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BDBM50200386 CHEMBL3909879

SMILES: CC(=O)N1CCc2c(C1)c(Nc1cccc(C)c1)nn2CCC1CC1

InChI Key: InChIKey=CEPJZYYWEDIEOG-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50200386   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50200386
PNG
(CHEMBL3909879)
Show SMILES CC(=O)N1CCc2c(C1)c(Nc1cccc(C)c1)nn2CCC1CC1
Show InChI InChI=1S/C20H26N4O/c1-14-4-3-5-17(12-14)21-20-18-13-23(15(2)25)10-9-19(18)24(22-20)11-8-16-6-7-16/h3-5,12,16H,6-11,13H2,1-2H3,(H,21,22)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.80E+3n/an/an/an/an/an/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
CREB-binding protein/Histone acetyltransferase p300


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50200386
PNG
(CHEMBL3909879)
Show SMILES CC(=O)N1CCc2c(C1)c(Nc1cccc(C)c1)nn2CCC1CC1
Show InChI InChI=1S/C20H26N4O/c1-14-4-3-5-17(12-14)21-20-18-13-23(15(2)25)10-9-19(18)24(22-20)11-8-16-6-7-16/h3-5,12,16H,6-11,13H2,1-2H3,(H,21,22)
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 180n/an/an/an/an/an/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