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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 = 'BDBM50076604'   
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))
BDBM50076604
PNG
(6-(1-Ethyl-pentylamino)-2,7-dimethyl-9-(2,4,6-trim...)
Show SMILES CCCCC(CC)Nc1nc(C)nc2n(-c3c(C)cc(C)cc3C)c(=O)n(C)c12 |(1.82,2.47,;3.15,1.7,;3.16,.16,;4.49,-.61,;4.5,-2.15,;3.17,-2.92,;1.83,-2.15,;5.84,-2.92,;5.86,-4.46,;4.53,-5.23,;4.53,-6.77,;3.18,-7.54,;5.86,-7.54,;7.19,-6.77,;8.66,-7.23,;9.15,-8.69,;10.65,-8.99,;11.67,-7.82,;11.14,-10.45,;10.11,-11.6,;10.6,-13.07,;8.61,-11.3,;8.13,-9.83,;6.61,-9.52,;9.57,-5.98,;11.11,-5.97,;8.66,-4.74,;9.12,-3.27,;7.19,-5.23,)|
Show InChI InChI=1S/C23H33N5O/c1-8-10-11-18(9-2)26-21-20-22(25-17(6)24-21)28(23(29)27(20)7)19-15(4)12-14(3)13-16(19)5/h12-13,18H,8-11H2,1-7H3,(H,24,25,26)
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MMDB

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Similars

PubMed
17n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity for transfected human Corticotropin releasing factor receptor expressed in HEK 293E cells using [125I]-TYR-oCRH as the displaced rad...


Bioorg Med Chem Lett 9: 967-72 (1999)


BindingDB Entry DOI: 10.7270/Q26H4GKK
More data for this
Ligand-Target Pair