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Compile Data Set for Download or QSAR

Found 2 hits of kd for monomerid = 17638   
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
Serum albumin


(Homo sapiens (Human))
BDBM17638
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
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PC cid
PC sid
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PDB
Article
PubMed
n/an/an/a 700n/an/an/an/an/a



Department of Chemistry, University of Copenhagen , Frederiksberg 1870, Denmark.

Curated by ChEMBL




J Med Chem 60: 7434-7446 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00787
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclooxygenase


(Homo sapiens (Human))
BDBM17638
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
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PC cid
PC sid
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PDB
Article
PubMed
n/an/an/a 1.02E+3n/an/an/an/an/a



Panjab University



Assay Description
Inhibitory activity of the synthesized compounds on COX-1 and COX-2 enzymes were evaluated at 40 μm using the COX Inhibitor Screening Assay Kit ...


Bioorg Chem 71: 201-210 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.006
BindingDB Entry DOI: 10.7270/Q25T3JBP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)