Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50305853'   

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
Collagenase 3 (Homo sapiens (Human))	BDBM50305853 (CHEMBL595842 | trans-4-((5-(2-(3,4-difluorobenzylc...) Show SMILES Cc1cc(cc(n1)C(=O)NCc1ccc(F)c(F)c1)-c1nnn(C[C@H]2CC[C@@H](CC2)C(O)=O)n1 |r,wU:27.32,wD:24.25,(31.3,-8.85,;30.5,-7.53,;31.25,-6.18,;30.46,-4.86,;28.92,-4.88,;28.17,-6.23,;28.95,-7.55,;26.63,-6.24,;25.87,-7.59,;25.84,-4.92,;24.3,-4.94,;23.51,-3.62,;24.26,-2.28,;23.48,-.95,;21.94,-.97,;21.15,.35,;21.18,-2.32,;19.64,-2.35,;21.97,-3.64,;31.22,-3.52,;30.58,-2.12,;31.71,-1.07,;33.05,-1.82,;34.45,-1.18,;35.79,-1.93,;35.82,-3.46,;37.16,-4.21,;38.48,-3.42,;38.45,-1.87,;37.11,-1.13,;39.84,-4.17,;39.86,-5.71,;41.16,-3.38,;32.75,-3.33,)| Show InChI InChI=1S/C23H24F2N6O3/c1-13-8-17(10-20(27-13)22(32)26-11-15-4-7-18(24)19(25)9-15)21-28-30-31(29-21)12-14-2-5-16(6-3-14)23(33)34/h4,7-10,14,16H,2-3,5-6,11-12H2,1H3,(H,26,32)(H,33,34)/t14-,16-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant full length MMP13 assessed as type 3 collagen cleavage activity after 18 hrs				Bioorg Med Chem Lett 20: 576-80 (2010) Article DOI: 10.1016/j.bmcl.2009.11.081 BindingDB Entry DOI: 10.7270/Q2JS9QHB
					More data for this Ligand-Target Pair