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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Catenin beta-1' and Ligand = 'BDBM50509786'   
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
Catenin beta-1


(Homo sapiens (Human))
BDBM50509786
PNG
(CHEMBL4577989)
Show SMILES NC(=O)C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)c1cc2cc(Cl)ccc2[nH]1)C(=O)N[C@@H](Cc1nn[nH]n1)C(=O)Nc1ccc(OC(F)(F)F)cc1 |r|
Show InChI InChI=1S/C37H32ClF3N10O6/c38-23-7-12-26-22(15-23)16-28(44-26)35(55)45-27(14-19-5-6-20-3-1-2-4-21(20)13-19)34(54)46-29(17-31(42)52)36(56)47-30(18-32-48-50-51-49-32)33(53)43-24-8-10-25(11-9-24)57-37(39,40)41/h1-13,15-16,27,29-30,44H,14,17-18H2,(H2,42,52)(H,43,53)(H,45,55)(H,46,54)(H,47,56)(H,48,49,50,51)/t27-,29-,30-/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
4.90E+3n/an/an/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute

Curated by ChEMBL


Assay Description
Inhibition of C-terminal fluorescein-labeled human TCF4 (7 to 51 residues) binding to wild-type C-terminal His6-tagged beta-catenin (138 to 781 resid...


J Med Chem 62: 3617-3635 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00147
BindingDB Entry DOI: 10.7270/Q2KP85G5
More data for this
Ligand-Target Pair
Catenin beta-1


(Homo sapiens (Human))
BDBM50509786
PNG
(CHEMBL4577989)
Show SMILES NC(=O)C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)c1cc2cc(Cl)ccc2[nH]1)C(=O)N[C@@H](Cc1nn[nH]n1)C(=O)Nc1ccc(OC(F)(F)F)cc1 |r|
Show InChI InChI=1S/C37H32ClF3N10O6/c38-23-7-12-26-22(15-23)16-28(44-26)35(55)45-27(14-19-5-6-20-3-1-2-4-21(20)13-19)34(54)46-29(17-31(42)52)36(56)47-30(18-32-48-50-51-49-32)33(53)43-24-8-10-25(11-9-24)57-37(39,40)41/h1-13,15-16,27,29-30,44H,14,17-18H2,(H2,42,52)(H,43,53)(H,45,55)(H,46,54)(H,47,56)(H,48,49,50,51)/t27-,29-,30-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.90E+4n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute

Curated by ChEMBL


Assay Description
Inhibition of C-terminal fluorescein-labeled human TCF4 (7 to 51 residues) binding to wild-type C-terminal His6-tagged beta-catenin (138 to 781 resid...


J Med Chem 62: 3617-3635 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00147
BindingDB Entry DOI: 10.7270/Q2KP85G5
More data for this
Ligand-Target Pair