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BDBM50356685 CHEMBL1917600

SMILES: Cc1ccc(cc1C#Cc1cc(Cl)ccc1OCC(O)=O)S(=O)(=O)NC(C)(C)C

InChI Key: InChIKey=LXZJEWGAMUTVAQ-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50356685   
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))
BDBM50356685
PNG
(CHEMBL1917600)
Show SMILES Cc1ccc(cc1C#Cc1cc(Cl)ccc1OCC(O)=O)S(=O)(=O)NC(C)(C)C
Show InChI InChI=1S/C21H22ClNO5S/c1-14-5-9-18(29(26,27)23-21(2,3)4)12-15(14)6-7-16-11-17(22)8-10-19(16)28-13-20(24)25/h5,8-12,23H,13H2,1-4H3,(H,24,25)
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Article
PubMed
5n/an/an/an/an/an/an/an/a



Merck Serono S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting


J Med Chem 54: 7299-317 (2011)


Article DOI: 10.1021/jm200866y
BindingDB Entry DOI: 10.7270/Q2N58MS1
More data for this
Ligand-Target Pair