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SMILES: CCC1C=CC=C1C(=O)N1CCN(CC1)C(=O)NC1CCN(CC1)c1ccc(CCn2ccnn2)cc1

InChI Key: InChIKey=WKHWCLMRUHFOPT-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 124927   
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
Hematopoietic prostaglandin D synthase


(Homo sapiens (Human))		BDBM124927
PNG
(US8765750, 16)
Show SMILES CCC1C=CC=C1C(=O)N1CCN(CC1)C(=O)NC1CCN(CC1)c1ccc(CCn2ccnn2)cc1 |c:3,5|
Show InChI InChI=1S/C28H37N7O2/c1-2-23-4-3-5-26(23)27(36)33-18-20-34(21-19-33)28(37)30-24-11-14-32(15-12-24)25-8-6-22(7-9-25)10-16-35-17-13-29-31-35/h3-9,13,17,23-24H,2,10-12,14-16,18-21H2,1H3,(H,30,37)
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Similars
US Patent
n/an/a 68.4n/an/an/an/a8.0n/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The test was carried out according to the method of Urade, Y. et al. (J. Biol. Chem., 262, 3820-3825, (1987)). More specifically, the reaction mixtur...

US Patent US8765750 (2014)


BindingDB Entry DOI: 10.7270/Q2862F43
More data for this
Ligand-Target Pair