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BDBM50420915 CHEMBL2087561

SMILES: CCc1nn2c(cccc2c1N(CC1CC1)CC1CCOCC1)-c1c(C)cc(C)cc1OC

InChI Key: InChIKey=LXVCWENZGYILIK-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50420915   
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))		BDBM50420915
PNG
(CHEMBL2087561)
Show SMILES CCc1nn2c(cccc2c1N(CC1CC1)CC1CCOCC1)-c1c(C)cc(C)cc1OC |(-4.15,-1.62,;-3.38,-.29,;-2.03,-.24,;-1.12,-1.48,;.34,-1,;1.68,-1.76,;3.01,-.99,;3,.55,;1.66,1.32,;.33,.54,;-1.13,1.01,;-1.62,2.47,;-3.13,2.78,;-4.21,1.69,;-5.69,1.28,;-4.6,.2,;-.59,3.62,;-1.15,5.05,;-.19,6.26,;-.75,7.69,;-2.27,7.92,;-3.23,6.72,;-2.67,5.29,;1.69,-3.3,;.36,-4.08,;-.98,-3.32,;.37,-5.62,;1.71,-6.38,;1.71,-7.92,;3.03,-5.61,;3.03,-4.07,;4.36,-3.29,;5.69,-4.05,)|
Show InChI InChI=1S/C28H37N3O2/c1-5-23-28(30(17-21-9-10-21)18-22-11-13-33-14-12-22)25-8-6-7-24(31(25)29-23)27-20(3)15-19(2)16-26(27)32-4/h6-8,15-16,21-22H,5,9-14,17-18H2,1-4H3
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n/an/a 22n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in HEK293 cells after 2 hrs by liquid scintillation counter

J Med Chem 55: 5255-69 (2012)


Article DOI: 10.1021/jm300259r
BindingDB Entry DOI: 10.7270/Q29P32XC
More data for this
Ligand-Target Pair