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BDBM329785 Preparation of tert-butyl (−)-[(4R)-6-(4-chlorophenyl)-1-methyl-8-(trifluoromethoxy)-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-4-yl]acetate::US9663523, Example 50

SMILES: Cc1nnc2[C@@H](CC(=O)OC(C)(C)C)C=C(c3ccc(Cl)cc3)c3cc(OC(F)(F)F)ccc3-n12

InChI Key: InChIKey=ZXRWTUDQCUYUFU-MRXNPFEDSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 329785   
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
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM329785
PNG
(Preparation of tert-butyl (−)-[(4R)-6-(4-chl...)
Show SMILES Cc1nnc2[C@@H](CC(=O)OC(C)(C)C)C=C(c3ccc(Cl)cc3)c3cc(OC(F)(F)F)ccc3-n12 |r,t:14|
Show InChI InChI=1S/C25H23ClF3N3O3/c1-14-30-31-23-16(12-22(33)35-24(2,3)4)11-19(15-5-7-17(26)8-6-15)20-13-18(34-25(27,28)29)9-10-21(20)32(14)23/h5-11,13,16H,12H2,1-4H3/t16-/m1/s1
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US Patent
n/an/a 790n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For this purpose, a time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used, which measures the binding between N-terminally Hi...

US Patent US9663523 (2017)


BindingDB Entry DOI: 10.7270/Q2NC639V
More data for this
Ligand-Target Pair