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SMILES: CCCCc1nc(C)n(-c2ncc(cc2Cl)C(F)(F)F)c(=O)c1Cc1ccc(cn1)-c1ccccc1-c1nnn[nH]1

InChI Key: InChIKey=DTWVBFCMWFRYPC-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 222700   
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
Peroxisome proliferator-activated receptor gamma [182-505]/Regulatory protein GAL4 [1-147]


(Saccharomyces bayanus (Yeast)-Homo sapiens (Human))		BDBM222700
PNG
(US9315493, 32)
Show SMILES CCCCc1nc(C)n(-c2ncc(cc2Cl)C(F)(F)F)c(=O)c1Cc1ccc(cn1)-c1ccccc1-c1nnn[nH]1 |(-7.34,.87,;-6,.1,;-4.67,.87,;-3.33,.1,;-2,.87,;-2,2.41,;-.67,3.18,;-.67,4.72,;.67,2.41,;2,3.18,;3.33,2.41,;4.67,3.18,;4.72,4.75,;3.33,5.49,;2,4.72,;.67,5.49,;6.05,5.52,;7.38,6.29,;6.82,4.19,;5.28,6.85,;.67,.87,;2,.1,;-.67,.1,;-.67,-1.44,;.67,-2.21,;2,-1.44,;3.33,-2.21,;3.33,-3.75,;2,-4.52,;.67,-3.75,;4.67,-4.52,;4.67,-6.06,;6,-6.83,;7.34,-6.06,;7.34,-4.52,;6,-3.75,;6,-2.21,;4.76,-1.3,;5.23,.16,;6.77,.16,;7.25,-1.3,)|
Show InChI InChI=1S/C28H24ClF3N8O/c1-3-4-9-24-22(27(41)40(16(2)35-24)26-23(29)12-18(15-34-26)28(30,31)32)13-19-11-10-17(14-33-19)20-7-5-6-8-21(20)25-36-38-39-37-25/h5-8,10-12,14-15H,3-4,9,13H2,1-2H3,(H,36,37,38,39)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 2.74E+3n/an/an/an/a



KOWA COMPANY, LTD.

US Patent


Assay Description
As an expression vector, a chimera in which DNA binding domain of Gal4, which is a yeast transcription factor, and ligand binding domain of human PPA...

US Patent US9315493 (2016)


BindingDB Entry DOI: 10.7270/Q27M06SS
More data for this
Ligand-Target Pair