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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Protein Wnt-3a' and Ligand = 'BDBM300606'   
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
Protein Wnt-3a


(Homo sapiens (Human))
BDBM300606
PNG
(4-(methoxymethyl)-N-[5-(2-methylphenyl)-1,3,4-thia...)
Show SMILES COCc1ccc(cc1NC(=O)CN1CCOCC1)C(=O)Nc1nnc(s1)-c1ccccc1C |$;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;$|
Show InChI InChI=1S/C24H27N5O4S/c1-16-5-3-4-6-19(16)23-27-28-24(34-23)26-22(31)17-7-8-18(15-32-2)20(13-17)25-21(30)14-29-9-11-33-12-10-29/h3-8,13H,9-12,14-15H2,1-2H3,(H,25,30)(H,26,28,31)
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 315n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
In preparation of the assay, the two cell lines were plated 24 hours before at 10000 cells per well of a 384 micro titre plate (MTP) in 30 μL gr...


US Patent US10130633 (2018)


BindingDB Entry DOI: 10.7270/Q2FN188G
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Homo sapiens (Human))
BDBM300606
PNG
(4-(methoxymethyl)-N-[5-(2-methylphenyl)-1,3,4-thia...)
Show SMILES COCc1ccc(cc1NC(=O)CN1CCOCC1)C(=O)Nc1nnc(s1)-c1ccccc1C |$;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;$|
Show InChI InChI=1S/C24H27N5O4S/c1-16-5-3-4-6-19(16)23-27-28-24(34-23)26-22(31)17-7-8-18(15-32-2)20(13-17)25-21(30)14-29-9-11-33-12-10-29/h3-8,13H,9-12,14-15H2,1-2H3,(H,25,30)(H,26,28,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>5.00E+4n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
In preparation of the assay, the two cell lines were plated 24 hours before at 10000 cells per well of a 384 micro titre plate (MTP) in 30 μL gr...


US Patent US10130633 (2018)


BindingDB Entry DOI: 10.7270/Q2FN188G
More data for this
Ligand-Target Pair