Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50227993'   

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))	BDBM50227993 ((6S,7S)-6-[4-(3-ethyl-phenyl)-3,6-dihydro-2H-pyrid...) Show SMILES CCc1cccc(c1)C1=CCN(CC1)C(=O)[C@H]1NCC2(CC2)C[C@@H]1C(=O)NO |t:9| Show InChI InChI=1S/C22H29N3O3/c1-2-15-4-3-5-17(12-15)16-6-10-25(11-7-16)21(27)19-18(20(26)24-28)13-22(8-9-22)14-23-19/h3-6,12,18-19,23,28H,2,7-11,13-14H2,1H3,(H,24,26)/t18-,19-/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	21	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Binding affinity to MMP2				Bioorg Med Chem Lett 18: 159-63 (2008) Article DOI: 10.1016/j.bmcl.2007.10.108 BindingDB Entry DOI: 10.7270/Q2GM8720
					More data for this Ligand-Target Pair