Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50298247'   

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))	BDBM50298247 (CHEMBL573367 | N-Hydroxy-5-(3-nitroguanidino)-2-(3...) Show SMILES NC(NCCC[C@H](NC(=O)CCc1ccccc1)C(=O)NO)=N[N+]([O-])=O |r,w:22.23| Show InChI InChI=1S/C15H22N6O5/c16-15(19-21(25)26)17-10-4-7-12(14(23)20-24)18-13(22)9-8-11-5-2-1-3-6-11/h1-3,5-6,12,24H,4,7-10H2,(H,18,22)(H,20,23)(H3,16,17,19)/t12-/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	1.64E+6	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