BDBM329787 Preparation of 2-[(4R)-6-(4-chlorophenyl)-1-methyl-8-(trifluoromethoxy)-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-4-yl]-N-ethylacetamide::US9663523, Example 52

SMILES: CCNC(=O)C[C@@H]1C=C(c2ccc(Cl)cc2)c2cc(OC(F)(F)F)ccc2-n2c(C)nnc12

InChI Key: InChIKey=VRSAVAUXYKCRST-HNNXBMFYSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 329787   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM329787 (Preparation of 2-[(4R)-6-(4-chlorophenyl)-1-methyl...) Show SMILES CCNC(=O)C[C@@H]1C=C(c2ccc(Cl)cc2)c2cc(OC(F)(F)F)ccc2-n2c(C)nnc12 |r,t:7| Show InChI InChI=1S/C23H20ClF3N4O2/c1-3-28-21(32)11-15-10-18(14-4-6-16(24)7-5-14)19-12-17(33-23(25,26)27)8-9-20(19)31-13(2)29-30-22(15)31/h4-10,12,15H,3,11H2,1-2H3,(H,28,32)/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/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
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