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BDBM50233526 CHEMBL3983909

SMILES: Cc1c(CC(O)=O)c2cccnc2n1Cc1ccc(c(c1)C(F)(F)F)S(C)(=O)=O

InChI Key: InChIKey=PRAHYBHEVROCIX-UHFFFAOYSA-N

Data: 1 KI  2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50233526   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50233526
PNG
(CHEMBL3983909)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1Cc1ccc(c(c1)C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C19H17F3N2O4S/c1-11-14(9-17(25)26)13-4-3-7-23-18(13)24(11)10-12-5-6-16(29(2,27)28)15(8-12)19(20,21)22/h3-8H,9-10H2,1-2H3,(H,25,26)
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PC cid
PC sid
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Similars

PubMed
31n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human DP2 receptor expressed in CHO cell membranes after 60 mins by scintillation proximity assay


ACS Med Chem Lett 8: 582-586 (2017)


BindingDB Entry DOI: 10.7270/Q2TH8PXN
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50233526
PNG
(CHEMBL3983909)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1Cc1ccc(c(c1)C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C19H17F3N2O4S/c1-11-14(9-17(25)26)13-4-3-7-23-18(13)24(11)10-12-5-6-16(29(2,27)28)15(8-12)19(20,21)22/h3-8H,9-10H2,1-2H3,(H,25,26)
PDB

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antibodypedia
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PC sid
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PubMed
n/an/a 4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at DP2 receptor in human whole assessed as inhibition of DK-PGD2-induced eosinophils shape change preincubated for 5 mins followe...


ACS Med Chem Lett 8: 582-586 (2017)


BindingDB Entry DOI: 10.7270/Q2TH8PXN
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50233526
PNG
(CHEMBL3983909)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1Cc1ccc(c(c1)C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C19H17F3N2O4S/c1-11-14(9-17(25)26)13-4-3-7-23-18(13)24(11)10-12-5-6-16(29(2,27)28)15(8-12)19(20,21)22/h3-8H,9-10H2,1-2H3,(H,25,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 11n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at DP2 receptor in human whole assessed as inhibition of DK-PGD2-induced eosinophils shape change preincubated for 5 mins followe...


ACS Med Chem Lett 8: 582-586 (2017)


BindingDB Entry DOI: 10.7270/Q2TH8PXN
More data for this
Ligand-Target Pair