Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50418803'   

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))	BDBM50418803 (CHEMBL1796296) Show SMILES OC1(CN2CCC1CC2)C#Cc1ccc(Oc2ccc(cc2)C(=O)NCc2ccncc2)cc1 |(2.31,-40.59,;1.55,-41.94,;3.09,-41.93,;3.86,-43.26,;3.09,-44.6,;1.55,-44.6,;.78,-43.27,;2.1,-42.49,;2.5,-43.97,;.78,-40.6,;.01,-39.27,;-.77,-37.94,;-2.31,-37.94,;-3.08,-36.6,;-2.31,-35.27,;-3.08,-33.93,;-4.62,-33.93,;-5.39,-35.26,;-6.93,-35.26,;-7.69,-33.94,;-6.93,-32.61,;-5.39,-32.6,;-9.24,-33.94,;-10.01,-32.61,;-10,-35.28,;-11.56,-35.28,;-12.33,-33.95,;-11.56,-32.62,;-12.33,-31.28,;-13.87,-31.29,;-14.64,-32.63,;-13.87,-33.96,;-.77,-35.26,;0,-36.59,)| Show InChI InChI=1S/C28H27N3O3/c32-27(30-19-22-10-15-29-16-11-22)23-3-7-26(8-4-23)34-25-5-1-21(2-6-25)9-14-28(33)20-31-17-12-24(28)13-18-31/h1-8,10-11,15-16,24,33H,12-13,17-20H2,(H,30,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP13 using Mca-Pro-cyclohexyl-Ala-Gly-Nva-His-Ala-Dap(Dnp)-NH2 substrate				Bioorg Med Chem Lett 21: 4215-9 (2011) Article DOI: 10.1016/j.bmcl.2011.05.075 BindingDB Entry DOI: 10.7270/Q2WH2R89
					More data for this Ligand-Target Pair				3D Structure (crystal)