Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50478551'   

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))	BDBM50478551 (CHEMBL462863 | Sodium 1-(12-Hydroxy)Octadecanyl Su...) Show SMILES [Na;v0+].[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](-[#8])-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#8]S([#8-])(=O)=O Show InChI InChI=1S/C18H38O5S.Na/c1-2-3-4-12-15-18(19)16-13-10-8-6-5-7-9-11-14-17-23-24(20,21)22;/h18-19H,2-17H2,1H3,(H,20,21,22);/q;+1/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.31E+4	n/a	n/a	n/a	n/a	n/a	n/a
the University of Tokyo Curated by ChEMBL					Assay Description Inhibition of recombinant MMP2				J Nat Prod 65: 1936-8 (2002) Article DOI: 10.1021/np020250o BindingDB Entry DOI: 10.7270/Q27S7RMJ
					More data for this Ligand-Target Pair