BDBM50178170 CHEMBL3814881

SMILES: C[C@@H]1CC(=O)Nc2cccc(C(=O)NC3CCOc4ccccc34)c2N1

InChI Key: InChIKey=ORMYMARBHUUXAQ-KEKZHRQWSA-N

Data: 2 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 3 hits for monomerid = 50178170   

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))	BDBM50178170 (CHEMBL3814881) Show SMILES C[C@@H]1CC(=O)Nc2cccc(C(=O)NC3CCOc4ccccc34)c2N1 |r| Show InChI InChI=1S/C20H21N3O3/c1-12-11-18(24)22-16-7-4-6-14(19(16)21-12)20(25)23-15-9-10-26-17-8-3-2-5-13(15)17/h2-8,12,15,21H,9-11H2,1H3,(H,22,24)(H,23,25)/t12-,15?/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))	BDBM50178170 (CHEMBL3814881) Show SMILES C[C@@H]1CC(=O)Nc2cccc(C(=O)NC3CCOc4ccccc34)c2N1 |r| Show InChI InChI=1S/C20H21N3O3/c1-12-11-18(24)22-16-7-4-6-14(19(16)21-12)20(25)23-15-9-10-26-17-8-3-2-5-13(15)17/h2-8,12,15,21H,9-11H2,1H3,(H,22,24)(H,23,25)/t12-,15?/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	>1.00E+4	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
CREB-binding protein (Homo sapiens (Human))	BDBM50178170 (CHEMBL3814881) Show SMILES C[C@@H]1CC(=O)Nc2cccc(C(=O)NC3CCOc4ccccc34)c2N1 |r| Show InChI InChI=1S/C20H21N3O3/c1-12-11-18(24)22-16-7-4-6-14(19(16)21-12)20(25)23-15-9-10-26-17-8-3-2-5-13(15)17/h2-8,12,15,21H,9-11H2,1H3,(H,22,24)(H,23,25)/t12-,15?/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	670	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