Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50305846'   

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))	BDBM50305846 (CHEMBL596522 | trans-4-((5-(2-(benzylcarbamoyl)-6-...) Show SMILES Cc1cc(cc(n1)C(=O)NCc1ccccc1)-c1nnn(C[C@H]2CC[C@@H](CC2)C(O)=O)n1 |r,wU:25.30,wD:22.23,(3.41,-10.19,;2.62,-8.87,;3.37,-7.53,;2.58,-6.21,;1.04,-6.23,;.28,-7.57,;1.07,-8.9,;-1.26,-7.59,;-2.01,-8.93,;-2.04,-6.27,;-3.58,-6.29,;-4.37,-4.96,;-3.62,-3.62,;-4.41,-2.3,;-5.95,-2.32,;-6.7,-3.67,;-5.91,-4.99,;3.33,-4.87,;2.69,-3.46,;3.82,-2.42,;5.17,-3.17,;6.57,-2.52,;7.91,-3.27,;7.93,-4.81,;9.28,-5.56,;10.6,-4.76,;10.57,-3.22,;9.23,-2.48,;11.95,-5.51,;11.98,-7.05,;13.27,-4.72,;4.87,-4.68,)| Show InChI InChI=1S/C23H26N6O3/c1-15-11-19(12-20(25-15)22(30)24-13-16-5-3-2-4-6-16)21-26-28-29(27-21)14-17-7-9-18(10-8-17)23(31)32/h2-6,11-12,17-18H,7-10,13-14H2,1H3,(H,24,30)(H,31,32)/t17-,18-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31	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
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