Found 23 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 |
|---|
Protein kinase C epsilon type
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal His-tagged recombinant PKC-epsilon (unknown origin) by HTRF assay |
Bioorg Med Chem 23: 1179-88 (2015)
Article DOI: 10.1016/j.bmc.2014.12.026
BindingDB Entry DOI: 10.7270/Q23X88F1 |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal His-tagged recombinant IKK2 (unknown origin) by HTRF assay |
Bioorg Med Chem 23: 1179-88 (2015)
Article DOI: 10.1016/j.bmc.2014.12.026
BindingDB Entry DOI: 10.7270/Q23X88F1 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal His-tagged recombinant JAK2 (unknown origin) by HTRF assay |
Bioorg Med Chem 23: 1179-88 (2015)
Article DOI: 10.1016/j.bmc.2014.12.026
BindingDB Entry DOI: 10.7270/Q23X88F1 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description
Inhibition of BRAF (unknown origin) by HTRF assay |
Bioorg Med Chem 23: 1179-88 (2015)
Article DOI: 10.1016/j.bmc.2014.12.026
BindingDB Entry DOI: 10.7270/Q23X88F1 |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50103377
(CHEMBL3398202)Show SMILES CC(C)n1cc(C2=C(C(=O)NC2=O)c2nnc3ccccn23)c2ccccc12 |t:6| Show InChI InChI=1S/C21H17N5O2/c1-12(2)26-11-14(13-7-3-4-8-15(13)26)17-18(21(28)22-20(17)27)19-24-23-16-9-5-6-10-25(16)19/h3-12H,1-2H3,(H,22,27,28) | 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 | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant GST-tagged GSK-3beta (unknown origin) expressed in Escherichia coli strain BL21-Codon Plus (DE3) using Ser/Thr 9 peptide su... |
Bioorg Med Chem 23: 1179-88 (2015)
Article DOI: 10.1016/j.bmc.2014.12.026
BindingDB Entry DOI: 10.7270/Q23X88F1 |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant N-terminal His-tagged AKT1 (unknown origin) expressed in Escherichia coli strain BL21-Codon Plus (DE3) using Ser/Thr 6 pept... |
Bioorg Med Chem 23: 1179-88 (2015)
Article DOI: 10.1016/j.bmc.2014.12.026
BindingDB Entry DOI: 10.7270/Q23X88F1 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase 17B
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description
Inhibition of Drak2 (unknown origin) by ADP-GLO kinase assay |
Bioorg Med Chem 23: 1179-88 (2015)
Article DOI: 10.1016/j.bmc.2014.12.026
BindingDB Entry DOI: 10.7270/Q23X88F1 |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50103376
(CHEMBL3398203)Show SMILES O=C1NC(=O)C(=C1c1cn(CCCn2ccnc2)c2ccccc12)c1nnc2ccccn12 |c:5| Show InChI InChI=1S/C24H19N7O2/c32-23-20(21(24(33)26-23)22-28-27-19-8-3-4-12-31(19)22)17-14-30(18-7-2-1-6-16(17)18)11-5-10-29-13-9-25-15-29/h1-4,6-9,12-15H,5,10-11H2,(H,26,32,33) | 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 | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant GST-tagged GSK-3beta (unknown origin) expressed in Escherichia coli strain BL21-Codon Plus (DE3) using Ser/Thr 9 peptide su... |
Bioorg Med Chem 23: 1179-88 (2015)
Article DOI: 10.1016/j.bmc.2014.12.026
BindingDB Entry DOI: 10.7270/Q23X88F1 |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant GST-tagged GSK-3beta (unknown origin) expressed in Escherichia coli strain BL21-Codon Plus (DE3) using Ser/Thr 9 peptide su... |
Bioorg Med Chem 23: 1179-88 (2015)
Article DOI: 10.1016/j.bmc.2014.12.026
BindingDB Entry DOI: 10.7270/Q23X88F1 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50103382
(CHEMBL3398197)Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2nnc3ccccn23)c2cc(Br)ccc12 |t:4| Show InChI InChI=1S/C19H12BrN5O2/c1-24-9-12(11-8-10(20)5-6-13(11)24)15-16(19(27)21-18(15)26)17-23-22-14-4-2-3-7-25(14)17/h2-9H,1H3,(H,21,26,27) | 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 | 64 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant GST-tagged GSK-3beta (unknown origin) expressed in Escherichia coli strain BL21-Codon Plus (DE3) using Ser/Thr 9 peptide su... |
Bioorg Med Chem 23: 1179-88 (2015)
Article DOI: 10.1016/j.bmc.2014.12.026
BindingDB Entry DOI: 10.7270/Q23X88F1 |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50103378
