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BDBM50397639 CHEMBL2181751::US8791272, 2.47

SMILES: CCc1c(CC(O)=O)c(nn1Cc1ccc(NC(=O)c2ccc(cc2)C(F)(F)F)cc1)C1CC1

InChI Key: InChIKey=ZAFHJJGXDOWBEY-UHFFFAOYSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50397639   
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))
BDBM50397639
PNG
(CHEMBL2181751 | US8791272, 2.47)
Show SMILES CCc1c(CC(O)=O)c(nn1Cc1ccc(NC(=O)c2ccc(cc2)C(F)(F)F)cc1)C1CC1
Show InChI InChI=1S/C25H24F3N3O3/c1-2-21-20(13-22(32)33)23(16-5-6-16)30-31(21)14-15-3-11-19(12-4-15)29-24(34)17-7-9-18(10-8-17)25(26,27)28/h3-4,7-12,16H,2,5-6,13-14H2,1H3,(H,29,34)(H,32,33)
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PC cid
PC sid
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Similars

US Patent
0.100n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CRTH2 receptor binding assay is performed in a scintillation proximity assay (SPA) format with the radioligand [3H]-PGD2 (Perkin Elmer, NET616000...


Citation and Details
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50397639
PNG
(CHEMBL2181751 | US8791272, 2.47)
Show SMILES CCc1c(CC(O)=O)c(nn1Cc1ccc(NC(=O)c2ccc(cc2)C(F)(F)F)cc1)C1CC1
Show InChI InChI=1S/C25H24F3N3O3/c1-2-21-20(13-22(32)33)23(16-5-6-16)30-31(21)14-15-3-11-19(12-4-15)29-24(34)17-7-9-18(10-8-17)25(26,27)28/h3-4,7-12,16H,2,5-6,13-14H2,1H3,(H,29,34)(H,32,33)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.5n/an/an/an/an/an/an/an/a



Oxagen Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CRTH2


J Med Chem 55: 2915-31 (2012)

More data for this
Ligand-Target Pair