US11028090, Example 448

SMILES: CC(C)Oc1ccc2c(c1)nc(NCCCCN)c1nnc(C)n21

InChI Key: InChIKey=VDHITTANZGHBCB-UHFFFAOYSA-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 = 502527   

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))	BDBM502527 (US11028090, Example 448) Show SMILES CC(C)Oc1ccc2c(c1)nc(NCCCCN)c1nnc(C)n21 Show InChI InChI=1S/C17H24N6O/c1-11(2)24-13-6-7-15-14(10-13)20-16(19-9-5-4-8-18)17-22-21-12(3)23(15)17/h6-7,10-11H,4-5,8-9,18H2,1-3H3,(H,19,20)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Dong Wha Pharm. Co., Ltd.; Korea Research Institute of Chemical Technology US Patent					Assay Description The following experiment was performed to evaluate the ability of [1,2,4]triazolo[4,3-a]quinoxaline derivative of the present invention to inhibit th...				US Patent US11028090 (2021)
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