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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'CREB-binding protein/Histone acetyltransferase p300' and Ligand = 'BDBM50200377'   
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))
BDBM50200377
PNG
(CHEMBL3962542 | US9763922, Example 64)
Show SMILES CC(=O)N1CCc2c(C1)c(Nc1cccc(c1)-c1ccncc1)nn2CC1CC1
Show InChI InChI=1S/C23H25N5O/c1-16(29)27-12-9-22-21(15-27)23(26-28(22)14-17-5-6-17)25-20-4-2-3-19(13-20)18-7-10-24-11-8-18/h2-4,7-8,10-11,13,17H,5-6,9,12,14-15H2,1H3,(H,25,26)
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PC sid
UniChem

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Article
PubMed
n/an/a 20n/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))
BDBM50200377
PNG
(CHEMBL3962542 | US9763922, Example 64)
Show SMILES CC(=O)N1CCc2c(C1)c(Nc1cccc(c1)-c1ccncc1)nn2CC1CC1
Show InChI InChI=1S/C23H25N5O/c1-16(29)27-12-9-22-21(15-27)23(26-28(22)14-17-5-6-17)25-20-4-2-3-19(13-20)18-7-10-24-11-8-18/h2-4,7-8,10-11,13,17H,5-6,9,12,14-15H2,1H3,(H,25,26)
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 280n/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