O)[C@H](O)[C@@H](O)C(=O)N[C@H](C)c1ccc(cc1)-n1cccn1 |r| Show InChI InChI=1S/C24H30N6O4S/c1-15(16-6-8-17(9-7-16)30-13-5-11-26-30)27-21(33)19(31)20(32)22(34)29-12-4-10-24(29,2)18-14-35-23(25-3)28-18/h5-9,11,13-15,19-20,31-32H,4,10,12H2,1-3H3,(H,25,28)(H,27,33)/t15-,19-,20-,24?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.38E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of TACE by cell based assay				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