BDBM50200457 CHEMBL3943463::US9763922, Example 220

SMILES: CN(C)C(=O)c1cccc(Nc2nn(CC3CC3)c3CCN(Cc23)C(C)=O)c1

InChI Key: InChIKey=RONQAYQWPFKHGK-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50200457   

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))	BDBM50200457 (CHEMBL3943463 | US9763922, Example 220) Show SMILES CN(C)C(=O)c1cccc(Nc2nn(CC3CC3)c3CCN(Cc23)C(C)=O)c1 Show InChI InChI=1S/C21H27N5O2/c1-14(27)25-10-9-19-18(13-25)20(23-26(19)12-15-7-8-15)22-17-6-4-5-16(11-17)21(28)24(2)3/h4-6,11,15H,7-10,12-13H2,1-3H3,(H,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+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))	BDBM50200457 (CHEMBL3943463 | US9763922, Example 220) Show SMILES CN(C)C(=O)c1cccc(Nc2nn(CC3CC3)c3CCN(Cc23)C(C)=O)c1 Show InChI InChI=1S/C21H27N5O2/c1-14(27)25-10-9-19-18(13-25)20(23-26(19)12-15-7-8-15)22-17-6-4-5-16(11-17)21(28)24(2)3/h4-6,11,15H,7-10,12-13H2,1-3H3,(H,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9.72E+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))	BDBM50200457 (CHEMBL3943463 | US9763922, Example 220) Show SMILES CN(C)C(=O)c1cccc(Nc2nn(CC3CC3)c3CCN(Cc23)C(C)=O)c1 Show InChI InChI=1S/C21H27N5O2/c1-14(27)25-10-9-19-18(13-25)20(23-26(19)12-15-7-8-15)22-17-6-4-5-16(11-17)21(28)24(2)3/h4-6,11,15H,7-10,12-13H2,1-3H3,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	290	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))	BDBM50200457 (CHEMBL3943463 | US9763922, Example 220) Show SMILES CN(C)C(=O)c1cccc(Nc2nn(CC3CC3)c3CCN(Cc23)C(C)=O)c1 Show InChI InChI=1S/C21H27N5O2/c1-14(27)25-10-9-19-18(13-25)20(23-26(19)12-15-7-8-15)22-17-6-4-5-16(11-17)21(28)24(2)3/h4-6,11,15H,7-10,12-13H2,1-3H3,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	360	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