BDBM329742 Preparation of (−)-1 (7-azabicyclo[2.2.1]hept-7-yl)-2-[(4R)-6-(4-chlorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-4-yl]ethanone::US9663523, Example 6

SMILES: Cc1nnc2[C@@H](CC(=O)N3C4CCC3CC4)C=C(c3ccc(Cl)cc3)c3ccccc3-n12

InChI Key: InChIKey=GTBBLTWEDPXOSR-KMFTYDHNSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 329742   

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))	BDBM329742 (Preparation of (−)-1 (7-azabicyclo[2.2.1]hep...) Show SMILES Cc1nnc2[C@@H](CC(=O)N3C4CCC3CC4)C=C(c3ccc(Cl)cc3)c3ccccc3-n12 |r,t:18| Show InChI InChI=1S/C26H25ClN4O/c1-16-28-29-26-18(15-25(32)31-20-10-11-21(31)13-12-20)14-23(17-6-8-19(27)9-7-17)22-4-2-3-5-24(22)30(16)26/h2-9,14,18,20-21H,10-13,15H2,1H3/t18-,20?,21?/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	600	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