BDBM50178188 CHEMBL3813731::US10206931, Example 114

SMILES: C[C@@H]1CC(=O)Nc2ccc(OCc3cccnc3)cc2O1

InChI Key: InChIKey=IMCUPUODKVOAGV-LLVKDONJSA-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 = 50178188   

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))	BDBM50178188 (CHEMBL3813731 | US10206931, Example 114) Show SMILES C[C@@H]1CC(=O)Nc2ccc(OCc3cccnc3)cc2O1 |r| Show InChI InChI=1S/C16H16N2O3/c1-11-7-16(19)18-14-5-4-13(8-15(14)21-11)20-10-12-3-2-6-17-9-12/h2-6,8-9,11H,7,10H2,1H3,(H,18,19)/t11-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Constellation Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of biotinylated ligand from recombinant His-tagged BRD4 bromodomain-1 (unknown origin) incubated for 10 mins by TR-FRET assay				ACS Med Chem Lett 7: 531-6 (2016) BindingDB Entry DOI: 10.7270/Q20G3N3S
					More data for this Ligand-Target Pair
BRD4 BD1 (aa 42-168) (Homo sapiens (Human))	BDBM50178188 (CHEMBL3813731 | US10206931, Example 114) Show SMILES C[C@@H]1CC(=O)Nc2ccc(OCc3cccnc3)cc2O1 |r| Show InChI InChI=1S/C16H16N2O3/c1-11-7-16(19)18-14-5-4-13(8-15(14)21-11)20-10-12-3-2-6-17-9-12/h2-6,8-9,11H,7,10H2,1H3,(H,18,19)/t11-/m1/s1	PDB GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	2.17E+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 US10206931 (2019) BindingDB Entry DOI: 10.7270/Q2GM89FR
					More data for this Ligand-Target Pair
CREB-binding protein (Homo sapiens (Human))	BDBM50178188 (CHEMBL3813731 | US10206931, Example 114) Show SMILES C[C@@H]1CC(=O)Nc2ccc(OCc3cccnc3)cc2O1 |r| Show InChI InChI=1S/C16H16N2O3/c1-11-7-16(19)18-14-5-4-13(8-15(14)21-11)20-10-12-3-2-6-17-9-12/h2-6,8-9,11H,7,10H2,1H3,(H,18,19)/t11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	493	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 US10206931 (2019) BindingDB Entry DOI: 10.7270/Q2GM89FR
					More data for this Ligand-Target Pair
CREB-binding protein (Homo sapiens (Human))	BDBM50178188 (CHEMBL3813731 | US10206931, Example 114) Show SMILES C[C@@H]1CC(=O)Nc2ccc(OCc3cccnc3)cc2O1 |r| Show InChI InChI=1S/C16H16N2O3/c1-11-7-16(19)18-14-5-4-13(8-15(14)21-11)20-10-12-3-2-6-17-9-12/h2-6,8-9,11H,7,10H2,1H3,(H,18,19)/t11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Constellation Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of biotinylated ligand from recombinant His-tagged CBP (unknown origin) incubated for 10 mins by TR-FRET assay				ACS Med Chem Lett 7: 531-6 (2016) BindingDB Entry DOI: 10.7270/Q20G3N3S
					More data for this Ligand-Target Pair