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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Hematopoietic prostaglandin D synthase' and Ligand = 'BDBM50550010'   
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


(Homo sapiens (Human))
BDBM50550010
PNG
(CHEMBL4762935)
Show SMILES O=C(CCOCCOCCOCCOCCOCCNc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12)N1CCN(CC1)C(=O)C1CCN(CC1)c1ccc(NC(=O)c2cnc(Oc3ccccc3)nc2)cc1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 266n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human HPGDS expressed in Escherichia coli BL21 (DE3) measured after 3 mins by spectrophotometric analysis


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00605
BindingDB Entry DOI: 10.7270/Q2348Q13
More data for this
Ligand-Target Pair
Hematopoietic prostaglandin D synthase


(Homo sapiens (Human))
BDBM50550010
PNG
(CHEMBL4762935)
Show SMILES O=C(CCOCCOCCOCCOCCOCCNc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12)N1CCN(CC1)C(=O)C1CCN(CC1)c1ccc(NC(=O)c2cnc(Oc3ccccc3)nc2)cc1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 320n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to recombinant human HPGDS expressed in Escherichia coli BL21 (DE3) measured after 1 hr by fluorescence polarization assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00605
BindingDB Entry DOI: 10.7270/Q2348Q13
More data for this
Ligand-Target Pair