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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'CREB-binding protein' and Ligand = 'BDBM50250907'   
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))
BDBM50250907
PNG
(CHEMBL4095016 | US10696655, Example 19 | US1116807...)
Show SMILES CN1C(=O)CCc2ccc(cc12)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F
Show InChI InChI=1S/C24H24F2N4O/c1-28-14-17(13-27-28)19-10-16-4-3-9-30(22(16)12-20(19)24(25)26)18-7-5-15-6-8-23(31)29(2)21(15)11-18/h5,7,10-14,24H,3-4,6,8-9H2,1-2H3
PDB
MMDB

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US Patent
n/an/a 33n/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 US10696655 (2020)


BindingDB Entry DOI: 10.7270/Q2BV7KP0
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50250907
PNG
(CHEMBL4095016 | US10696655, Example 19 | US1116807...)
Show SMILES CN1C(=O)CCc2ccc(cc12)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F
Show InChI InChI=1S/C24H24F2N4O/c1-28-14-17(13-27-28)19-10-16-4-3-9-30(22(16)12-20(19)24(25)26)18-7-5-15-6-8-23(31)29(2)21(15)11-18/h5,7,10-14,24H,3-4,6,8-9H2,1-2H3
PDB
MMDB

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UniChem

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US Patent
n/an/a 33n/an/an/an/an/an/a


TBA

Assay Description
His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2BC42Q8
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50250907
PNG
(CHEMBL4095016 | US10696655, Example 19 | US1116807...)
Show SMILES CN1C(=O)CCc2ccc(cc12)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F
Show InChI InChI=1S/C24H24F2N4O/c1-28-14-17(13-27-28)19-10-16-4-3-9-30(22(16)12-20(19)24(25)26)18-7-5-15-6-8-23(31)29(2)21(15)11-18/h5,7,10-14,24H,3-4,6,8-9H2,1-2H3
PDB
MMDB

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PC sid
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Article
PubMed
n/an/a 38n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of His tagged recombinant CBP (unknown origin) by TR-FRET assay


J Med Chem 60: 10151-10171 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01372
BindingDB Entry DOI: 10.7270/Q27S7R65
More data for this
Ligand-Target Pair