Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50203957'   

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
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50203957 (CHEMBL3900916) Show SMILES Clc1cccc(c1)-c1csc2nc([nH]c(=O)c12)C(=O)NCc1cccc(c1)-c1ccc(CS(=O)(=O)Cc2n[nH]c(=O)[nH]2)cc1 Show InChI InChI=1S/C30H23ClN6O5S2/c31-22-6-2-5-21(12-22)23-14-43-29-25(23)27(38)34-26(35-29)28(39)32-13-18-3-1-4-20(11-18)19-9-7-17(8-10-19)15-44(41,42)16-24-33-30(40)37-36-24/h1-12,14H,13,15-16H2,(H,32,39)(H,34,35,38)(H2,33,36,37,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	86	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of recombinant human AMPA-activated MMP2 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate measured after 40 mins by spectrofluorimetric method				Bioorg Med Chem 24: 6149-6165 (2016) Article DOI: 10.1016/j.bmc.2016.09.009 BindingDB Entry DOI: 10.7270/Q2H1341V
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