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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 = 'BDBM50116112'   
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))
BDBM50116112
PNG
(CHEMBL67484 | [1,5-Dimethyl-3-(2,4,6-trimethyl-phe...)
Show SMILES CCCN(CCC)c1nc(C)nc2c(nn(C)c12)-c1c(C)cc(C)cc1C |(-6.92,3.47,;-5.59,2.68,;-5.62,1.14,;-4.31,.34,;-2.96,1.09,;-2.93,2.63,;-1.58,3.36,;-4.33,-1.2,;-5.69,-1.94,;-5.73,-3.48,;-7.07,-4.23,;-4.4,-4.28,;-3.05,-3.53,;-1.59,-4.04,;-.65,-2.81,;-1.54,-1.54,;-1.04,-.08,;-3.03,-1.99,;-1.14,-5.51,;.36,-5.84,;1.4,-4.71,;.82,-7.31,;-.25,-8.45,;.22,-9.92,;-1.74,-8.1,;-2.19,-6.63,;-3.69,-6.28,)|
Show InChI InChI=1S/C22H31N5/c1-8-10-27(11-9-2)22-21-20(23-17(6)24-22)19(25-26(21)7)18-15(4)12-14(3)13-16(18)5/h12-13H,8-11H2,1-7H3
PDB
MMDB

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PC cid
PC sid
UniChem
PubMed
1n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]-sauvagine from Corticotropin releasing factor receptor 1 endogenously expressed in IMR-32 human neuroblastoma cells


Bioorg Med Chem Lett 12: 2133-6 (2002)


BindingDB Entry DOI: 10.7270/Q2SQ8ZPK
More data for this
Ligand-Target Pair