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BDBM50233528 CHEMBL3912535

SMILES: Cc1c(CC(O)=O)c2cccnc2n1Cc1ccc(cc1C(F)(F)F)C(F)(F)F

InChI Key: InChIKey=DEPOPFMYODZFIR-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 = 50233528   
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))
BDBM50233528
PNG
(CHEMBL3912535)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1Cc1ccc(cc1C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H14F6N2O2/c1-10-14(8-16(28)29)13-3-2-6-26-17(13)27(10)9-11-4-5-12(18(20,21)22)7-15(11)19(23,24)25/h2-7H,8-9H2,1H3,(H,28,29)
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PC cid
PC sid
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Similars

PubMed
29n/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))
BDBM50233528
PNG
(CHEMBL3912535)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1Cc1ccc(cc1C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H14F6N2O2/c1-10-14(8-16(28)29)13-3-2-6-26-17(13)27(10)9-11-4-5-12(18(20,21)22)7-15(11)19(23,24)25/h2-7H,8-9H2,1H3,(H,28,29)
PDB

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antibodypedia
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PC cid
PC sid
UniChem

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PubMed
n/an/a 214n/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))
BDBM50233528
PNG
(CHEMBL3912535)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1Cc1ccc(cc1C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H14F6N2O2/c1-10-14(8-16(28)29)13-3-2-6-26-17(13)27(10)9-11-4-5-12(18(20,21)22)7-15(11)19(23,24)25/h2-7H,8-9H2,1H3,(H,28,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 14n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


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


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


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