Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50247896'   

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))	BDBM50247896 ((2S,3R)-4-acetyl-N-(allyloxy)-3-methyl-1-(4-(4-met...) Show SMILES C[C@@H]1[C@H](N(CCN1C(C)=O)S(=O)(=O)c1ccc(OCc2ccc(C)cc2)cc1)C(=O)NOCC=C |r| Show InChI InChI=1S/C25H31N3O6S/c1-5-16-34-26-25(30)24-19(3)27(20(4)29)14-15-28(24)35(31,32)23-12-10-22(11-13-23)33-17-21-8-6-18(2)7-9-21/h5-13,19,24H,1,14-17H2,2-4H3,(H,26,30)/t19-,24+/m1/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	3	n/a	n/a	n/a	n/a	n/a	n/a
The M. S. University of Baroda Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem 17: 444-59 (2009) Article DOI: 10.1016/j.bmc.2008.11.067 BindingDB Entry DOI: 10.7270/Q2WH2QWZ
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