Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50298246'   

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))	BDBM50298246 (CHEMBL584358 | N-Hydroxy-5-(3-nitroguanidino)-2-(2...) Show SMILES NC(NCCC[C@H](NC(=O)Cc1ccccc1)C(=O)NO)=N[N+]([O-])=O |r,w:21.22| Show InChI InChI=1S/C14H20N6O5/c15-14(18-20(24)25)16-8-4-7-11(13(22)19-23)17-12(21)9-10-5-2-1-3-6-10/h1-3,5-6,11,23H,4,7-9H2,(H,17,21)(H,19,22)(H3,15,16,18)/t11-/m0/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	8.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of MMP2				Bioorg Med Chem 17: 4666-73 (2009) Article DOI: 10.1016/j.bmc.2009.04.056 BindingDB Entry DOI: 10.7270/Q2D21XN3
					More data for this Ligand-Target Pair