BindingDB logo
myBDB logout

BDBM50200459 CHEMBL3920459

SMILES: CC(=O)N1CCc2c(C1)c(Nc1cccc(c1)-c1cnoc1)nn2CC1CC1

InChI Key: InChIKey=NPRLPBVOWPMZCP-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50200459   
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
CREB-binding protein/Histone acetyltransferase p300


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50200459
PNG
(CHEMBL3920459)
Show SMILES CC(=O)N1CCc2c(C1)c(Nc1cccc(c1)-c1cnoc1)nn2CC1CC1
Show InChI InChI=1S/C21H23N5O2/c1-14(27)25-8-7-20-19(12-25)21(24-26(20)11-15-5-6-15)23-18-4-2-3-16(9-18)17-10-22-28-13-17/h2-4,9-10,13,15H,5-8,11-12H2,1H3,(H,23,24)
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 540n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of Halo-tagged histone H3.3 binding to CBP/EP300 (unknown origin) expressed in HEK293 cells measured after overnight incubation by lucifer...


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))
BDBM50200459
PNG
(CHEMBL3920459)
Show SMILES CC(=O)N1CCc2c(C1)c(Nc1cccc(c1)-c1cnoc1)nn2CC1CC1
Show InChI InChI=1S/C21H23N5O2/c1-14(27)25-8-7-20-19(12-25)21(24-26(20)11-15-5-6-15)23-18-4-2-3-16(9-18)17-10-22-28-13-17/h2-4,9-10,13,15H,5-8,11-12H2,1H3,(H,23,24)
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 30n/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
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50200459
PNG
(CHEMBL3920459)
Show SMILES CC(=O)N1CCc2c(C1)c(Nc1cccc(c1)-c1cnoc1)nn2CC1CC1
Show InChI InChI=1S/C21H23N5O2/c1-14(27)25-8-7-20-19(12-25)21(24-26(20)11-15-5-6-15)23-18-4-2-3-16(9-18)17-10-22-28-13-17/h2-4,9-10,13,15H,5-8,11-12H2,1H3,(H,23,24)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.60E+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