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SMILES: CC1C=CC=C1C(=O)N1CCN(CC1)C(=O)NC1CCN(CC1)c1ccc(cc1)C(=O)N1CCCC1

InChI Key: InChIKey=WBBZBNDGTMIPPR-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 124921   
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))		BDBM124921
PNG
(US8765750, 6)
Show SMILES CC1C=CC=C1C(=O)N1CCN(CC1)C(=O)NC1CCN(CC1)c1ccc(cc1)C(=O)N1CCCC1 |c:2,4|
Show InChI InChI=1S/C28H37N5O3/c1-21-5-4-6-25(21)27(35)32-17-19-33(20-18-32)28(36)29-23-11-15-30(16-12-23)24-9-7-22(8-10-24)26(34)31-13-2-3-14-31/h4-10,21,23H,2-3,11-20H2,1H3,(H,29,36)
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Similars
US Patent
n/an/a 52n/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