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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 = 'BDBM50509833'   
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))
BDBM50509833
PNG
(CHEMBL4464915)
Show SMILES COc1cc(NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)c2cc3cc(Cl)ccc3[nH]2)cc(OC)c1 |r|
Show InChI InChI=1S/C39H38ClN5O10/c1-54-27-17-26(18-28(19-27)55-2)41-36(50)30(11-12-34(46)47)43-39(53)33(20-35(48)49)45-37(51)31(14-21-7-8-22-5-3-4-6-23(22)13-21)44-38(52)32-16-24-15-25(40)9-10-29(24)42-32/h3-10,13,15-19,30-31,33,42H,11-12,14,20H2,1-2H3,(H,41,50)(H,43,53)(H,44,52)(H,45,51)(H,46,47)(H,48,49)/t30-,31-,33-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
3.30E+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))
BDBM50509833
PNG
(CHEMBL4464915)
Show SMILES COc1cc(NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)c2cc3cc(Cl)ccc3[nH]2)cc(OC)c1 |r|
Show InChI InChI=1S/C39H38ClN5O10/c1-54-27-17-26(18-28(19-27)55-2)41-36(50)30(11-12-34(46)47)43-39(53)33(20-35(48)49)45-37(51)31(14-21-7-8-22-5-3-4-6-23(22)13-21)44-38(52)32-16-24-15-25(40)9-10-29(24)42-32/h3-10,13,15-19,30-31,33,42H,11-12,14,20H2,1-2H3,(H,41,50)(H,43,53)(H,44,52)(H,45,51)(H,46,47)(H,48,49)/t30-,31-,33-/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 1.30E+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