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SMILES: CCCN(c1c(OC)nn2c(csc12)-c1c(OC)cc(COC)cc1OC)c1ccccn1

InChI Key: InChIKey=UNWGUNYTBTWIBI-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 101723   
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))		BDBM101723
PNG
(US8530504, 86)
Show SMILES CCCN(c1c(OC)nn2c(csc12)-c1c(OC)cc(COC)cc1OC)c1ccccn1 |(-5.58,5.96,;-4.09,5.56,;-3.7,4.08,;-2.21,3.68,;-1.81,2.19,;-2.72,.94,;-4.26,.94,;-5.03,-.39,;-1.81,-.3,;-.35,.17,;1.12,-.3,;2.02,.94,;1.12,2.19,;-.35,1.71,;1.52,-1.79,;3.01,-2.19,;4.09,-1.1,;5.58,-1.5,;3.4,-3.68,;2.32,-4.77,;2.71,-6.25,;1.62,-7.34,;.14,-6.94,;.83,-4.37,;.43,-2.88,;-1.06,-2.48,;-2.15,-3.57,;-1.12,4.77,;-1.52,6.25,;-.43,7.34,;1.06,6.94,;1.46,5.46,;.37,4.37,)|
Show InChI InChI=1S/C24H28N4O4S/c1-6-11-27(20-9-7-8-10-25-20)22-23(32-5)26-28-17(15-33-24(22)28)21-18(30-3)12-16(14-29-2)13-19(21)31-4/h7-10,12-13,15H,6,11,14H2,1-5H3
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Similars
US Patent
n/an/a 33n/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