Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'A disintegrin and metalloproteinase with thrombospondin motifs 5' and Ligand = 'BDBM379558'   

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))	BDBM379558 (US9926281, Compound 40) Show SMILES CC1(CCC(=O)N2CCN(CC2)c2cc(Cl)cc(Cl)c2)NC(=O)NC1=O Show InChI InChI=1S/C17H20Cl2N4O3/c1-17(15(25)20-16(26)21-17)3-2-14(24)23-6-4-22(5-7-23)13-9-11(18)8-12(19)10-13/h8-10H,2-7H2,1H3,(H2,20,21,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	164	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
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (Homo sapiens (Human))	BDBM379558 (US9926281, Compound 40) Show SMILES CC1(CCC(=O)N2CCN(CC2)c2cc(Cl)cc(Cl)c2)NC(=O)NC1=O Show InChI InChI=1S/C17H20Cl2N4O3/c1-17(15(25)20-16(26)21-17)3-2-14(24)23-6-4-22(5-7-23)13-9-11(18)8-12(19)10-13/h8-10H,2-7H2,1H3,(H2,20,21,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	186	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago					Assay Description ADAMTS-5:Protocol 1: 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
A disintegrin and metalloproteinase with thrombospondin motifs 5 (Homo sapiens (Human))	BDBM379558 (US9926281, Compound 40) Show SMILES CC1(CCC(=O)N2CCN(CC2)c2cc(Cl)cc(Cl)c2)NC(=O)NC1=O Show InChI InChI=1S/C17H20Cl2N4O3/c1-17(15(25)20-16(26)21-17)3-2-14(24)23-6-4-22(5-7-23)13-9-11(18)8-12(19)10-13/h8-10H,2-7H2,1H3,(H2,20,21,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	243	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