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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 = 'BDBM50351379'   
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))
BDBM50351379
PNG
(CHEMBL1819069)
Show SMILES CCC(CC)Nc1c2CCCc2nc2c(c(nn12)C(F)(F)F)-c1ccc(OC)cc1C |(32.15,-30.33,;30.8,-31.08,;30.77,-32.62,;32.09,-33.41,;33.44,-32.66,;29.43,-33.36,;29.4,-34.9,;28.05,-35.64,;26.59,-35.14,;25.66,-36.37,;26.54,-37.63,;28.02,-37.19,;29.34,-37.98,;30.7,-37.23,;32.15,-37.72,;33.07,-36.49,;32.18,-35.23,;30.72,-35.69,;34.61,-36.5,;35.36,-37.85,;35.4,-35.18,;36.14,-36.5,;32.61,-39.19,;31.57,-40.32,;32.02,-41.79,;33.53,-42.12,;33.99,-43.59,;32.94,-44.73,;34.57,-40.98,;34.11,-39.52,;35.15,-38.38,)|
Show InChI InChI=1S/C23H27F3N4O/c1-5-14(6-2)27-21-17-8-7-9-18(17)28-22-19(20(23(24,25)26)29-30(21)22)16-11-10-15(31-4)12-13(16)3/h10-12,14,27H,5-9H2,1-4H3
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MMDB

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Similars

Article
PubMed
n/an/a 59n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human corticotropin-releasing factor receptor 1 expressed in CHO-K1 cells after 2 hrs by gamma counting


Bioorg Med Chem 19: 5432-45 (2011)


Article DOI: 10.1016/j.bmc.2011.07.055
BindingDB Entry DOI: 10.7270/Q2Z038JX
More data for this
Ligand-Target Pair