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SMILES: CSc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(C)nc(-c3ccccc3C(F)(F)F)c12

InChI Key: InChIKey=UYHYUBLUFSCELL-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50076783   
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))		BDBM50076783
PNG
(6-Methyl-3-methylsulfanyl-1-(2,4,6-trichloro-pheny...)
Show SMILES CSc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(C)nc(-c3ccccc3C(F)(F)F)c12 |(9.33,.71,;7.83,.39,;7.37,-1.07,;8.26,-2.31,;7.37,-3.55,;7.85,-5.02,;9.34,-5.32,;10.36,-4.19,;9.83,-6.79,;8.78,-7.95,;9.27,-9.41,;7.27,-7.62,;6.81,-6.16,;5.3,-5.85,;5.9,-3.07,;4.56,-3.86,;3.23,-3.07,;1.9,-3.84,;3.23,-1.54,;4.57,-.77,;4.56,.77,;5.9,1.55,;5.9,3.1,;4.56,3.87,;3.23,3.09,;3.23,1.55,;1.9,.78,;.4,1.35,;1.65,-.8,;.7,.09,;5.9,-1.54,)|
Show InChI InChI=1S/C20H12Cl3F3N4S/c1-9-27-16(11-5-3-4-6-12(11)20(24,25)26)15-18(28-9)30(29-19(15)31-2)17-13(22)7-10(21)8-14(17)23/h3-8H,1-2H3
PDB
MMDB

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PC cid
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PubMed
 33n/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