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SMILES: CCN(C1CCCC1)c1c(OC)nn2c(csc12)-c1c(OC)cc(COC)cc1OC

InChI Key: InChIKey=NCWBJLHWWRFVQS-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 101704   
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
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM101704
PNG
(US8530504, 66)
Show SMILES CCN(C1CCCC1)c1c(OC)nn2c(csc12)-c1c(OC)cc(COC)cc1OC |(.72,5.67,;-.82,5.67,;-1.91,4.58,;-3.39,4.98,;-3.87,6.44,;-5.41,6.44,;-5.88,4.98,;-4.64,4.07,;-1.51,3.09,;-2.41,1.84,;-3.95,1.84,;-4.72,.51,;-1.51,.6,;-.04,1.07,;1.42,.6,;2.33,1.84,;1.42,3.09,;-.04,2.61,;1.82,-.89,;3.31,-1.29,;4.4,-.2,;5.88,-.6,;3.71,-2.78,;2.62,-3.86,;3.02,-5.35,;1.93,-6.44,;.44,-6.04,;1.13,-3.47,;.73,-1.98,;-.76,-1.58,;-1.84,-2.67,)|
Show InChI InChI=1S/C23H31N3O4S/c1-6-25(16-9-7-8-10-16)21-22(30-5)24-26-17(14-31-23(21)26)20-18(28-3)11-15(13-27-2)12-19(20)29-4/h11-12,14,16H,6-10,13H2,1-5H3
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MMDB

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Similars
US Patent
n/an/a 26n/an/an/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
A binding competition experiment with CRF was conducted by the SPA (GE Healthcare) method using a 96-well plate.

US Patent US8530504 (2013)


BindingDB Entry DOI: 10.7270/Q29885NS
More data for this
Ligand-Target Pair