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SMILES: CN1C(=O)N(Cc2cn(nc2-c2ccccc2)-c2ccccc2)C(=O)C11C(=O)N(CC(O)=O)c2ccc(Cl)cc12

InChI Key: InChIKey=WMAXVBKMLAKWKZ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50385624   
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))		BDBM50385624
PNG
(CHEMBL2042243)
Show SMILES CN1C(=O)N(Cc2cn(nc2-c2ccccc2)-c2ccccc2)C(=O)C11C(=O)N(CC(O)=O)c2ccc(Cl)cc12
Show InChI InChI=1S/C29H22ClN5O5/c1-32-28(40)34(27(39)29(32)22-14-20(30)12-13-23(22)33(26(29)38)17-24(36)37)15-19-16-35(21-10-6-3-7-11-21)31-25(19)18-8-4-2-5-9-18/h2-14,16H,15,17H2,1H3,(H,36,37)
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 96n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in CHO cells after 90 mins by scintillation proximity assay

ACS Med Chem Lett 2: 644-649 (2011)


Article DOI: 10.1021/ml2001196
BindingDB Entry DOI: 10.7270/Q28916X5
More data for this
Ligand-Target Pair