Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50233890'   

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))	BDBM50233890 (CHEMBL4094673) Show SMILES Cc1csc2nc([nH]c(=O)c12)C(=O)NCc1cccc(CNC(=O)c2nc[nH]n2)c1 Show InChI InChI=1S/C19H17N7O3S/c1-10-8-30-19-13(10)16(27)24-15(25-19)18(29)21-7-12-4-2-3-11(5-12)6-20-17(28)14-22-9-23-26-14/h2-5,8-9H,6-7H2,1H3,(H,20,28)(H,21,29)(H,22,23,26)(H,24,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	660	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of APMA-activated recombinant human MMP-2 using Cy3-PLGLK(Cy5Q)AR-NH2 peptide as substrate measured after 40 mins by spectrofluorimetric m...				J Med Chem 60: 608-626 (2017) Article DOI: 10.1021/acs.jmedchem.6b01007 BindingDB Entry DOI: 10.7270/Q2W95CF2
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