Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50026710'   

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))	BDBM50026710 (CHEMBL1940297) Show SMILES OC(=O)c1ccc(Oc2ccc(cc2)C#C[C@]2(O)CN3CCC2CC3)cc1 |r,wU:16.17,(-10.39,2.07,;-9.05,2.84,;-9.05,4.38,;-7.72,2.06,;-6.38,2.83,;-5.05,2.05,;-5.06,.51,;-3.73,-.27,;-2.39,.5,;-2.38,2.04,;-1.04,2.8,;.29,2.01,;.28,.48,;-1.05,-.28,;1.63,2.77,;2.97,3.54,;4.28,4.32,;4.26,2.8,;4.25,5.85,;5.57,6.63,;7.69,6.2,;7.73,4.03,;5.6,3.58,;6.89,4.36,;6.88,5.86,;-6.39,-.26,;-7.72,.51,)| Show InChI InChI=1S/C22H21NO4/c24-21(25)17-3-7-20(8-4-17)27-19-5-1-16(2-6-19)9-12-22(26)15-23-13-10-18(22)11-14-23/h1-8,18,26H,10-11,13-15H2,(H,24,25)/t22-/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	5.01E+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
					More data for this Ligand-Target Pair