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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 = 'BDBM50200425'   
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))
BDBM50200425
PNG
(CHEMBL3934488)
Show SMILES CCCNC(=O)c1cccc(Nc2nn(CC3CC3)c3CCN(Cc23)C(C)=O)c1
Show InChI InChI=1S/C22H29N5O2/c1-3-10-23-22(29)17-5-4-6-18(12-17)24-21-19-14-26(15(2)28)11-9-20(19)27(25-21)13-16-7-8-16/h4-6,12,16H,3,7-11,13-14H2,1-2H3,(H,23,29)(H,24,25)
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PC cid
PC sid
UniChem

Patents

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
CREB-binding protein/Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50200425
PNG
(CHEMBL3934488)
Show SMILES CCCNC(=O)c1cccc(Nc2nn(CC3CC3)c3CCN(Cc23)C(C)=O)c1
Show InChI InChI=1S/C22H29N5O2/c1-3-10-23-22(29)17-5-4-6-18(12-17)24-21-19-14-26(15(2)28)11-9-20(19)27(25-21)13-16-7-8-16/h4-6,12,16H,3,7-11,13-14H2,1-2H3,(H,23,29)(H,24,25)
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1.30E+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