Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'A disintegrin and metalloproteinase with thrombospondin motifs 5' and Ligand = 'BDBM379924'   

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
A disintegrin and metalloproteinase with thrombospondin motifs 5 (Homo sapiens (Human))	BDBM379924 (US9926281, Compound 410) Show SMILES CC(CC1(C)NC(=O)NC1=O)C(=O)N1CCN(CC1)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C18H22Cl2N4O3/c1-11(10-18(2)16(26)21-17(27)22-18)15(25)24-5-3-23(4-6-24)14-8-12(19)7-13(20)9-14/h7-9,11H,3-6,10H2,1-2H3,(H2,21,22,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant ADAMTS-5 assessed as cleavage of fluorescent substrate using FAM-TBIS-1 by biochemical assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02008 BindingDB Entry DOI: 10.7270/Q21R6VBM
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A disintegrin and metalloproteinase with thrombospondin motifs 5 (Homo sapiens (Human))	BDBM379924 (US9926281, Compound 410) Show SMILES CC(CC1(C)NC(=O)NC1=O)C(=O)N1CCN(CC1)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C18H22Cl2N4O3/c1-11(10-18(2)16(26)21-17(27)22-18)15(25)24-5-3-23(4-6-24)14-8-12(19)7-13(20)9-14/h7-9,11H,3-6,10H2,1-2H3,(H2,21,22,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago					Assay Description ADAMTS-5:Protocol 2: The basis for the assay is the cleavage of the substrate TBIS-1 (5 FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMT...				J Med Chem 51: 3437-48 (2008) BindingDB Entry DOI: 10.7270/Q27S7R3T
					More data for this Ligand-Target Pair