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BDBM50200378 CHEMBL3906525

SMILES: CCNC(=O)c1cccc(Nc2nn(CC3CC3)c3CCN(Cc23)C(C)=O)c1

InChI Key: InChIKey=NSRRDNGMQXSHPJ-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 = 50200378   
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))
BDBM50200378
PNG
(CHEMBL3906525)
Show SMILES CCNC(=O)c1cccc(Nc2nn(CC3CC3)c3CCN(Cc23)C(C)=O)c1
Show InChI InChI=1S/C21H27N5O2/c1-3-22-21(28)16-5-4-6-17(11-16)23-20-18-13-25(14(2)27)10-9-19(18)26(24-20)12-15-7-8-15/h4-6,11,15H,3,7-10,12-13H2,1-2H3,(H,22,28)(H,23,24)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.70E+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))
BDBM50200378
PNG
(CHEMBL3906525)
Show SMILES CCNC(=O)c1cccc(Nc2nn(CC3CC3)c3CCN(Cc23)C(C)=O)c1
Show InChI InChI=1S/C21H27N5O2/c1-3-22-21(28)16-5-4-6-17(11-16)23-20-18-13-25(14(2)27)10-9-19(18)26(24-20)12-15-7-8-15/h4-6,11,15H,3,7-10,12-13H2,1-2H3,(H,22,28)(H,23,24)
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 40n/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
CREB-binding protein/Histone acetyltransferase p300


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50200378
PNG
(CHEMBL3906525)
Show SMILES CCNC(=O)c1cccc(Nc2nn(CC3CC3)c3CCN(Cc23)C(C)=O)c1
Show InChI InChI=1S/C21H27N5O2/c1-3-22-21(28)16-5-4-6-17(11-16)23-20-18-13-25(14(2)27)10-9-19(18)26(24-20)12-15-7-8-15/h4-6,11,15H,3,7-10,12-13H2,1-2H3,(H,22,28)(H,23,24)
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.50E+3n/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