Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil collagenase' and Ligand = 'BDBM50456776'   

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
Neutrophil collagenase (Homo sapiens (Human))	BDBM50456776 (CHEMBL4216154) Show SMILES [H][C@@]12CCc3cc(C(C)C)c(cc3[C@@]1(C)CCC[C@@]2(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1C)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1C |r| Show InChI InChI=1S/C52H60N4O5S/c1-34(2)40-32-39-26-27-47-51(5,28-17-29-52(47,6)50(59)55-44(30-37-20-9-7-10-21-37)48(57)53-42-24-15-13-18-35(42)3)41(39)33-46(40)62(60,61)56-45(31-38-22-11-8-12-23-38)49(58)54-43-25-16-14-19-36(43)4/h7-16,18-25,32-34,44-45,47,56H,17,26-31H2,1-6H3,(H,53,57)(H,54,58)(H,55,59)/t44-,45-,47+,51+,52+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.43E+4	n/a	n/a	n/a	n/a	n/a	n/a
Southeast University Curated by ChEMBL					Assay Description Inhibition of recombinant human MMP8 (Phe21 to Gly467 residues) expressed in mouse myeloma cells using Mca-Pro-LeuGly-Leu-Dpa-Ala-Arg-NH2 as substrat...				Eur J Med Chem 138: 979-992 (2017) Article DOI: 10.1016/j.ejmech.2017.07.020 BindingDB Entry DOI: 10.7270/Q2R49TBN
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