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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 = 'BDBM101666'   
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))
BDBM101666
PNG
(US8530504, 28)
Show SMILES CCCCN(CCOC)c1c(OC)nn2c(csc12)-c1c(OC)cc(COC)cc1OC |(3.14,4.66,;1.66,5.06,;.57,3.97,;-.92,4.37,;-2.01,3.28,;-3.5,3.68,;-3.9,5.16,;-5.38,5.56,;-5.78,7.05,;-1.61,1.79,;-2.52,.54,;-4.06,.54,;-4.83,-.79,;-1.61,-.7,;-.15,-.23,;1.32,-.7,;2.22,.54,;1.32,1.79,;-.15,1.31,;1.72,-2.19,;3.2,-2.59,;4.29,-1.5,;5.78,-1.9,;3.6,-4.08,;2.51,-5.16,;2.91,-6.65,;4.4,-7.05,;5.49,-5.96,;1.03,-4.77,;.63,-3.28,;-.86,-2.88,;-1.95,-3.97,)|
Show InChI InChI=1S/C23H33N3O5S/c1-7-8-9-25(10-11-27-2)21-22(31-6)24-26-17(15-32-23(21)26)20-18(29-4)12-16(14-28-3)13-19(20)30-5/h12-13,15H,7-11,14H2,1-6H3
PDB
MMDB

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Similars

US Patent
n/an/a 40n/an/an/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
A binding competition experiment with CRF was conducted by the SPA (GE Healthcare) method using a 96-well plate.


US Patent US8530504 (2013)


BindingDB Entry DOI: 10.7270/Q29885NS
More data for this
Ligand-Target Pair