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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Corticotropin-releasing factor receptor 1' and Ligand = 'BDBM50420938'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM50420938
PNG
(CHEMBL2087564)
Show SMILES CCc1nn2c(cccc2c1N(CC1CC1)CC1CCOCC1)-c1c(OC)cc(OC)cc1OC |(-4.48,1.81,;-3.71,.48,;-2.17,.49,;-1.26,-.76,;.2,-.28,;1.54,-1.05,;2.87,-.27,;2.87,1.27,;1.53,2.03,;.2,1.26,;-1.27,1.73,;-1.74,3.2,;-.72,4.34,;.8,4.11,;2.24,4.66,;2,3.14,;-3.25,3.51,;-3.65,5,;-5.14,5.4,;-5.54,6.88,;-4.46,7.97,;-2.97,7.58,;-2.57,6.09,;1.54,-2.59,;2.88,-3.35,;4.21,-2.58,;5.54,-3.35,;2.88,-4.89,;1.55,-5.67,;1.55,-7.21,;2.89,-7.97,;.21,-4.9,;.21,-3.36,;-1.13,-2.59,;-2.46,-3.37,)|
Show InChI InChI=1S/C28H37N3O4/c1-5-22-28(30(17-19-9-10-19)18-20-11-13-35-14-12-20)24-8-6-7-23(31(24)29-22)27-25(33-3)15-21(32-2)16-26(27)34-4/h6-8,15-16,19-20H,5,9-14,17-18H2,1-4H3
PDB
MMDB

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PC sid
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Similars

Article
PubMed
n/an/a 42n/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