Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50523963'   

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))	BDBM50523963 (CHEMBL4452902) Show SMILES ONC(=O)[C@H]1CCCN1C(=O)c1ccc(cc1)C#Cc1ccc(CN2CCOCC2)cc1 |r| Show InChI InChI=1S/C25H27N3O4/c29-24(26-31)23-2-1-13-28(23)25(30)22-11-9-20(10-12-22)4-3-19-5-7-21(8-6-19)18-27-14-16-32-17-15-27/h5-12,23,31H,1-2,13-18H2,(H,26,29)/t23-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	636	n/a	n/a	n/a	n/a	n/a	n/a
University of Hamburg Curated by ChEMBL					Assay Description Inhibition of human MMP13 using (7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diamino-propionyl)Ala-Arg-NH2 as substrat...				Bioorg Med Chem 27: 1997-2018 (2019) Article DOI: 10.1016/j.bmc.2019.03.056 BindingDB Entry DOI: 10.7270/Q2VH5S8J
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