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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 = 'BDBM346247'   
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


(Mus musculus)
BDBM346247
PNG
(2-[2-methyl-4-(2-methyl-4-pyridyl)pyrrolo[2,3-d]py...)
Show SMILES Cc1cc(ccn1)-c1nc(C)nc2n(CC(=O)Nc3ccc(cn3)-c3cnccn3)ccc12
Show InChI InChI=1S/C24H20N8O/c1-15-11-17(5-7-26-15)23-19-6-10-32(24(19)30-16(2)29-23)14-22(33)31-21-4-3-18(12-28-21)20-13-25-8-9-27-20/h3-13H,14H2,1-2H3,(H,28,31,33)
PDB

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KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.320n/an/an/an/an/an/a



Redx Pharma PLC

US Patent


Assay Description
Mouse L cells transfected to constitutively produce biologically active murine Wnt-3a, referred to as L-Wnt cells, were purchased from the American T...


US Patent US10202375 (2019)


BindingDB Entry DOI: 10.7270/Q29W0HMN
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Mus musculus)
BDBM346247
PNG
(2-[2-methyl-4-(2-methyl-4-pyridyl)pyrrolo[2,3-d]py...)
Show SMILES Cc1cc(ccn1)-c1nc(C)nc2n(CC(=O)Nc3ccc(cn3)-c3cnccn3)ccc12
Show InChI InChI=1S/C24H20N8O/c1-15-11-17(5-7-26-15)23-19-6-10-32(24(19)30-16(2)29-23)14-22(33)31-21-4-3-18(12-28-21)20-13-25-8-9-27-20/h3-13H,14H2,1-2H3,(H,28,31,33)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



Redx Pharma PLC

US Patent


Assay Description
Mouse L cells transfected to constitutively produce biologically active murine Wnt-3a, referred to as L-Wnt cells, were purchased from the American T...


US Patent US10202375 (2019)


BindingDB Entry DOI: 10.7270/Q29W0HMN
More data for this
Ligand-Target Pair