BDBM340490 US9763922, Example 21

SMILES: CNC1=C(CN(CC1)C(C)=O)C(=N)Nc1cc(C)cc(c1)-c1cnn(C)c1

InChI Key: InChIKey=VPENCLLOCSRRGB-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 340490   

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))	BDBM340490 (US9763922, Example 21) Show SMILES CNC1=C(CN(CC1)C(C)=O)C(=N)Nc1cc(C)cc(c1)-c1cnn(C)c1 |t:2| Show InChI InChI=1S/C20H26N6O/c1-13-7-15(16-10-23-25(4)11-16)9-17(8-13)24-20(21)18-12-26(14(2)27)6-5-19(18)22-3/h7-11,22H,5-6,12H2,1-4H3,(H2,21,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.87E+3	n/a	n/a	n/a	n/a	n/a	n/a
GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC. US Patent					Assay Description His/Flag epitope tagged BRD4 BD142-168 was cloned, expressed, and purified to. BRD4 binding and inhibition was assessed by monitoring the engagement ...				US Patent US9763922 (2017) BindingDB Entry DOI: 10.7270/Q23N25G6
					More data for this Ligand-Target Pair
CREB-binding protein (Homo sapiens (Human))	BDBM340490 (US9763922, Example 21) Show SMILES CNC1=C(CN(CC1)C(C)=O)C(=N)Nc1cc(C)cc(c1)-c1cnn(C)c1 |t:2| Show InChI InChI=1S/C20H26N6O/c1-13-7-15(16-10-23-25(4)11-16)9-17(8-13)24-20(21)18-12-26(14(2)27)6-5-19(18)22-3/h7-11,22H,5-6,12H2,1-4H3,(H2,21,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC. US Patent					Assay Description His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement ...				US Patent US9763922 (2017) BindingDB Entry DOI: 10.7270/Q23N25G6
					More data for this Ligand-Target Pair