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BDBM124818 US8759386, 15

SMILES: Cc1nn(Cc2ccc(NC(=O)c3cc4ccccc4s3)cc2)c(C)c1CC(O)=O

InChI Key: InChIKey=PXFXRHXCEICPSC-UHFFFAOYSA-N

Data: 1 KI

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 124818   
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
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM124818
PNG
(US8759386, 15)
Show SMILES Cc1nn(Cc2ccc(NC(=O)c3cc4ccccc4s3)cc2)c(C)c1CC(O)=O
Show InChI InChI=1S/C23H21N3O3S/c1-14-19(12-22(27)28)15(2)26(25-14)13-16-7-9-18(10-8-16)24-23(29)21-11-17-5-3-4-6-20(17)30-21/h3-11H,12-13H2,1-2H3,(H,24,29)(H,27,28)
PDB

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Similars

US Patent
0.300 -13.0n/an/an/an/an/a7.425



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...


US Patent US8759386 (2014)


BindingDB Entry DOI: 10.7270/Q2S46QM5
More data for this
Ligand-Target Pair