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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'B-cell CLL/lymphoma 9 protein' and Ligand = 'BDBM50501093'   
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
B-cell CLL/lymphoma 9 protein


(Homo sapiens)
BDBM50501093
PNG
(CHEMBL3818263)
Show SMILES Cl.Cl.Fc1cc(cc(c1)C(=O)N1CCN(CC1)C(=O)c1ccc(O[C@H]2CCNC2)c(c1)C1CCC(F)(F)CC1)N1CCNCC1 |r|
Show InChI InChI=1S/C32H40F3N5O3.2ClH/c33-25-17-24(18-26(20-25)38-11-9-36-10-12-38)31(42)40-15-13-39(14-16-40)30(41)23-1-2-29(43-27-5-8-37-21-27)28(19-23)22-3-6-32(34,35)7-4-22;;/h1-2,17-20,22,27,36-37H,3-16,21H2;2*1H/t27-;;/m0../s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
4.50E+4n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Competitive inhibition of wild type beta-catenin (unknown origin) expressed in Escherichia coli BL21 DE3 interaction with N-terminally biotinylated h...


ACS Med Chem Lett 7: 508-13 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00284
BindingDB Entry DOI: 10.7270/Q2T43X4J
More data for this
Ligand-Target Pair