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BDBM50420925 CHEMBL2087572

SMILES: CCCN(CC1CCOCC1)c1c(CC)nn2c(cccc12)-c1c(OC)cc(COC)cc1OC

InChI Key: InChIKey=PVUJVRIUAZEDLP-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50420925   
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))		BDBM50420925
PNG
(CHEMBL2087572)
Show SMILES CCCN(CC1CCOCC1)c1c(CC)nn2c(cccc12)-c1c(OC)cc(COC)cc1OC |(-3.07,8.08,;-4.18,7.02,;-3.82,5.52,;-2.32,5.17,;-.95,6.63,;.57,6.36,;1.09,4.91,;2.61,4.64,;3.6,5.81,;3.08,7.26,;1.56,7.53,;-1.74,3.26,;-2.67,2.03,;-4.21,2.06,;-4.95,3.41,;-1.79,.76,;-.32,1.21,;1,.41,;2.35,1.15,;2.38,2.69,;1.06,3.49,;-.28,2.75,;.97,-1.13,;2.28,-1.93,;3.63,-1.18,;4.95,-1.98,;2.25,-3.47,;.9,-4.21,;.87,-5.75,;2.19,-6.55,;2.16,-8.08,;-.41,-3.41,;-.38,-1.87,;-1.7,-1.07,;-3.05,-1.81,)|
Show InChI InChI=1S/C28H39N3O4/c1-6-13-30(18-20-11-14-35-15-12-20)28-22(7-2)29-31-23(9-8-10-24(28)31)27-25(33-4)16-21(19-32-3)17-26(27)34-5/h8-10,16-17,20H,6-7,11-15,18-19H2,1-5H3
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n/an/a 90n/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