BDBM50178169 CHEMBL3814896::US10206931, Example 75

SMILES: C[C@@H]1CC(=O)Nc2cccc(C(=O)Nc3cccc(c3)-c3cnco3)c2N1

InChI Key: InChIKey=PCFCRYVUCIKPFE-GFCCVEGCSA-N

Data: 4 IC50  1 EC50

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 = 50178169   

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))	BDBM50178169 (CHEMBL3814896 | US10206931, Example 75) Show SMILES C[C@@H]1CC(=O)Nc2cccc(C(=O)Nc3cccc(c3)-c3cnco3)c2N1 |r| Show InChI InChI=1S/C20H18N4O3/c1-12-8-18(25)24-16-7-3-6-15(19(16)22-12)20(26)23-14-5-2-4-13(9-14)17-10-21-11-27-17/h2-7,9-12,22H,8H2,1H3,(H,23,26)(H,24,25)/t12-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	8.00E+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
CREB-binding protein (Homo sapiens (Human))	BDBM50178169 (CHEMBL3814896 | US10206931, Example 75) Show SMILES C[C@@H]1CC(=O)Nc2cccc(C(=O)Nc3cccc(c3)-c3cnco3)c2N1 |r| Show InChI InChI=1S/C20H18N4O3/c1-12-8-18(25)24-16-7-3-6-15(19(16)22-12)20(26)23-14-5-2-4-13(9-14)17-10-21-11-27-17/h2-7,9-12,22H,8H2,1H3,(H,23,26)(H,24,25)/t12-/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	39	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
BRD4 BD1 (aa 42-168) (Homo sapiens (Human))	BDBM50178169 (CHEMBL3814896 | US10206931, Example 75) Show SMILES C[C@@H]1CC(=O)Nc2cccc(C(=O)Nc3cccc(c3)-c3cnco3)c2N1 |r| Show InChI InChI=1S/C20H18N4O3/c1-12-8-18(25)24-16-7-3-6-15(19(16)22-12)20(26)23-14-5-2-4-13(9-14)17-10-21-11-27-17/h2-7,9-12,22H,8H2,1H3,(H,23,26)(H,24,25)/t12-/m1/s1	PDB GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	5.61E+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))	BDBM50178169 (CHEMBL3814896 | US10206931, Example 75) Show SMILES C[C@@H]1CC(=O)Nc2cccc(C(=O)Nc3cccc(c3)-c3cnco3)c2N1 |r| Show InChI InChI=1S/C20H18N4O3/c1-12-8-18(25)24-16-7-3-6-15(19(16)22-12)20(26)23-14-5-2-4-13(9-14)17-10-21-11-27-17/h2-7,9-12,22H,8H2,1H3,(H,23,26)(H,24,25)/t12-/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	192	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))	BDBM50178169 (CHEMBL3814896 | US10206931, Example 75) Show SMILES C[C@@H]1CC(=O)Nc2cccc(C(=O)Nc3cccc(c3)-c3cnco3)c2N1 |r| Show InChI InChI=1S/C20H18N4O3/c1-12-8-18(25)24-16-7-3-6-15(19(16)22-12)20(26)23-14-5-2-4-13(9-14)17-10-21-11-27-17/h2-7,9-12,22H,8H2,1H3,(H,23,26)(H,24,25)/t12-/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	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a
Constellation Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Halo-tagged histone H3.3 binding to CBP (unknown origin) expressed in HEK293 cells after overnight incubation by luciferase reporter ge...				ACS Med Chem Lett 7: 531-6 (2016) BindingDB Entry DOI: 10.7270/Q20G3N3S
					More data for this Ligand-Target Pair