Found 34 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 |
|---|
Fibroblast growth factor receptor 1
(Homo sapiens (Human)) | BDBM50322535
(3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N...)Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4cccnn34)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C29H27F3N6O/c1-20-5-6-22(16-21(20)8-10-25-18-33-27-4-3-11-34-38(25)27)28(39)35-24-9-7-23(26(17-24)29(30,31)32)19-37-14-12-36(2)13-15-37/h3-7,9,11,16-18H,12-15,19H2,1-2H3,(H,35,39) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
PDB
Article
PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of human FGFR1 |
Bioorg Med Chem 26: 5479-5493 (2018)
Article DOI: 10.1016/j.bmc.2018.09.027
BindingDB Entry DOI: 10.7270/Q2319ZMZ |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50322535
(3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N...)Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4cccnn34)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C29H27F3N6O/c1-20-5-6-22(16-21(20)8-10-25-18-33-27-4-3-11-34-38(25)27)28(39)35-24-9-7-23(26(17-24)29(30,31)32)19-37-14-12-36(2)13-15-37/h3-7,9,11,16-18H,12-15,19H2,1-2H3,(H,35,39) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of human KDR |
Bioorg Med Chem 26: 5479-5493 (2018)
Article DOI: 10.1016/j.bmc.2018.09.027
BindingDB Entry DOI: 10.7270/Q2319ZMZ |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50469285
(CHEMBL4279567)Show SMILES CS(=O)(=O)Nc1ccccc1CN1c2ccccc2SC(CC1=O)c1ccc(cc1)C(=O)NCc1cccc(Cl)c1 Show InChI InChI=1S/C31H28ClN3O4S2/c1-41(38,39)34-26-10-3-2-8-24(26)20-35-27-11-4-5-12-28(27)40-29(18-30(35)36)22-13-15-23(16-14-22)31(37)33-19-21-7-6-9-25(32)17-21/h2-17,29,34H,18-20H2,1H3,(H,33,37) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant N-terminal His6-tagged human GSK-3beta expressed in Baculovirus infected SF9 cells using prephosphorylated-GS2 polype... |
Bioorg Med Chem 26: 5479-5493 (2018)
Article DOI: 10.1016/j.bmc.2018.09.027
BindingDB Entry DOI: 10.7270/Q2319ZMZ |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50469279
(CHEMBL4283032)Show SMILES Cc1ccc(CNC(=O)c2ccc(cc2)C2CC(=O)N(Cc3ccccc3[N+]([O-])=O)c3ccccc3S2)cc1 Show InChI InChI=1S/C31H27N3O4S/c1-21-10-12-22(13-11-21)19-32-31(36)24-16-14-23(15-17-24)29-18-30(35)33(27-8-4-5-9-28(27)39-29)20-25-6-2-3-7-26(25)34(37)38/h2-17,29H,18-20H2,1H3,(H,32,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant N-terminal His6-tagged human GSK-3beta expressed in Baculovirus infected SF9 cells using prephosphorylated-GS2 polype... |
Bioorg Med Chem 26: 5479-5493 (2018)
Article DOI: 10.1016/j.bmc.2018.09.027
BindingDB Entry DOI: 10.7270/Q2319ZMZ |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50469288
(CHEMBL4290418)Show SMILES [O-][N+](=O)c1ccccc1CN1c2ccccc2SC(CC1=O)c1ccc(cc1)C(=O)NCc1ccc(F)cc1 Show InChI InChI=1S/C30H24FN3O4S/c31-24-15-9-20(10-16-24)18-32-30(36)22-13-11-21(12-14-22)28-17-29(35)33(26-7-3-4-8-27(26)39-28)19-23-5-1-2-6-25(23)34(37)38/h1-16,28H,17-19H2,(H,32,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant N-terminal His6-tagged human GSK-3beta expressed in Baculovirus infected SF9 cells using prephosphorylated-GS2 polype... |
Bioorg Med Chem 26: 5479-5493 (2018)
Article DOI: 10.1016/j.bmc.2018.09.027
BindingDB Entry DOI: 10.7270/Q2319ZMZ |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50469283
