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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 = 'BDBM50076616'   
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))
BDBM50076616
PNG
(9-(2-Bromo-4-isopropyl-phenyl)-6-(cyclopropylmethy...)
Show SMILES CCCN(CC1CC1)c1nc(C)nc2n(-c3ccc(cc3Br)C(C)C)c(=O)n(C)c12 |(8.08,-1.62,;6.75,-2.41,;6.77,-3.95,;5.44,-4.72,;4.09,-3.95,;2.76,-4.72,;1.24,-4.74,;2.01,-6.07,;5.44,-6.26,;4.11,-7.03,;4.11,-8.57,;2.78,-9.34,;5.44,-9.34,;6.8,-8.57,;8.27,-9.04,;8.75,-10.5,;7.72,-11.64,;8.2,-13.1,;9.71,-13.42,;10.74,-12.26,;10.25,-10.8,;11.27,-9.64,;10.2,-14.87,;9.18,-16.03,;11.71,-15.19,;9.17,-7.78,;10.71,-7.78,;8.24,-6.54,;8.71,-5.07,;6.79,-7.03,)|
Show InChI InChI=1S/C23H30BrN5O/c1-6-11-28(13-16-7-8-16)21-20-22(26-15(4)25-21)29(23(30)27(20)5)19-10-9-17(14(2)3)12-18(19)24/h9-10,12,14,16H,6-8,11,13H2,1-5H3
PDB
MMDB

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PC cid
PC sid
UniChem
PubMed
5.70n/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