Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50026716'   

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))	BDBM50026716 (CHEMBL1940301) Show SMILES CN(C)C(=O)c1ccc(Oc2ccc(cc2)C#C[C@]2(O)CN3CCC2CC3)cc1 |r,wU:18.19,(-10.62,-20.03,;-9.3,-20.81,;-9.31,-22.35,;-7.96,-20.04,;-7.95,-18.5,;-6.62,-20.82,;-5.28,-20.06,;-3.95,-20.83,;-3.97,-22.37,;-2.63,-23.15,;-1.29,-22.39,;-1.28,-20.84,;.05,-20.08,;1.38,-20.87,;1.38,-22.4,;.04,-23.17,;2.72,-20.11,;4.06,-19.35,;5.37,-18.56,;5.36,-20.08,;5.35,-17.03,;6.67,-16.26,;8.79,-16.68,;8.82,-18.86,;6.7,-19.3,;7.99,-18.52,;7.97,-17.02,;-5.3,-23.14,;-6.63,-22.37,)| Show InChI InChI=1S/C24H26N2O3/c1-25(2)23(27)19-5-9-22(10-6-19)29-21-7-3-18(4-8-21)11-14-24(28)17-26-15-12-20(24)13-16-26/h3-10,20,28H,12-13,15-17H2,1-2H3/t24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human MMP13 using Mca-Pro-cyclohexyl-Ala-Gly-Nva-His-Ala- Dap(Dnp)-NH2 as substrate by fluorometric analysis				Bioorg Med Chem Lett 22: 271-7 (2011) Article DOI: 10.1016/j.bmcl.2011.11.034 BindingDB Entry DOI: 10.7270/Q20R9PTN
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