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BDBM50420913 CHEMBL2087559

SMILES: CCc1nn2c(cccc2c1N(CC1CC1)CC1CCOC1)-c1c(C)cc(C)cc1OC

InChI Key: InChIKey=VRZVFYQGTZLFCS-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50420913   
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))		BDBM50420913
PNG
(CHEMBL2087559)
Show SMILES CCc1nn2c(cccc2c1N(CC1CC1)CC1CCOC1)-c1c(C)cc(C)cc1OC |(-4.51,-1.39,;-3.74,-.05,;-2.2,-.05,;-1.3,-1.28,;.17,-.81,;1.5,-1.58,;2.83,-.81,;2.83,.73,;1.5,1.5,;.17,.73,;-1.3,1.21,;-1.78,2.67,;-3.5,2.95,;-4.3,4.26,;-5.81,4.72,;-4.41,5.79,;-.69,3.76,;-1.09,5.25,;-2.52,5.8,;-2.44,7.34,;-.96,7.74,;-.12,6.44,;1.51,-3.12,;.17,-3.89,;-1.16,-3.12,;.17,-5.43,;1.51,-6.2,;1.51,-7.74,;2.84,-5.42,;2.85,-3.89,;4.18,-3.12,;5.51,-3.89,)|
Show InChI InChI=1S/C27H35N3O2/c1-5-22-27(29(15-20-9-10-20)16-21-11-12-32-17-21)24-8-6-7-23(30(24)28-22)26-19(3)13-18(2)14-25(26)31-4/h6-8,13-14,20-21H,5,9-12,15-17H2,1-4H3
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Article
PubMed
n/an/a 38n/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