Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'A disintegrin and metalloproteinase with thrombospondin motifs 5' and Ligand = 'BDBM429779'   

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))	BDBM429779 (5-[3-[4-(4- chloro-3- fluoro-5- methoxy- phenyl)-1...) Show SMILES COC[C@]1(C[C@H](C)C(=O)N2CCC(CC2)c2cc(F)c(Cl)c(OC)c2)NC(=O)NC1=O |r| Show InChI InChI=1S/C21H27ClFN3O5/c1-12(10-21(11-30-2)19(28)24-20(29)25-21)18(27)26-6-4-13(5-7-26)14-8-15(23)17(22)16(9-14)31-3/h8-9,12-13H,4-7,10-11H2,1-3H3,(H2,24,25,28,29)/t12-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12.5	n/a	n/a	n/a	n/a	n/a	n/a
GALAPAGOS NV US Patent					Assay Description 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 ADAMTS-5.For the dose res...				US Patent US10550100 (2020) BindingDB Entry DOI: 10.7270/Q2D2211N
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