BDBM50200432 CHEMBL3917803::US9763922, Example 222

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

InChI Key: InChIKey=IMKSEBVXLVCTHC-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 = 50200432   

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))	BDBM50200432 (CHEMBL3917803 | US9763922, Example 222) Show SMILES COCCNC(=O)c1cccc(Nc2nn(CC3CC3)c3CCN(Cc23)C(C)=O)c1 Show InChI InChI=1S/C22H29N5O3/c1-15(28)26-10-8-20-19(14-26)21(25-27(20)13-16-6-7-16)24-18-5-3-4-17(12-18)22(29)23-9-11-30-2/h3-5,12,16H,6-11,13-14H2,1-2H3,(H,23,29)(H,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+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))	BDBM50200432 (CHEMBL3917803 | US9763922, Example 222) Show SMILES COCCNC(=O)c1cccc(Nc2nn(CC3CC3)c3CCN(Cc23)C(C)=O)c1 Show InChI InChI=1S/C22H29N5O3/c1-15(28)26-10-8-20-19(14-26)21(25-27(20)13-16-6-7-16)24-18-5-3-4-17(12-18)22(29)23-9-11-30-2/h3-5,12,16H,6-11,13-14H2,1-2H3,(H,23,29)(H,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>1.97E+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))	BDBM50200432 (CHEMBL3917803 | US9763922, Example 222) Show SMILES COCCNC(=O)c1cccc(Nc2nn(CC3CC3)c3CCN(Cc23)C(C)=O)c1 Show InChI InChI=1S/C22H29N5O3/c1-15(28)26-10-8-20-19(14-26)21(25-27(20)13-16-6-7-16)24-18-5-3-4-17(12-18)22(29)23-9-11-30-2/h3-5,12,16H,6-11,13-14H2,1-2H3,(H,23,29)(H,24,25)	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	3.28E+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 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))	BDBM50200432 (CHEMBL3917803 | US9763922, Example 222) Show SMILES COCCNC(=O)c1cccc(Nc2nn(CC3CC3)c3CCN(Cc23)C(C)=O)c1 Show InChI InChI=1S/C22H29N5O3/c1-15(28)26-10-8-20-19(14-26)21(25-27(20)13-16-6-7-16)24-18-5-3-4-17(12-18)22(29)23-9-11-30-2/h3-5,12,16H,6-11,13-14H2,1-2H3,(H,23,29)(H,24,25)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40E+3	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