BDBM329779 Preparation of 6-(4-chlorophenyl)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-methyl-4H-[1,2,4]triazolo[4,3-a][1]benzazepine::US9663523, Example 43

SMILES: Cc1nnc2C(Cc3nnc(o3)C3CC3)C=C(c3ccc(Cl)cc3)c3ccccc3-n12

InChI Key: InChIKey=DQDAFQJRCYDKLY-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 = 329779   

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))	BDBM329779 (Preparation of 6-(4-chlorophenyl)-4-[(5-cyclopropy...) Show SMILES Cc1nnc2C(Cc3nnc(o3)C3CC3)C=C(c3ccc(Cl)cc3)c3ccccc3-n12 |t:17| Show InChI InChI=1S/C24H20ClN5O/c1-14-26-28-23-17(13-22-27-29-24(31-22)16-6-7-16)12-20(15-8-10-18(25)11-9-15)19-4-2-3-5-21(19)30(14)23/h2-5,8-12,16-17H,6-7,13H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	130	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