Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50305847'   

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))	BDBM50305847 (CHEMBL596304 | trans-4-((5-(2-(4-methoxybenzylcarb...) Show SMILES COc1ccc(CNC(=O)c2cc(cc(C)n2)-c2nnn(C[C@H]3CC[C@@H](CC3)C(O)=O)n2)cc1 |r,wU:25.29,wD:22.22,(-9.22,-14.95,;-7.68,-14.93,;-6.89,-16.25,;-5.35,-16.23,;-4.56,-17.55,;-5.31,-18.89,;-4.52,-20.22,;-2.98,-20.2,;-2.2,-21.52,;-2.95,-22.86,;-.66,-21.5,;.1,-20.16,;1.64,-20.14,;2.43,-21.46,;1.68,-22.8,;2.47,-24.12,;.13,-22.83,;2.39,-18.8,;1.75,-17.39,;2.88,-16.35,;4.23,-17.1,;5.62,-16.45,;6.97,-17.2,;6.99,-18.74,;8.34,-19.49,;9.66,-18.69,;9.63,-17.15,;8.28,-16.41,;11.01,-19.44,;11.04,-20.98,;12.33,-18.65,;3.92,-18.61,;-6.85,-18.92,;-7.64,-17.6,)| Show InChI InChI=1S/C24H28N6O4/c1-15-11-19(12-21(26-15)23(31)25-13-16-5-9-20(34-2)10-6-16)22-27-29-30(28-22)14-17-3-7-18(8-4-17)24(32)33/h5-6,9-12,17-18H,3-4,7-8,13-14H2,1-2H3,(H,25,31)(H,32,33)/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	4.20	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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