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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 = 'BDBM50342734'   
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))
BDBM50342734
PNG
(CHEMBL1771267 | N-(2-Aminoethyl)-N-ethyl-9-mesityl...)
Show SMILES CCN(CCN)c1nc(C)nc2n(-c3c(C)cc(C)cc3C)c3ccccc3c12 |(1.53,-.87,;2.87,-.1,;4.2,-.86,;5.53,-.09,;6.87,-.86,;8.2,-.08,;4.2,-2.4,;5.54,-3.17,;5.54,-4.72,;6.88,-5.48,;4.21,-5.49,;2.87,-4.72,;1.4,-5.19,;.64,-6.53,;-.89,-6.54,;-1.67,-5.21,;-1.65,-7.88,;-.86,-9.21,;-1.62,-10.55,;.68,-9.19,;1.43,-7.85,;2.97,-7.82,;.49,-3.94,;-1.04,-3.78,;-1.67,-2.38,;-.76,-1.12,;.78,-1.28,;1.4,-2.69,;2.88,-3.17,)|
Show InChI InChI=1S/C24H29N5/c1-6-28(12-11-25)23-21-19-9-7-8-10-20(19)29(24(21)27-18(5)26-23)22-16(3)13-15(2)14-17(22)4/h7-10,13-14H,6,11-12,25H2,1-5H3
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.47E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to CRHR


Bioorg Med Chem Lett 21: 2641-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.116
BindingDB Entry DOI: 10.7270/Q2BP0336
More data for this
Ligand-Target Pair