BindingDB logo
myBDB logout

PDB code 2VCW

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 2 hits 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
Hematopoietic prostaglandin D synthase

  (199/199 = 100%)
(Homo sapiens (Human))
BDBM21615
PNG
(1-phenyl-1H-pyrazole-4-carboxylic acid | Pyrazole,...)
Show SMILES OC(=O)c1cnn(c1)-c1ccccc1
Show InChI InChI=1S/C10H8N2O2/c13-10(14)8-6-11-12(7-8)9-4-2-1-3-5-9/h1-7H,(H,13,14)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Patents

MMDB
PDB
Article
PubMed
n/an/a 8.90E+5n/an/an/an/a7.222



AstraZeneca



Assay Description
The PGDS glutathione-S-transferase (GST) activity was measured by using MonoChloroBimane (MCB) as a chromogenic substrate. The assay was run at 384-w...


J Med Chem 51: 2178-86 (2008)


Article DOI: 10.1021/jm701509k
BindingDB Entry DOI: 10.7270/Q2Z036FR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hematopoietic prostaglandin D synthase

  (199/199 = 100%)
(Homo sapiens (Human))
BDBM21615
PNG
(1-phenyl-1H-pyrazole-4-carboxylic acid | Pyrazole,...)
Show SMILES OC(=O)c1cnn(c1)-c1ccccc1
Show InChI InChI=1S/C10H8N2O2/c13-10(14)8-6-11-12(7-8)9-4-2-1-3-5-9/h1-7H,(H,13,14)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Patents

MMDB
PDB
Article
PubMed
n/an/an/a 1.40E+5n/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human HPGDS expressed in Escherichia coli by isothermal titration calorimetry


Bioorg Med Chem Lett 25: 2496-500 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.065
BindingDB Entry DOI: 10.7270/Q2J9683M
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