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SMILES: CCc1cc(OC)c(-c2csc3c(N(CC4CC4)CC4CCOC4)c(OC)nn23)c(OC)c1

InChI Key: InChIKey=CGQQXFKYTFMTIP-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 101662   
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))		BDBM101662
PNG
(US8530504, 23)
Show SMILES CCc1cc(OC)c(-c2csc3c(N(CC4CC4)CC4CCOC4)c(OC)nn23)c(OC)c1 |(1.97,-6.31,;3.06,-5.22,;2.66,-3.73,;1.17,-3.33,;.77,-1.84,;-.71,-1.45,;-1.8,-2.53,;1.86,-.76,;1.46,.73,;2.37,1.98,;1.46,3.22,;,2.75,;-1.46,3.22,;-1.86,4.71,;-3.35,5.11,;-4.44,4.02,;-5.93,3.62,;-4.84,2.53,;-.77,5.8,;.71,5.4,;1.19,3.94,;2.73,3.94,;3.21,5.4,;1.96,6.31,;-2.37,1.98,;-3.91,1.98,;-4.68,.64,;-1.46,.73,;,1.21,;3.35,-1.15,;4.44,-.07,;5.93,-.46,;3.75,-2.64,)|
Show InChI InChI=1S/C25H33N3O4S/c1-5-16-10-20(29-2)22(21(11-16)30-3)19-15-33-25-23(24(31-4)26-28(19)25)27(12-17-6-7-17)13-18-8-9-32-14-18/h10-11,15,17-18H,5-9,12-14H2,1-4H3
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Similars
US Patent
n/an/a 44n/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