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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil collagenase' and Ligand = 'BDBM50456793'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Neutrophil collagenase


(Homo sapiens (Human))		BDBM50456793
PNG
(CHEMBL4214656)
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)Nc1ccccc1Br)S(O)(=O)=O |r|
Show InChI InChI=1S/C35H41BrN2O5S/c1-22(2)25-20-24-15-16-31-34(3,26(24)21-30(25)44(41,42)43)17-10-18-35(31,4)33(40)38-29(19-23-11-6-5-7-12-23)32(39)37-28-14-9-8-13-27(28)36/h5-9,11-14,20-22,29,31H,10,15-19H2,1-4H3,(H,37,39)(H,38,40)(H,41,42,43)/t29-,31-,34-,35-/m1/s1
PDB
MMDB

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PC cid
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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/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
More data for this
Ligand-Target Pair