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SMILES: COCCN(CC(C)C)c1c(OC)nn2c(csc12)-c1c(OC)cc(COC)cc1OC

InChI Key: InChIKey=GXPLRKKJUHGSJS-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 101693   
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))		BDBM101693
PNG
(US8530504, 55)
Show SMILES COCCN(CC(C)C)c1c(OC)nn2c(csc12)-c1c(OC)cc(COC)cc1OC |(-5.78,7.05,;-5.38,5.56,;-3.9,5.16,;-3.5,3.68,;-2.01,3.28,;-.92,4.37,;.57,3.97,;1.66,5.06,;1.66,2.88,;-1.61,1.79,;-2.52,.54,;-4.06,.54,;-4.83,-.79,;-1.61,-.7,;-.15,-.23,;1.32,-.7,;2.22,.54,;1.32,1.79,;-.15,1.31,;1.72,-2.19,;3.2,-2.59,;4.29,-1.5,;5.78,-1.9,;3.6,-4.08,;2.51,-5.16,;2.91,-6.65,;4.4,-7.05,;5.49,-5.96,;1.03,-4.77,;.63,-3.28,;-.86,-2.88,;-1.95,-3.97,)|
Show InChI InChI=1S/C23H33N3O5S/c1-15(2)12-25(8-9-27-3)21-22(31-7)24-26-17(14-32-23(21)26)20-18(29-5)10-16(13-28-4)11-19(20)30-6/h10-11,14-15H,8-9,12-13H2,1-7H3
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Similars
US Patent
n/an/a 19n/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