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SMILES: Cn1cccc1C(=O)N1CCN(CC1)C(=O)Nc1ccc(cc1)N1CCC(CC1)C(=O)NCc1cccnc1

InChI Key: InChIKey=ABURWQHMGKKILS-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 136530   
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))		BDBM136530
PNG
(US8865714, 17)
Show SMILES Cn1cccc1C(=O)N1CCN(CC1)C(=O)Nc1ccc(cc1)N1CCC(CC1)C(=O)NCc1cccnc1
Show InChI InChI=1S/C29H35N7O3/c1-33-13-3-5-26(33)28(38)35-16-18-36(19-17-35)29(39)32-24-6-8-25(9-7-24)34-14-10-23(11-15-34)27(37)31-21-22-4-2-12-30-20-22/h2-9,12-13,20,23H,10-11,14-19,21H2,1H3,(H,31,37)(H,32,39)
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Similars
US Patent
n/an/a 60n/an/an/an/a8.025



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 US8865714 (2014)


BindingDB Entry DOI: 10.7270/Q2QF8RKC
More data for this
Ligand-Target Pair