BDBM329755 Preparation of (−)-2-[(4R)-6-(4-chlorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-4-yl]-1-(1,1-dioxido-1-thia-6-azaspiro[3.3]hept-6-yl)ethanone::US9663523, Example 19

SMILES: Cc1nnc2[C@H](CC(=O)N3CC4(CCS4(=O)=O)C3)C=C(c3ccc(Cl)cc3)c3ccccc3-n12

InChI Key: InChIKey=OHQMHWHSIQSXMF-SFHVURJKSA-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 = 329755   

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))	BDBM329755 (Preparation of (−)-2-[(4R)-6-(4-chlorophenyl...) Show SMILES Cc1nnc2[C@H](CC(=O)N3CC4(CCS4(=O)=O)C3)C=C(c3ccc(Cl)cc3)c3ccccc3-n12 |r,t:20| Show InChI InChI=1S/C25H23ClN4O3S/c1-16-27-28-24-18(13-23(31)29-14-25(15-29)10-11-34(25,32)33)12-21(17-6-8-19(26)9-7-17)20-4-2-3-5-22(20)30(16)24/h2-9,12,18H,10-11,13-15H2,1H3/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	50	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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