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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'G protein-coupled receptor 44' and Ligand = 'BDBM21599'   
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
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM21599
PNG
(2-{5-chloro-1'-[(3-methyl-5-phenyl-1,2-oxazol-4-yl...)
Show SMILES Cc1noc(c1CN1CC2(CC1=O)C(=O)N(CC(O)=O)c1ccc(Cl)cc21)-c1ccccc1
Show InChI InChI=1S/C24H20ClN3O5/c1-14-17(22(33-26-14)15-5-3-2-4-6-15)11-27-13-24(10-20(27)29)18-9-16(25)7-8-19(18)28(23(24)32)12-21(30)31/h2-9H,10-13H2,1H3,(H,30,31)
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
3.80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in CHO cells after 90 mins by scintillation proximity assay


ACS Med Chem Lett 2: 644-649 (2011)


Article DOI: 10.1021/ml2001196
BindingDB Entry DOI: 10.7270/Q28916X5
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM21599
PNG
(2-{5-chloro-1'-[(3-methyl-5-phenyl-1,2-oxazol-4-yl...)
Show SMILES Cc1noc(c1CN1CC2(CC1=O)C(=O)N(CC(O)=O)c1ccc(Cl)cc21)-c1ccccc1
Show InChI InChI=1S/C24H20ClN3O5/c1-14-17(22(33-26-14)15-5-3-2-4-6-15)11-27-13-24(10-20(27)29)18-9-16(25)7-8-19(18)28(23(24)32)12-21(30)31/h2-9H,10-13H2,1H3,(H,30,31)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
3.80n/an/an/a 19n/an/an/an/a



Merck Serono



Assay Description
A scintillation proximity assay was used for radioligand competition and saturation binding assays. Nonspecific binding was determined in the presenc...


J Med Chem 51: 2227-2243 (2008)


Article DOI: 10.1021/jm701383e
BindingDB Entry DOI: 10.7270/Q22R3PZS
More data for this
Ligand-Target Pair