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 = 'BDBM379599'   

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))	BDBM379599 (US9926281, Compound 96) Show SMILES Fc1ccc(cc1Cl)N1CCN(CC1)C(=O)CCC1(NC(=O)NC1=O)c1ccccn1 Show InChI InChI=1S/C21H21ClFN5O3/c22-15-13-14(4-5-16(15)23)27-9-11-28(12-10-27)18(29)6-7-21(17-3-1-2-8-24-17)19(30)25-20(31)26-21/h1-5,8,13H,6-7,9-12H2,(H2,25,26,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	631	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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