Found 12 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50303035
(4-(4-(5-methylthiophen-2-yl)pyrimidin-2-ylamino)be...)Show InChI InChI=1S/C15H14N4O2S2/c1-10-2-7-14(22-10)13-8-9-17-15(19-13)18-11-3-5-12(6-4-11)23(16,20)21/h2-9H,1H3,(H2,16,20,21)(H,17,18,19) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of GSK3beta |
J Med Chem 52: 6962-5 (2009)
Article DOI: 10.1021/jm9014197
BindingDB Entry DOI: 10.7270/Q2HM58JV |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50303039
(4-(4-(naphthalen-2-yl)pyrimidin-2-ylamino)benzenes...)Show SMILES NS(=O)(=O)c1ccc(Nc2nccc(n2)-c2ccc3ccccc3c2)cc1 Show InChI InChI=1S/C20H16N4O2S/c21-27(25,26)18-9-7-17(8-10-18)23-20-22-12-11-19(24-20)16-6-5-14-3-1-2-4-15(14)13-16/h1-13H,(H2,21,25,26)(H,22,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 310 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of GSK3beta |
J Med Chem 52: 6962-5 (2009)
Article DOI: 10.1021/jm9014197
BindingDB Entry DOI: 10.7270/Q2HM58JV |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50303036
(CHEMBL569986 | N-((1-(4-(naphthalen-2-yl)pyrimidin...)Show SMILES CC(=O)NCC1CCN(CC1)c1nccc(n1)-c1ccc2ccccc2c1 Show InChI InChI=1S/C22H24N4O/c1-16(27)24-15-17-9-12-26(13-10-17)22-23-11-8-21(25-22)20-7-6-18-4-2-3-5-19(18)14-20/h2-8,11,14,17H,9-10,12-13,15H2,1H3,(H,24,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of GSK3beta |
J Med Chem 52: 6962-5 (2009)
Article DOI: 10.1021/jm9014197
BindingDB Entry DOI: 10.7270/Q2HM58JV |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50303038
(1-(4-(naphthalen-2-yl)pyrimidin-2-yl)piperidin-4-a...)Show InChI InChI=1S/C19H20N4/c20-17-8-11-23(12-9-17)19-21-10-7-18(22-19)16-6-5-14-3-1-2-4-15(14)13-16/h1-7,10,13,17H,8-9,11-12,20H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of GSK3beta |
J Med Chem 52: 6962-5 (2009)
Article DOI: 10.1021/jm9014197
BindingDB Entry DOI: 10.7270/Q2HM58JV |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50303040
(4-(methyl(4-(5-methylthiophen-2-yl)pyrimidin-2-yl)...)Show SMILES CN(c1ccc(cc1)S(N)(=O)=O)c1nccc(n1)-c1ccc(C)s1 Show InChI InChI=1S/C16H16N4O2S2/c1-11-3-8-15(23-11)14-9-10-18-16(19-14)20(2)12-4-6-13(7-5-12)24(17,21)22/h3-10H,1-2H3,(H2,17,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of GSK3beta |
J Med Chem 52: 6962-5 (2009)
Article DOI: 10.1021/jm9014197
BindingDB Entry DOI: 10.7270/Q2HM58JV |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50303037
((1-(4-(naphthalen-2-yl)pyrimidin-2-yl)piperidin-4-...)Show InChI InChI=1S/C20H22N4/c21-14-15-8-11-24(12-9-15)20-22-10-7-19(23-20)18-6-5-16-3-1-2-4-17(16)13-18/h1-7,10,13,15H,8-9,11-12,14,21H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of GSK3beta |
J Med Chem 52: 6962-5 (2009)
Article DOI: 10.1021/jm9014197
BindingDB Entry DOI: 10.7270/Q2HM58JV |
More data for this
Ligand-Target Pair | |
Dickkopf-related protein 1
(Homo sapiens (Human)) | BDBM50303040
(4-(methyl(4-(5-methylthiophen-2-yl)pyrimidin-2-yl)...)Show SMILES CN(c1ccc(cc1)S(N)(=O)=O)c1nccc(n1)-c1ccc(C)s1 Show InChI InChI=1S/C16H16N4O2S2/c1-11-3-8-15(23-11)14-9-10-18-16(19-14)20(2)12-4-6-13(7-5-12)24(17,21)22/h3-10H,1-2H3,(H2,17,21,22) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 9.80E+3 | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Dkk1-mediated Wnt/beta-catenin signaling in osteosasrcoma cells assessed as potentiation of TCF-luciferase response |
