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SMILES: COc1cc(Br)c(c(OC)c1)-n1c(C)nc2c(nc(C)nc12)-c1ccccc1C(F)(F)F

InChI Key: InChIKey=JNMXDSJKXZUMDT-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50076777   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/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))		BDBM50076777
PNG
(9-(2-Bromo-4,6-dimethoxy-phenyl)-2,8-dimethyl-6-(2...)
Show SMILES COc1cc(Br)c(c(OC)c1)-n1c(C)nc2c(nc(C)nc12)-c1ccccc1C(F)(F)F |(10.58,-12.06,;11.63,-10.93,;11.18,-9.46,;9.67,-9.12,;9.22,-7.64,;7.73,-7.29,;10.27,-6.52,;11.77,-6.86,;12.82,-5.72,;14.33,-6.07,;12.23,-8.33,;9.81,-5.06,;10.71,-3.81,;12.25,-3.81,;9.8,-2.57,;8.34,-3.04,;7.01,-2.27,;5.67,-3.04,;5.67,-4.58,;4.32,-5.37,;7.01,-5.35,;8.34,-4.58,;7.01,-.73,;8.34,.04,;8.34,1.59,;7.01,2.36,;5.68,1.59,;5.68,.04,;4.32,-.75,;5.12,-2.08,;2.99,-1.52,;3.55,.6,)|
Show InChI InChI=1S/C22H18BrF3N4O2/c1-11-27-18(14-7-5-6-8-15(14)22(24,25)26)19-21(28-11)30(12(2)29-19)20-16(23)9-13(31-3)10-17(20)32-4/h5-10H,1-4H3
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PubMed
 32n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Antagonistic activity for Corticotropin releasing factor receptor 1

Bioorg Med Chem Lett 9: 1063-6 (1999)


BindingDB Entry DOI: 10.7270/Q21V5D5N
More data for this
Ligand-Target Pair