Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50267360'   

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))	BDBM50267360 ((R)-5-(4-Bromo-2-fluorobenzylamino)-5-oxo-4-(3,4,5...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N[C@H](CCC(O)=O)C(=O)NCc1ccc(Br)cc1F |r| Show InChI InChI=1S/C22H24BrFN2O7/c1-31-17-8-13(9-18(32-2)20(17)33-3)21(29)26-16(6-7-19(27)28)22(30)25-11-12-4-5-14(23)10-15(12)24/h4-5,8-10,16H,6-7,11H2,1-3H3,(H,25,30)(H,26,29)(H,27,28)/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.61E+4	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of MMP2 by spectrophotometry				Bioorg Med Chem 17: 3053-60 (2009) Article DOI: 10.1016/j.bmc.2009.02.063 BindingDB Entry DOI: 10.7270/Q2NP25BQ
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