BDBM329762 Preparation of 1-{[6-(4-chlorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-4-yl]acetyl}pyrrolidin-3-one::US9663523, Example 26

SMILES: Cc1nnc2C(CC(=O)N3CCC(=O)C3)C=C(c3ccc(Cl)cc3)c3ccccc3-n12

InChI Key: InChIKey=GEKJAZZQVMHBHM-UHFFFAOYSA-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 = 329762   

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))	BDBM329762 (Preparation of 1-{[6-(4-chlorophenyl)-1-methyl-4H-...) Show SMILES Cc1nnc2C(CC(=O)N3CCC(=O)C3)C=C(c3ccc(Cl)cc3)c3ccccc3-n12 |t:16| Show InChI InChI=1S/C24H21ClN4O2/c1-15-26-27-24-17(13-23(31)28-11-10-19(30)14-28)12-21(16-6-8-18(25)9-7-16)20-4-2-3-5-22(20)29(15)24/h2-9,12,17H,10-11,13-14H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	40	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
					More data for this Ligand-Target Pair