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SMILES: CCn1nc(Nc2cccc(C)c2)c2CN(CCc12)C(C)=O

InChI Key: InChIKey=LPEFXYUIOKMUCW-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50200398   

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))	BDBM50200398 (CHEMBL3910675 | US9763922, Example 199) Show SMILES CCn1nc(Nc2cccc(C)c2)c2CN(CCc12)C(C)=O Show InChI InChI=1S/C17H22N4O/c1-4-21-16-8-9-20(13(3)22)11-15(16)17(19-21)18-14-7-5-6-12(2)10-14/h5-7,10H,4,8-9,11H2,1-3H3,(H,18,19)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Displacement of biotinylated ligand from recombinant His-tagged BRD4 bromodomain-1 (unknown origin) measured after 10 mins by TR-FRET assay				J Med Chem 59: 10549-10563 (2016) Article DOI: 10.1021/acs.jmedchem.6b01022 BindingDB Entry DOI: 10.7270/Q27083DF
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50200398 (CHEMBL3910675 | US9763922, Example 199) Show SMILES CCn1nc(Nc2cccc(C)c2)c2CN(CCc12)C(C)=O Show InChI InChI=1S/C17H22N4O/c1-4-21-16-8-9-20(13(3)22)11-15(16)17(19-21)18-14-7-5-6-12(2)10-14/h5-7,10H,4,8-9,11H2,1-3H3,(H,18,19)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	n/a	n/a	1.41E+4	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))	BDBM50200398 (CHEMBL3910675 | US9763922, Example 199) Show SMILES CCn1nc(Nc2cccc(C)c2)c2CN(CCc12)C(C)=O Show InChI InChI=1S/C17H22N4O/c1-4-21-16-8-9-20(13(3)22)11-15(16)17(19-21)18-14-7-5-6-12(2)10-14/h5-7,10H,4,8-9,11H2,1-3H3,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	n/a	n/a	180	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
CREB-binding protein/Histone acetyltransferase p300 (Homo sapiens (Human))	BDBM50200398 (CHEMBL3910675 | US9763922, Example 199) Show SMILES CCn1nc(Nc2cccc(C)c2)c2CN(CCc12)C(C)=O Show InChI InChI=1S/C17H22N4O/c1-4-21-16-8-9-20(13(3)22)11-15(16)17(19-21)18-14-7-5-6-12(2)10-14/h5-7,10H,4,8-9,11H2,1-3H3,(H,18,19)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Displacement of biotinylated ligand from recombinant His-tagged CBP/EP300 (unknown origin) measured after 10 mins by TR-FRET assay				J Med Chem 59: 10549-10563 (2016) Article DOI: 10.1021/acs.jmedchem.6b01022 BindingDB Entry DOI: 10.7270/Q27083DF
					More data for this Ligand-Target Pair