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SMILES: COCc1cc(OC)c(-c2csc3c(N(CC(C)OC)CC4CC4)c(OC)nn23)c(OC)c1

InChI Key: InChIKey=WOAYAUSSJQAEJU-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 101689   
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))		BDBM101689
PNG
(US8530504, 51)
Show SMILES COCc1cc(OC)c(-c2csc3c(N(CC(C)OC)CC4CC4)c(OC)nn23)c(OC)c1 |(5.49,-5.96,;4.4,-7.05,;2.91,-6.65,;2.51,-5.16,;3.6,-4.08,;3.2,-2.59,;4.29,-1.5,;5.78,-1.9,;1.72,-2.19,;1.32,-.7,;2.22,.54,;1.32,1.79,;-.15,1.31,;-1.61,1.79,;-2.01,3.28,;-3.5,3.68,;-3.9,5.16,;-2.81,6.25,;-5.38,5.56,;-5.78,7.05,;-.92,4.37,;.57,3.97,;1.66,2.88,;2.05,4.37,;-2.52,.54,;-4.06,.54,;-4.83,-.79,;-1.61,-.7,;-.15,-.23,;.63,-3.28,;-.86,-2.88,;-1.95,-3.97,;1.03,-4.77,)|
Show InChI InChI=1S/C24H33N3O5S/c1-15(29-3)11-26(12-16-7-8-16)22-23(32-6)25-27-18(14-33-24(22)27)21-19(30-4)9-17(13-28-2)10-20(21)31-5/h9-10,14-16H,7-8,11-13H2,1-6H3
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Similars
US Patent
n/an/a 36n/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