Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50298268'   

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))	BDBM50298268 (CHEMBL583183 | N-(1-(Hydroxyamino)-5-(3-nitroguani...) Show SMILES NC(NCCC[C@H](NC(=O)c1cccs1)C(=O)NO)=N[N+]([O-])=O |r,w:19.20| Show InChI InChI=1S/C11H16N6O5S/c12-11(15-17(21)22)13-5-1-3-7(9(18)16-20)14-10(19)8-4-2-6-23-8/h2,4,6-7,20H,1,3,5H2,(H,14,19)(H,16,18)(H3,12,13,15)/t7-/m0/s1	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	2.26E+5	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