(CHEMBL3398201)Show SMILES CCCCn1cc(C2=C(C(=O)NC2=O)c2nnc3ccccn23)c2ccccc12 |t:7| Show InChI InChI=1S/C22H19N5O2/c1-2-3-11-26-13-15(14-8-4-5-9-16(14)26)18-19(22(29)23-21(18)28)20-25-24-17-10-6-7-12-27(17)20/h4-10,12-13H,2-3,11H2,1H3,(H,23,28,29) | 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 | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant GST-tagged GSK-3beta (unknown origin) expressed in Escherichia coli strain BL21-Codon Plus (DE3) using Ser/Thr 9 peptide su... |
Bioorg Med Chem 23: 1179-88 (2015)
Article DOI: 10.1016/j.bmc.2014.12.026
BindingDB Entry DOI: 10.7270/Q23X88F1 |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50103384
(CHEMBL3398195)Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2nnc3ccccn23)c2cc(Cl)ccc12 |t:4| Show InChI InChI=1S/C19H12ClN5O2/c1-24-9-12(11-8-10(20)5-6-13(11)24)15-16(19(27)21-18(15)26)17-23-22-14-4-2-3-7-25(14)17/h2-9H,1H3,(H,21,26,27) | 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 | 74 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant GST-tagged GSK-3beta (unknown origin) expressed in Escherichia coli strain BL21-Codon Plus (DE3) using Ser/Thr 9 peptide su... |
Bioorg Med Chem 23: 1179-88 (2015)
Article DOI: 10.1016/j.bmc.2014.12.026
BindingDB Entry DOI: 10.7270/Q23X88F1 |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50103379
(CHEMBL3398200)Show SMILES C=CCn1cc(C2=C(C(=O)NC2=O)c2nnc3ccccn23)c2ccccc12 |t:6| Show InChI InChI=1S/C21H15N5O2/c1-2-10-25-12-14(13-7-3-4-8-15(13)25)17-18(21(28)22-20(17)27)19-24-23-16-9-5-6-11-26(16)19/h2-9,11-12H,1,10H2,(H,22,27,28) | 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 | 74 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant GST-tagged GSK-3beta (unknown origin) expressed in Escherichia coli strain BL21-Codon Plus (DE3) using Ser/Thr 9 peptide su... |
Bioorg Med Chem 23: 1179-88 (2015)
Article DOI: 10.1016/j.bmc.2014.12.026
BindingDB Entry DOI: 10.7270/Q23X88F1 |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50103387
(CHEMBL3398192)Show SMILES Cc1cccc2c(cn(C)c12)C1=C(C(=O)NC1=O)c1nnc2ccccn12 |t:13| Show InChI InChI=1S/C20H15N5O2/c1-11-6-5-7-12-13(10-24(2)17(11)12)15-16(20(27)21-19(15)26)18-23-22-14-8-3-4-9-25(14)18/h3-10H,1-2H3,(H,21,26,27) | 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 | 105 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant GST-tagged GSK-3beta (unknown origin) expressed in Escherichia coli strain BL21-Codon Plus (DE3) using Ser/Thr 9 peptide su... |
Bioorg Med Chem 23: 1179-88 (2015)
Article DOI: 10.1016/j.bmc.2014.12.026
BindingDB Entry DOI: 10.7270/Q23X88F1 |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50103375
(CHEMBL3398204)Show SMILES OCCCn1cc(C2=C(C(=O)NC2=O)c2nnc3ccccn23)c2ccccc12 |t:7| Show InChI InChI=1S/C21H17N5O3/c27-11-5-9-25-12-14(13-6-1-2-7-15(13)25)17-18(21(29)22-20(17)28)19-24-23-16-8-3-4-10-26(16)19/h1-4,6-8,10,12,27H,5,9,11H2,(H,22,28,29) | 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 | 121 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant GST-tagged GSK-3beta (unknown origin) expressed in Escherichia coli strain BL21-Codon Plus (DE3) using Ser/Thr 9 peptide su... |
Bioorg Med Chem 23: 1179-88 (2015)
Article DOI: 10.1016/j.bmc.2014.12.026
BindingDB Entry DOI: 10.7270/Q23X88F1 |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50103388
(CHEMBL3398191)Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2nnc3ccccn23)c2ccccc12 |t:4| Show InChI InChI=1S/C19H13N5O2/c1-23-10-12(11-6-2-3-7-13(11)23)15-16(19(26)20-18(15)25)17-22-21-14-8-4-5-9-24(14)17/h2-10H,1H3,(H,20,25,26) | 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 | 154 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant GST-tagged GSK-3beta (unknown origin) expressed in Escherichia coli strain BL21-Codon Plus (DE3) using Ser/Thr 9 peptide su... |
Bioorg Med Chem 23: 1179-88 (2015)
Article DOI: 10.1016/j.bmc.2014.12.026
BindingDB Entry DOI: 10.7270/Q23X88F1 |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50103383
(CHEMBL3398196)Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2nnc3ccccn23)c2ccc(Cl)cc12 |t:4| Show InChI InChI=1S/C19H12ClN5O2/c1-24-9-12(11-6-5-10(20)8-13(11)24)15-16(19(27)21-18(15)26)17-23-22-14-4-2-3-7-25(14)17/h2-9H,1H3,(H,21,26,27) | 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 | 159 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant GST-tagged GSK-3beta (unknown origin) expressed in Escherichia coli strain BL21-Codon Plus (DE3) using Ser/Thr 9 peptide su... |
