BDBM50178216 CHEMBL3814920::US10206931, Example 131

SMILES: C[C@@H]1CC(=O)Nc2ccccc2N1

InChI Key: InChIKey=BBPWQLMHOSRDMA-SSDOTTSWSA-N

Data: 5 IC50

PDB links: 1 PDB ID matches this monomer.

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 5 hits for monomerid = 50178216   

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))	BDBM50178216 (CHEMBL3814920 | US10206931, Example 131) Show SMILES C[C@@H]1CC(=O)Nc2ccccc2N1 |r| Show InChI InChI=1S/C10H12N2O/c1-7-6-10(13)12-9-5-3-2-4-8(9)11-7/h2-5,7,11H,6H2,1H3,(H,12,13)/t7-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	2.60E+5	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
CREB-binding protein (Homo sapiens (Human))	BDBM50178216 (CHEMBL3814920 | US10206931, Example 131) Show SMILES C[C@@H]1CC(=O)Nc2ccccc2N1 |r| Show InChI InChI=1S/C10H12N2O/c1-7-6-10(13)12-9-5-3-2-4-8(9)11-7/h2-5,7,11H,6H2,1H3,(H,12,13)/t7-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	2.70E+4	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				3D Structure (crystal)
CREB-binding protein/Histone acetyltransferase p300 (Homo sapiens (Human))	BDBM50178216 (CHEMBL3814920 | US10206931, Example 131) Show SMILES C[C@@H]1CC(=O)Nc2ccccc2N1 |r| Show InChI InChI=1S/C10H12N2O/c1-7-6-10(13)12-9-5-3-2-4-8(9)11-7/h2-5,7,11H,6H2,1H3,(H,12,13)/t7-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Jilin University Curated by ChEMBL					Assay Description Inhibition of human His-FLAG tagged CBP/EP300 (1082 to 1197 residues) using H4-TetraAc-biotin peptide as substrate after 90 mins by AlphaLISA method				Bioorg Med Chem 26: 712-720 (2018) Article DOI: 10.1016/j.bmc.2017.12.040 BindingDB Entry DOI: 10.7270/Q2VH5RFC
					More data for this Ligand-Target Pair				3D Structure (crystal)
BRD4 BD1 (aa 42-168) (Homo sapiens (Human))	BDBM50178216 (CHEMBL3814920 | US10206931, Example 131) Show SMILES C[C@@H]1CC(=O)Nc2ccccc2N1 |r| Show InChI InChI=1S/C10H12N2O/c1-7-6-10(13)12-9-5-3-2-4-8(9)11-7/h2-5,7,11H,6H2,1H3,(H,12,13)/t7-/m1/s1	PDB GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents 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 US10206931 (2019) BindingDB Entry DOI: 10.7270/Q2GM89FR
					More data for this Ligand-Target Pair
CREB-binding protein (Homo sapiens (Human))	BDBM50178216 (CHEMBL3814920 | US10206931, Example 131) Show SMILES C[C@@H]1CC(=O)Nc2ccccc2N1 |r| Show InChI InChI=1S/C10H12N2O/c1-7-6-10(13)12-9-5-3-2-4-8(9)11-7/h2-5,7,11H,6H2,1H3,(H,12,13)/t7-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB US Patent	n/a	n/a	2.13E+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 US10206931 (2019) BindingDB Entry DOI: 10.7270/Q2GM89FR
					More data for this Ligand-Target Pair				3D Structure (crystal)