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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 = 'BDBM50319894'   
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))
BDBM50319894
PNG
(CHEMBL1085518 | N-((2-chloro-1-mesityl-6-(trifluor...)
Show SMILES CCN(CC(C)=C)Cc1c(nc2n(c(Cl)cn12)-c1c(C)cc(C)cc1C)C(F)(F)F |(10.8,-41.01,;10.01,-42.34,;8.47,-42.32,;7.72,-40.97,;6.18,-40.95,;5.39,-42.27,;5.43,-39.6,;7.68,-43.64,;8.12,-45.11,;7.18,-46.35,;8.07,-47.62,;9.55,-47.17,;11.01,-47.68,;11.94,-46.44,;13.48,-46.47,;11.06,-45.18,;9.58,-45.62,;11.78,-49.01,;13.31,-49.01,;14.08,-47.67,;14.08,-50.34,;13.3,-51.68,;14.07,-53.01,;11.76,-51.67,;11,-50.34,;9.46,-50.33,;5.64,-46.31,;4.9,-44.96,;4.84,-47.63,;4.1,-46.3,)|
Show InChI InChI=1S/C22H26ClF3N4/c1-7-28(10-13(2)3)11-17-20(22(24,25)26)27-21-29(17)12-18(23)30(21)19-15(5)8-14(4)9-16(19)6/h8-9,12H,2,7,10-11H2,1,3-6H3
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Similars

Article
PubMed
67n/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