Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50298267'   

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))	BDBM50298267 (CHEMBL574274 | N-(1-(Hydroxyamino)-5-(3-nitroguani...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(=O)NO |r,w:22.23| Show InChI InChI=1S/C16H24N6O8/c1-28-11-7-9(8-12(29-2)13(11)30-3)14(23)19-10(15(24)21-25)5-4-6-18-16(17)20-22(26)27/h7-8,10,25H,4-6H2,1-3H3,(H,19,23)(H,21,24)(H3,17,18,20)/t10-/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	4.11E+4	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