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SMILES: COc1nn2c(csc2c1N(CC1CC1)CC1CCOC1)-c1c(OC)cc(cc1OC)C1CC1

InChI Key: InChIKey=WNLYRTAMXWRKDA-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 101698   
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))		BDBM101698
PNG
(US8530504, 60)
Show SMILES COc1nn2c(csc2c1N(CC1CC1)CC1CCOC1)-c1c(OC)cc(cc1OC)C1CC1 |(-4.68,.84,;-3.91,2.18,;-2.37,2.18,;-1.46,.93,;,1.41,;1.46,.93,;2.37,2.18,;1.46,3.42,;,2.95,;-1.46,3.42,;-1.86,4.91,;-3.35,5.31,;-4.44,4.22,;-5.93,3.82,;-4.84,2.73,;-.77,6,;.71,5.6,;1.19,4.14,;2.73,4.14,;3.21,5.6,;1.96,6.51,;1.86,-.56,;3.35,-.95,;4.44,.13,;5.93,-.26,;3.75,-2.44,;2.66,-3.53,;1.17,-3.13,;.77,-1.65,;-.71,-1.25,;-1.8,-2.34,;3.06,-5.02,;2.66,-6.51,;4.15,-6.11,)|
Show InChI InChI=1S/C26H33N3O4S/c1-30-21-10-19(18-6-7-18)11-22(31-2)23(21)20-15-34-26-24(25(32-3)27-29(20)26)28(12-16-4-5-16)13-17-8-9-33-14-17/h10-11,15-18H,4-9,12-14H2,1-3H3
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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