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SMILES: O=C(Nc1ccc(cc1)N1CCC(CC1)C(=O)N1CCOCC1)N1CCN(CC1)C(=O)c1ccsc1

InChI Key: InChIKey=NTHRGPPXZKXQHD-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 136535   
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))		BDBM136535
PNG
(US8865714, Reference Example 5)
Show SMILES O=C(Nc1ccc(cc1)N1CCC(CC1)C(=O)N1CCOCC1)N1CCN(CC1)C(=O)c1ccsc1
Show InChI InChI=1S/C26H33N5O4S/c32-24(30-14-16-35-17-15-30)20-5-8-28(9-6-20)23-3-1-22(2-4-23)27-26(34)31-12-10-29(11-13-31)25(33)21-7-18-36-19-21/h1-4,7,18-20H,5-6,8-17H2,(H,27,34)
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PC cid
PC sid
UniChem
US Patent
n/an/a 732n/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