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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 = 'BDBM50319888'   
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))
BDBM50319888
PNG
(CHEMBL1082697 | N-((2-chloro-1-mesityl-6-(trifluor...)
Show SMILES CCCN(CCC1CC1)Cc1c(nc2n(c(Cl)cn12)-c1c(C)cc(C)cc1C)C(F)(F)F |(38.9,3.33,;37.36,3.35,;36.57,2.03,;35.03,2.05,;34.28,3.39,;32.74,3.42,;31.99,4.76,;32.02,6.29,;30.67,5.54,;34.24,.73,;34.69,-.75,;33.74,-1.98,;34.63,-3.25,;36.11,-2.8,;37.57,-3.31,;38.51,-2.08,;40.04,-2.11,;37.62,-.81,;36.14,-1.26,;38.34,-4.65,;39.87,-4.64,;40.64,-3.31,;40.64,-5.97,;39.86,-7.31,;40.63,-8.65,;38.32,-7.31,;37.56,-5.97,;36.02,-5.96,;32.2,-1.95,;31.46,-.6,;31.41,-3.27,;30.66,-1.94,)|
Show InChI InChI=1S/C24H30ClF3N4/c1-5-9-30(10-8-18-6-7-18)13-19-22(24(26,27)28)29-23-31(19)14-20(25)32(23)21-16(3)11-15(2)12-17(21)4/h11-12,14,18H,5-10,13H2,1-4H3
PDB
MMDB

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Similars

Article
PubMed
53n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I] Tyr-o-CRF from human CRF[125I]receptor expressed in human IMR-3[125I]cells after 100 mins


Bioorg Med Chem Lett 20: 3669-74 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.094
BindingDB Entry DOI: 10.7270/Q2VX0GPF
More data for this
Ligand-Target Pair