(CHEMBL4284111)Show SMILES CS(=O)(=O)c1cccc(c1)N1c2ccccc2SC(CC1=O)c1ccc(cc1)C(=O)NCc1cccc(Cl)c1 Show InChI InChI=1S/C30H25ClN2O4S2/c1-39(36,37)25-9-5-8-24(17-25)33-26-10-2-3-11-27(26)38-28(18-29(33)34)21-12-14-22(15-13-21)30(35)32-19-20-6-4-7-23(31)16-20/h2-17,28H,18-19H2,1H3,(H,32,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant N-terminal His6-tagged human GSK-3beta expressed in Baculovirus infected SF9 cells using prephosphorylated-GS2 polype... |
Bioorg Med Chem 26: 5479-5493 (2018)
Article DOI: 10.1016/j.bmc.2018.09.027
BindingDB Entry DOI: 10.7270/Q2319ZMZ |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50469289
(CHEMBL4293500)Show SMILES [O-][N+](=O)c1ccccc1CN1c2ccccc2SC(CC1=O)c1ccc(cc1)C(=O)NCc1cccc(F)c1 Show InChI InChI=1S/C30H24FN3O4S/c31-24-8-5-6-20(16-24)18-32-30(36)22-14-12-21(13-15-22)28-17-29(35)33(26-10-3-4-11-27(26)39-28)19-23-7-1-2-9-25(23)34(37)38/h1-16,28H,17-19H2,(H,32,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant N-terminal His6-tagged human GSK-3beta expressed in Baculovirus infected SF9 cells using prephosphorylated-GS2 polype... |
Bioorg Med Chem 26: 5479-5493 (2018)
Article DOI: 10.1016/j.bmc.2018.09.027
BindingDB Entry DOI: 10.7270/Q2319ZMZ |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50469306
(CHEMBL4278749)Show SMILES Cc1ccc(cc1)C1CC(=O)N(Cc2ccccc2[N+]([O-])=O)c2ccccc2S1 Show InChI InChI=1S/C23H20N2O3S/c1-16-10-12-17(13-11-16)22-14-23(26)24(20-8-4-5-9-21(20)29-22)15-18-6-2-3-7-19(18)25(27)28/h2-13,22H,14-15H2,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant N-terminal His6-tagged human GSK-3beta expressed in Baculovirus infected SF9 cells using prephosphorylated-GS2 polype... |
Bioorg Med Chem 26: 5479-5493 (2018)
Article DOI: 10.1016/j.bmc.2018.09.027
BindingDB Entry DOI: 10.7270/Q2319ZMZ |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50469281
(CHEMBL4287006)Show SMILES [O-][N+](=O)c1ccccc1CN1c2ccccc2SC(CC1=O)c1ccc(cc1)C(=O)NCc1ccccc1F Show InChI InChI=1S/C30H24FN3O4S/c31-24-9-3-1-7-22(24)18-32-30(36)21-15-13-20(14-16-21)28-17-29(35)33(26-11-5-6-12-27(26)39-28)19-23-8-2-4-10-25(23)34(37)38/h1-16,28H,17-19H2,(H,32,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant N-terminal His6-tagged human GSK-3beta expressed in Baculovirus infected SF9 cells using prephosphorylated-GS2 polype... |
Bioorg Med Chem 26: 5479-5493 (2018)
Article DOI: 10.1016/j.bmc.2018.09.027
BindingDB Entry DOI: 10.7270/Q2319ZMZ |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50469290
(CHEMBL4287420)Show SMILES [O-][N+](=O)c1ccccc1CN1c2ccccc2SC(CC1=O)c1ccc(cc1)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C31H27N3O4S/c35-30-20-29(23-14-16-24(17-15-23)31(36)32-19-18-22-8-2-1-3-9-22)39-28-13-7-6-12-27(28)33(30)21-25-10-4-5-11-26(25)34(37)38/h1-17,29H,18-21H2,(H,32,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant N-terminal His6-tagged human GSK-3beta expressed in Baculovirus infected SF9 cells using prephosphorylated-GS2 polype... |
Bioorg Med Chem 26: 5479-5493 (2018)
Article DOI: 10.1016/j.bmc.2018.09.027
BindingDB Entry DOI: 10.7270/Q2319ZMZ |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50469295
(CHEMBL4282621)Show SMILES CCCCNC(=O)c1ccc(cc1)C1CC(=O)N(Cc2ccccc2[N+]([O-])=O)c2ccccc2S1 Show InChI InChI=1S/C27H27N3O4S/c1-2-3-16-28-27(32)20-14-12-19(13-15-20)25-17-26(31)29(23-10-6-7-11-24(23)35-25)18-21-8-4-5-9-22(21)30(33)34/h4-15,25H,2-3,16-18H2,1H3,(H,28,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant N-terminal His6-tagged human GSK-3beta expressed in Baculovirus infected SF9 cells using prephosphorylated-GS2 polype... |
Bioorg Med Chem 26: 5479-5493 (2018)
Article DOI: 10.1016/j.bmc.2018.09.027
