Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50450407'   

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))	BDBM50450407 (CHEMBL4164676) Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(CSc2nc3sccc3c(=O)[nH]2)c(F)c1)C(C)C |r| Show InChI InChI=1S/C24H23FN4O4S2/c1-12(2)19(22(32)26-3)27-21(31)18-7-6-17(33-18)13-4-5-14(16(25)10-13)11-35-24-28-20(30)15-8-9-34-23(15)29-24/h4-10,12,19H,11H2,1-3H3,(H,26,32)(H,27,31)(H,28,29,30)/t19-/m0/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	8.40	n/a	n/a	n/a	n/a	n/a	n/a
Graz University of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human full length MMP13 expressed in mouse NS0 cells using fTHP-15 as substrate preincubated for 30 mins followed by substr...				Bioorg Med Chem 26: 4984-4995 (2018) Article DOI: 10.1016/j.bmc.2018.08.020 BindingDB Entry DOI: 10.7270/Q25141SR
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