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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'CREB-binding protein' and Ligand = 'BDBM50178188'   
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


(Homo sapiens (Human))
BDBM50178188
PNG
(CHEMBL3813731 | US10206931, Example 114)
Show SMILES C[C@@H]1CC(=O)Nc2ccc(OCc3cccnc3)cc2O1 |r|
Show InChI InChI=1S/C16H16N2O3/c1-11-7-16(19)18-14-5-4-13(8-15(14)21-11)20-10-12-3-2-6-17-9-12/h2-6,8-9,11H,7,10H2,1H3,(H,18,19)/t11-/m1/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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

Patents


Similars

US Patent
n/an/a 493n/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 US10206931 (2019)


BindingDB Entry DOI: 10.7270/Q2GM89FR
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50178188
PNG
(CHEMBL3813731 | US10206931, Example 114)
Show SMILES C[C@@H]1CC(=O)Nc2ccc(OCc3cccnc3)cc2O1 |r|
Show InChI InChI=1S/C16H16N2O3/c1-11-7-16(19)18-14-5-4-13(8-15(14)21-11)20-10-12-3-2-6-17-9-12/h2-6,8-9,11H,7,10H2,1H3,(H,18,19)/t11-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 1.90E+3n/an/an/an/an/an/a



Constellation Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of biotinylated ligand from recombinant His-tagged CBP (unknown origin) incubated for 10 mins by TR-FRET assay


ACS Med Chem Lett 7: 531-6 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00075
BindingDB Entry DOI: 10.7270/Q20G3N3S
More data for this
Ligand-Target Pair