Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'A disintegrin and metalloproteinase with thrombospondin motifs 1' and Ligand = 'BDBM379975'   

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 1 (Homo sapiens (Human))	BDBM379975 (US9926281, Compound 436) Show SMILES COCC(CC1(C)NC(=O)NC1=O)C(=O)N1CCN(CC1)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C19H24Cl2N4O4/c1-19(17(27)22-18(28)23-19)10-12(11-29-2)16(26)25-5-3-24(4-6-25)15-8-13(20)7-14(21)9-15/h7-9,12H,3-6,10-11H2,1-2H3,(H2,22,23,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant ADAMTS-1 (AA253 to 734) assessed as cleavage of fluorescent substrate using 5(6)-fluorescein-NH-AELQGRPISIAK-5(6)-TAM...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02008 BindingDB Entry DOI: 10.7270/Q21R6VBM
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