Bioorg Med Chem 23: 1179-88 (2015)
Article DOI: 10.1016/j.bmc.2014.12.026
BindingDB Entry DOI: 10.7270/Q23X88F1 |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50103386
(CHEMBL3398193)Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2nnc3ccccn23)c2cc(F)ccc12 |t:4| Show InChI InChI=1S/C19H12FN5O2/c1-24-9-12(11-8-10(20)5-6-13(11)24)15-16(19(27)21-18(15)26)17-23-22-14-4-2-3-7-25(14)17/h2-9H,1H3,(H,21,26,27) | 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 | 188 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant GST-tagged GSK-3beta (unknown origin) expressed in Escherichia coli strain BL21-Codon Plus (DE3) using Ser/Thr 9 peptide su... |
Bioorg Med Chem 23: 1179-88 (2015)
Article DOI: 10.1016/j.bmc.2014.12.026
BindingDB Entry DOI: 10.7270/Q23X88F1 |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50103374
(CHEMBL3398205)Show SMILES O=C1NC(=O)C(=C1c1cn(CCCN2CCOCC2)c2ccccc12)c1nnc2ccccn12 |c:5| Show InChI InChI=1S/C25H24N6O3/c32-24-21(22(25(33)26-24)23-28-27-20-8-3-4-11-31(20)23)18-16-30(19-7-2-1-6-17(18)19)10-5-9-29-12-14-34-15-13-29/h1-4,6-8,11,16H,5,9-10,12-15H2,(H,26,32,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant GST-tagged GSK-3beta (unknown origin) expressed in Escherichia coli strain BL21-Codon Plus (DE3) using Ser/Thr 9 peptide su... |
Bioorg Med Chem 23: 1179-88 (2015)
Article DOI: 10.1016/j.bmc.2014.12.026
BindingDB Entry DOI: 10.7270/Q23X88F1 |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50103385
(CHEMBL3398194)Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2nnc3ccccn23)c2ccc(F)cc12 |t:4| Show InChI InChI=1S/C19H12FN5O2/c1-24-9-12(11-6-5-10(20)8-13(11)24)15-16(19(27)21-18(15)26)17-23-22-14-4-2-3-7-25(14)17/h2-9H,1H3,(H,21,26,27) | 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 | 204 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant GST-tagged GSK-3beta (unknown origin) expressed in Escherichia coli strain BL21-Codon Plus (DE3) using Ser/Thr 9 peptide su... |
Bioorg Med Chem 23: 1179-88 (2015)
Article DOI: 10.1016/j.bmc.2014.12.026
BindingDB Entry DOI: 10.7270/Q23X88F1 |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50103381
(CHEMBL3398198)Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2nnc3ccccn23)c2ccc(Br)cc12 |t:4| Show InChI InChI=1S/C19H12BrN5O2/c1-24-9-12(11-6-5-10(20)8-13(11)24)15-16(19(27)21-18(15)26)17-23-22-14-4-2-3-7-25(14)17/h2-9H,1H3,(H,21,26,27) | 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 | 327 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant GST-tagged GSK-3beta (unknown origin) expressed in Escherichia coli strain BL21-Codon Plus (DE3) using Ser/Thr 9 peptide su... |
Bioorg Med Chem 23: 1179-88 (2015)
Article DOI: 10.1016/j.bmc.2014.12.026
BindingDB Entry DOI: 10.7270/Q23X88F1 |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50103389
(CHEMBL3398190)Show SMILES O=C1NC(=O)C(=C1c1c[nH]c2ccccc12)c1nnc2ccccn12 |c:5| Show InChI InChI=1S/C18H11N5O2/c24-17-14(11-9-19-12-6-2-1-5-10(11)12)15(18(25)20-17)16-22-21-13-7-3-4-8-23(13)16/h1-9,19H,(H,20,24,25) | 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 | 477 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant GST-tagged GSK-3beta (unknown origin) expressed in Escherichia coli strain BL21-Codon Plus (DE3) using Ser/Thr 9 peptide su... |
Bioorg Med Chem 23: 1179-88 (2015)
Article DOI: 10.1016/j.bmc.2014.12.026
BindingDB Entry DOI: 10.7270/Q23X88F1 |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50103380
(CHEMBL3398199)Show SMILES COc1ccc2n(C)cc(C3=C(C(=O)NC3=O)c3nnc4ccccn34)c2c1 |t:10| Show InChI InChI=1S/C20H15N5O3/c1-24-10-13(12-9-11(28-2)6-7-14(12)24)16-17(20(27)21-19(16)26)18-23-22-15-5-3-4-8-25(15)18/h3-10H,1-2H3,(H,21,26,27) | 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 | 942 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant GST-tagged GSK-3beta (unknown origin) expressed in Escherichia coli strain BL21-Codon Plus (DE3) using Ser/Thr 9 peptide su... |
Bioorg Med Chem 23: 1179-88 (2015)
Article DOI: 10.1016/j.bmc.2014.12.026
BindingDB Entry DOI: 10.7270/Q23X88F1 |
More data for this
Ligand-Target Pair | |
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