J Med Chem 52: 6962-5 (2009)
Article DOI: 10.1021/jm9014197
BindingDB Entry DOI: 10.7270/Q2HM58JV |
More data for this
Ligand-Target Pair | |
Dickkopf-related protein 1
(Homo sapiens (Human)) | BDBM50303035
(4-(4-(5-methylthiophen-2-yl)pyrimidin-2-ylamino)be...)Show InChI InChI=1S/C15H14N4O2S2/c1-10-2-7-14(22-10)13-8-9-17-15(19-13)18-11-3-5-12(6-4-11)23(16,20)21/h2-9H,1H3,(H2,16,20,21)(H,17,18,19) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 7.80E+3 | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Dkk1-mediated Wnt/beta-catenin signaling in osteosasrcoma cells assessed as potentiation of TCF-luciferase response |
J Med Chem 52: 6962-5 (2009)
Article DOI: 10.1021/jm9014197
BindingDB Entry DOI: 10.7270/Q2HM58JV |
More data for this
Ligand-Target Pair | |
Dickkopf-related protein 1
(Homo sapiens (Human)) | BDBM50303039
(4-(4-(naphthalen-2-yl)pyrimidin-2-ylamino)benzenes...)Show SMILES NS(=O)(=O)c1ccc(Nc2nccc(n2)-c2ccc3ccccc3c2)cc1 Show InChI InChI=1S/C20H16N4O2S/c21-27(25,26)18-9-7-17(8-10-18)23-20-22-12-11-19(24-20)16-6-5-14-3-1-2-4-15(14)13-16/h1-13H,(H2,21,25,26)(H,22,23,24) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Dkk1-mediated Wnt/beta-catenin signaling in osteosasrcoma cells assessed as potentiation of TCF-luciferase response |
J Med Chem 52: 6962-5 (2009)
Article DOI: 10.1021/jm9014197
BindingDB Entry DOI: 10.7270/Q2HM58JV |
More data for this
Ligand-Target Pair | |
Dickkopf-related protein 1
(Homo sapiens (Human)) | BDBM50303036
(CHEMBL569986 | N-((1-(4-(naphthalen-2-yl)pyrimidin...)Show SMILES CC(=O)NCC1CCN(CC1)c1nccc(n1)-c1ccc2ccccc2c1 Show InChI InChI=1S/C22H24N4O/c1-16(27)24-15-17-9-12-26(13-10-17)22-23-11-8-21(25-22)20-7-6-18-4-2-3-5-19(18)14-20/h2-8,11,14,17H,9-10,12-13,15H2,1H3,(H,24,27) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Dkk1-mediated Wnt/beta-catenin signaling in osteosasrcoma cells assessed as potentiation of TCF-luciferase response |
J Med Chem 52: 6962-5 (2009)
Article DOI: 10.1021/jm9014197
BindingDB Entry DOI: 10.7270/Q2HM58JV |
More data for this
Ligand-Target Pair | |
Dickkopf-related protein 1
(Homo sapiens (Human)) | BDBM50303037
((1-(4-(naphthalen-2-yl)pyrimidin-2-yl)piperidin-4-...)Show InChI InChI=1S/C20H22N4/c21-14-15-8-11-24(12-9-15)20-22-10-7-19(23-20)18-6-5-16-3-1-2-4-17(16)13-18/h1-7,10,13,15H,8-9,11-12,14,21H2 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 630 | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Dkk1-mediated Wnt/beta-catenin signaling in osteosasrcoma cells assessed as potentiation of TCF-luciferase response |
J Med Chem 52: 6962-5 (2009)
Article DOI: 10.1021/jm9014197
BindingDB Entry DOI: 10.7270/Q2HM58JV |
More data for this
Ligand-Target Pair | |
Dickkopf-related protein 1
(Homo sapiens (Human)) | BDBM50303038
(1-(4-(naphthalen-2-yl)pyrimidin-2-yl)piperidin-4-a...)Show InChI InChI=1S/C19H20N4/c20-17-8-11-23(12-9-17)19-21-10-7-18(22-19)16-6-5-14-3-1-2-4-15(14)13-16/h1-7,10,13,17H,8-9,11-12,20H2 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Dkk1-mediated Wnt/beta-catenin signaling in osteosasrcoma cells assessed as potentiation of TCF-luciferase response |
J Med Chem 52: 6962-5 (2009)
Article DOI: 10.1021/jm9014197
BindingDB Entry DOI: 10.7270/Q2HM58JV |
More data for this
Ligand-Target Pair | |
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