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 = 'BDBM50104631'   

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))	BDBM50104631 (CHEMBL3593541) Show SMILES CCC[C@H]1CNC(=O)C(=O)N1C[C@@H]1CCCN1C[C@H](Cc1ccc(O)cc1)N1C[C@@H](Cc2ccc(O)cc2)N(CCC23CC4CC(CC(C4)C2)C3)C(=O)C1=O |r,TLB:50:41:48:44.45.46,THB:46:45:42:48.47.49,46:47:44.45.50:42,50:45:48:41.42.49,40:41:48:44.45.46| Show InChI InChI=1S/C44H59N5O6/c1-2-4-34-25-45-40(52)41(53)48(34)27-35-5-3-15-46(35)26-36(20-29-6-10-38(50)11-7-29)49-28-37(21-30-8-12-39(51)13-9-30)47(42(54)43(49)55)16-14-44-22-31-17-32(23-44)19-33(18-31)24-44/h6-13,31-37,50-51H,2-5,14-28H2,1H3,(H,45,52)/t31?,32?,33?,34-,35-,36-,37+,44?/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	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
£Florida Atlantic University Curated by ChEMBL					Assay Description Inhibition of ADAM17 (unknown origin) preincubated for 30 mins followed by substrate addition measured every 30 mins for 2 hrs by fluorescence assay				J Med Chem 58: 5808-24 (2015) Article DOI: 10.1021/acs.jmedchem.5b00354 BindingDB Entry DOI: 10.7270/Q2MS3VJS
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