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Compile Data Set for Download or QSAR

Found 4 hits of ic50 for monomerid = 50200391   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM50200391
PNG
(CHEMBL3928531 | US9763922, Example 214)
Show SMILES CC(=O)N1CCc2c(C1)c(Nc1cccc(C)c1)nn2CCC#N
Show InChI InChI=1S/C18H21N5O/c1-13-5-3-6-15(11-13)20-18-16-12-22(14(2)24)10-7-17(16)23(21-18)9-4-8-19/h3,5-6,11H,4,7,9-10,12H2,1-2H3,(H,20,21)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 220n/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


(Homo sapiens (Human))
BDBM50200391
PNG
(CHEMBL3928531 | US9763922, Example 214)
Show SMILES CC(=O)N1CCc2c(C1)c(Nc1cccc(C)c1)nn2CCC#N
Show InChI InChI=1S/C18H21N5O/c1-13-5-3-6-15(11-13)20-18-16-12-22(14(2)24)10-7-17(16)23(21-18)9-4-8-19/h3,5-6,11H,4,7,9-10,12H2,1-2H3,(H,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 220n/an/an/an/an/an/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 US9763922 (2017)


BindingDB Entry DOI: 10.7270/Q23N25G6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50200391
PNG
(CHEMBL3928531 | US9763922, Example 214)
Show SMILES CC(=O)N1CCc2c(C1)c(Nc1cccc(C)c1)nn2CCC#N
Show InChI InChI=1S/C18H21N5O/c1-13-5-3-6-15(11-13)20-18-16-12-22(14(2)24)10-7-17(16)23(21-18)9-4-8-19/h3,5-6,11H,4,7,9-10,12H2,1-2H3,(H,20,21)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.46E+4n/an/an/an/an/an/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 US9763922 (2017)


BindingDB Entry DOI: 10.7270/Q23N25G6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50200391
PNG
(CHEMBL3928531 | US9763922, Example 214)
Show SMILES CC(=O)N1CCc2c(C1)c(Nc1cccc(C)c1)nn2CCC#N
Show InChI InChI=1S/C18H21N5O/c1-13-5-3-6-15(11-13)20-18-16-12-22(14(2)24)10-7-17(16)23(21-18)9-4-8-19/h3,5-6,11H,4,7,9-10,12H2,1-2H3,(H,20,21)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.00E+4n/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