BDBM329756 Preparation of 2-[6-(4-chlorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-4-yl]-N-(2-oxo-2,3-dihydro-1H-indol-5-yl)acetamide::US9663523, Example 20

SMILES: Cc1nnc2C(CC(=O)Nc3ccc4NC(=O)Cc4c3)C=C(c3ccc(Cl)cc3)c3ccccc3-n12

InChI Key: InChIKey=HQHXROQNFTYBRD-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 = 329756   

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))	BDBM329756 (Preparation of 2-[6-(4-chlorophenyl)-1-methyl-4H-[...) Show SMILES Cc1nnc2C(CC(=O)Nc3ccc4NC(=O)Cc4c3)C=C(c3ccc(Cl)cc3)c3ccccc3-n12 |t:22| Show InChI InChI=1S/C28H22ClN5O2/c1-16-32-33-28-19(15-26(35)30-21-10-11-24-18(12-21)14-27(36)31-24)13-23(17-6-8-20(29)9-7-17)22-4-2-3-5-25(22)34(16)28/h2-13,19H,14-15H2,1H3,(H,30,35)(H,31,36)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	240	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