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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 = 'BDBM345466'   
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))
BDBM345466
PNG
(Propane-2-sulfonic acid [2-(2- cyano-6-methoxy-phe...)
Show SMILES COc1cccc(C#N)c1Oc1nc(NS(=O)(=O)C(C)C)cc(n1)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C22H23N5O5S/c1-13(2)33(29,30)26-19-10-17(16-9-14(3)21(28)27(4)12-16)24-22(25-19)32-20-15(11-23)7-6-8-18(20)31-5/h6-10,12-13H,1-5H3,(H,24,25,26)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
Determination of the IC50 for the CREBBP inhibitors disclosed herein was performed as follows: CREBBP was cloned and expressed in E. Coli as His-tag ...


US Patent US10202360 (2019)

More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM345466
PNG
(Propane-2-sulfonic acid [2-(2- cyano-6-methoxy-phe...)
Show SMILES COc1cccc(C#N)c1Oc1nc(NS(=O)(=O)C(C)C)cc(n1)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C22H23N5O5S/c1-13(2)33(29,30)26-19-10-17(16-9-14(3)21(28)27(4)12-16)24-22(25-19)32-20-15(11-23)7-6-8-18(20)31-5/h6-10,12-13H,1-5H3,(H,24,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
Determination of the IC50 for the CREBBP inhibitors disclosed herein was performed as follows: CREBBP was cloned and expressed in E. Coli as His-tag ...


US Patent US10202360 (2019)

More data for this
Ligand-Target Pair