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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil collagenase' and Ligand = 'BDBM50456785'   
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))		BDBM50456785
PNG
(CHEMBL4211771)
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)Nc1cccc(Br)c1)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc(Br)c1 |r|
Show InChI InChI=1S/C50H54Br2N4O5S/c1-32(2)40-28-35-22-23-45-49(3,24-13-25-50(45,4)48(59)55-42(26-33-14-7-5-8-15-33)46(57)53-38-20-11-18-36(51)29-38)41(35)31-44(40)62(60,61)56-43(27-34-16-9-6-10-17-34)47(58)54-39-21-12-19-37(52)30-39/h5-12,14-21,28-32,42-43,45,56H,13,22-27H2,1-4H3,(H,53,57)(H,54,58)(H,55,59)/t42-,43-,45+,49+,50+/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.75E+4n/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