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BDBM50034983 CHEMBL3343109

SMILES: CCN(Cc1cc(OC(F)(F)F)ccc1-n1cc(CC(O)=O)c2ccc(C)nc12)C(=O)C1CC1

InChI Key: InChIKey=IFGGUTIIIHQUJY-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50034983   
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))
BDBM50034983
PNG
(CHEMBL3343109)
Show SMILES CCN(Cc1cc(OC(F)(F)F)ccc1-n1cc(CC(O)=O)c2ccc(C)nc12)C(=O)C1CC1
Show InChI InChI=1S/C24H24F3N3O4/c1-3-29(23(33)15-5-6-15)12-17-10-18(34-24(25,26)27)7-9-20(17)30-13-16(11-21(31)32)19-8-4-14(2)28-22(19)30/h4,7-10,13,15H,3,5-6,11-12H2,1-2H3,(H,31,32)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 6.70n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Antagonist activity at CRTh2 receptor in human whole blood assessed as inhibition of PGD2-induced eosinophil shape change preincubated for 10 mins wi...


Bioorg Med Chem Lett 24: 5123-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.029
BindingDB Entry DOI: 10.7270/Q2CF9RRW
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50034983
PNG
(CHEMBL3343109)
Show SMILES CCN(Cc1cc(OC(F)(F)F)ccc1-n1cc(CC(O)=O)c2ccc(C)nc12)C(=O)C1CC1
Show InChI InChI=1S/C24H24F3N3O4/c1-3-29(23(33)15-5-6-15)12-17-10-18(34-24(25,26)27)7-9-20(17)30-13-16(11-21(31)32)19-8-4-14(2)28-22(19)30/h4,7-10,13,15H,3,5-6,11-12H2,1-2H3,(H,31,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.80n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Antagonist activity at CRTh2 receptor (unknown origin) overexpressed in CHOK1 cell membranes assessed as inhibition of [35S]-GTPgammaS binding measur...


Bioorg Med Chem Lett 24: 5123-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.029
BindingDB Entry DOI: 10.7270/Q2CF9RRW
More data for this
Ligand-Target Pair