Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50103156'   

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))	BDBM50103156 (2-[Benzyl-(4-phenoxy-benzenesulfonyl)-amino]-N-hyd...) Show SMILES Cc1cc(C)c(N(Cc2ccccc2)S(=O)(=O)c2ccc(Oc3ccccc3)cc2)c(c1)C(=O)NO Show InChI InChI=1S/C28H26N2O5S/c1-20-17-21(2)27(26(18-20)28(31)29-32)30(19-22-9-5-3-6-10-22)36(33,34)25-15-13-24(14-16-25)35-23-11-7-4-8-12-23/h3-18,32H,19H2,1-2H3,(H,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of matrix metalloprotease-13				Bioorg Med Chem Lett 11: 2189-92 (2001) BindingDB Entry DOI: 10.7270/Q2154HK0
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