BindingDB logo
myBDB logout

BDBM124859 US8759386, 56

SMILES: CCCn1c(cc2ccccc12)C(=O)Nc1ccc(Cn2nc(C)c(CC(O)=O)c2C)c(F)c1

InChI Key: InChIKey=JKWZKZPFDPCKGC-UHFFFAOYSA-N

Data: 1 KI

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 1 hit for monomerid = 124859   
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))
BDBM124859
PNG
(US8759386, 56)
Show SMILES CCCn1c(cc2ccccc12)C(=O)Nc1ccc(Cn2nc(C)c(CC(O)=O)c2C)c(F)c1
Show InChI InChI=1S/C26H27FN4O3/c1-4-11-30-23-8-6-5-7-18(23)12-24(30)26(34)28-20-10-9-19(22(27)13-20)15-31-17(3)21(14-25(32)33)16(2)29-31/h5-10,12-13H,4,11,14-15H2,1-3H3,(H,28,34)(H,32,33)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
0.200n/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