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PDB code 1JJ9

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 1 hit Enzyme Inhibition Constant Data   
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

  (163/163 = 100%)
(Homo sapiens (Human))
BDBM50028939
PNG
(CHEMBL1231240)
Show SMILES OCCC1CCN(CC1)[C@@]1(C(=O)NC(O)=NC1=O)c1ccccc1 |r,c:15|
Show InChI InChI=1S/C17H21N3O4/c21-11-8-12-6-9-20(10-7-12)17(13-4-2-1-3-5-13)14(22)18-16(24)19-15(17)23/h1-5,12,21H,6-11H2,(H2,18,19,22,23,24)
PDB
MMDB

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Similars

PDB
Article
PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



Universidad CEU San Pablo

Curated by ChEMBL


Assay Description
Inhibition of MMP8 (unknown origin)


J Med Chem 57: 10205-19 (2014)


Article DOI: 10.1021/jm500505f
BindingDB Entry DOI: 10.7270/Q2NK3GMC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output