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BDBM50420914 CHEMBL2087560

SMILES: CCc1nn2c(cccc2c1N(CC1CC1)CC1CCCO1)-c1c(C)cc(C)cc1OC

InChI Key: InChIKey=USJGRIDXFFAWQM-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50420914   
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))		BDBM50420914
PNG
(CHEMBL2087560)
Show SMILES CCc1nn2c(cccc2c1N(CC1CC1)CC1CCCO1)-c1c(C)cc(C)cc1OC |(-4.19,-1.4,;-3.42,-.06,;-1.88,-.05,;-.97,-1.29,;.49,-.81,;1.83,-1.57,;3.16,-.8,;3.15,.74,;1.81,1.51,;.48,.73,;-.98,1.2,;-1.47,2.66,;-2.98,2.97,;-4.3,2.19,;-5.07,.86,;-5.84,2.18,;-.44,3.81,;-1,5.24,;-2.49,5.64,;-2.58,7.17,;-1.15,7.73,;-.17,6.54,;1.84,-3.11,;.51,-3.89,;-.83,-3.13,;.52,-5.43,;1.86,-6.19,;1.86,-7.73,;3.19,-5.42,;3.18,-3.88,;4.51,-3.1,;5.84,-3.86,)|
Show InChI InChI=1S/C27H35N3O2/c1-5-22-27(29(16-20-11-12-20)17-21-8-7-13-32-21)24-10-6-9-23(30(24)28-22)26-19(3)14-18(2)15-25(26)31-4/h6,9-10,14-15,20-21H,5,7-8,11-13,16-17H2,1-4H3
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Article
PubMed
n/an/a 34n/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