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Compile Data Set for Download or QSAR

Found 4 hits with Last Name = 'arun' and Initial = 'kh'   
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
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50169047
PNG
((S)-2-(4-Isobutyl-phenyl)-propionic acid | (S)-2-(...)
Show SMILES CC(C)Cc1ccc(cc1)[C@H](C)C(O)=O |r|
Show InChI InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

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PDB
Article
PubMed
n/an/a 2.26E+3n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against ram seminal vescicle prostaglandin G/H synthase 1


Bioorg Med Chem Lett 14: 979-82 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.066
BindingDB Entry DOI: 10.7270/Q25M655Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50452027
PNG
(CHEMBL2096754)
Show SMILES C[C@H](C(O)=O)c1ccc(cc1)-c1ccsc1 |r|
Show InChI InChI=1S/C13H12O2S/c1-9(13(14)15)10-2-4-11(5-3-10)12-6-7-16-8-12/h2-9H,1H3,(H,14,15)/t9-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.52E+4n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against ram seminal vescicle prostaglandin G/H synthase 1


Bioorg Med Chem Lett 14: 979-82 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.066
BindingDB Entry DOI: 10.7270/Q25M655Z
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50452027
PNG
(CHEMBL2096754)
Show SMILES C[C@H](C(O)=O)c1ccc(cc1)-c1ccsc1 |r|
Show InChI InChI=1S/C13H12O2S/c1-9(13(14)15)10-2-4-11(5-3-10)12-6-7-16-8-12/h2-9H,1H3,(H,14,15)/t9-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.80E+5n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against sheep placenta Prostaglandin G/H synthase 2


Bioorg Med Chem Lett 14: 979-82 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.066
BindingDB Entry DOI: 10.7270/Q25M655Z
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50169047
PNG
((S)-2-(4-Isobutyl-phenyl)-propionic acid | (S)-2-(...)
Show SMILES CC(C)Cc1ccc(cc1)[C@H](C)C(O)=O |r|
Show InChI InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 2.66E+5n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against sheep placenta Prostaglandin G/H synthase 2


Bioorg Med Chem Lett 14: 979-82 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.066
BindingDB Entry DOI: 10.7270/Q25M655Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)