BindingDB Entry DOI: 10.7270/Q2319ZMZ |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50469287
(CHEMBL4294290)Show SMILES [O-][N+](=O)c1ccccc1CN1c2ccccc2SC(CC1=O)c1ccc(cc1)C(=O)NCc1ccc(Br)cc1 Show InChI InChI=1S/C30H24BrN3O4S/c31-24-15-9-20(10-16-24)18-32-30(36)22-13-11-21(12-14-22)28-17-29(35)33(26-7-3-4-8-27(26)39-28)19-23-5-1-2-6-25(23)34(37)38/h1-16,28H,17-19H2,(H,32,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant N-terminal His6-tagged human GSK-3beta expressed in Baculovirus infected SF9 cells using prephosphorylated-GS2 polype... |
Bioorg Med Chem 26: 5479-5493 (2018)
Article DOI: 10.1016/j.bmc.2018.09.027
BindingDB Entry DOI: 10.7270/Q2319ZMZ |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50469299
(CHEMBL4277682)Show SMILES Clc1cccc(CNC(=O)c2ccc(cc2)C2CC(=O)Nc3ccccc3S2)c1 Show InChI InChI=1S/C23H19ClN2O2S/c24-18-5-3-4-15(12-18)14-25-23(28)17-10-8-16(9-11-17)21-13-22(27)26-19-6-1-2-7-20(19)29-21/h1-12,21H,13-14H2,(H,25,28)(H,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant N-terminal His6-tagged human GSK-3beta expressed in Baculovirus infected SF9 cells using prephosphorylated-GS2 polype... |
Bioorg Med Chem 26: 5479-5493 (2018)
Article DOI: 10.1016/j.bmc.2018.09.027
BindingDB Entry DOI: 10.7270/Q2319ZMZ |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50469300
(CHEMBL4287484)Show SMILES [O-][N+](=O)c1ccccc1CN1c2ccccc2SC(CC1=O)c1ccc(cc1)C(=O)NCc1ccco1 Show InChI InChI=1S/C28H23N3O5S/c32-27-16-26(19-11-13-20(14-12-19)28(33)29-17-22-7-5-15-36-22)37-25-10-4-3-9-24(25)30(27)18-21-6-1-2-8-23(21)31(34)35/h1-15,26H,16-18H2,(H,29,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant N-terminal His6-tagged human GSK-3beta expressed in Baculovirus infected SF9 cells using prephosphorylated-GS2 polype... |
Bioorg Med Chem 26: 5479-5493 (2018)
Article DOI: 10.1016/j.bmc.2018.09.027
BindingDB Entry DOI: 10.7270/Q2319ZMZ |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50469286
(CHEMBL4290903)Show SMILES COc1ccc(CNC(=O)c2ccc(cc2)C2CC(=O)N(Cc3ccccc3[N+]([O-])=O)c3ccccc3S2)cc1 Show InChI InChI=1S/C31H27N3O5S/c1-39-25-16-10-21(11-17-25)19-32-31(36)23-14-12-22(13-15-23)29-18-30(35)33(27-8-4-5-9-28(27)40-29)20-24-6-2-3-7-26(24)34(37)38/h2-17,29H,18-20H2,1H3,(H,32,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant N-terminal His6-tagged human GSK-3beta expressed in Baculovirus infected SF9 cells using prephosphorylated-GS2 polype... |
Bioorg Med Chem 26: 5479-5493 (2018)
Article DOI: 10.1016/j.bmc.2018.09.027
BindingDB Entry DOI: 10.7270/Q2319ZMZ |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50469277
(CHEMBL4281295)Show SMILES [O-][N+](=O)c1ccccc1CN1c2ccccc2SC(CC1=O)c1ccc(cc1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C30H25N3O4S/c34-29-18-28(22-14-16-23(17-15-22)30(35)31-19-21-8-2-1-3-9-21)38-27-13-7-6-12-26(27)32(29)20-24-10-4-5-11-25(24)33(36)37/h1-17,28H,18-20H2,(H,31,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant N-terminal His6-tagged human GSK-3beta expressed in Baculovirus infected SF9 cells using prephosphorylated-GS2 polype... |
Bioorg Med Chem 26: 5479-5493 (2018)
Article DOI: 10.1016/j.bmc.2018.09.027
BindingDB Entry DOI: 10.7270/Q2319ZMZ |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50469304
(CHEMBL4294291)Show SMILES [O-][N+](=O)c1ccccc1CN1c2ccccc2SC(CC1=O)c1ccc(cc1)C(=O)NC1CCCCC1 Show InChI InChI=1S/C29H29N3O4S/c33-28-18-27(20-14-16-21(17-15-20)29(34)30-23-9-2-1-3-10-23)37-26-13-7-6-12-25(26)31(28)19-22-8-4-5-11-24(22)32(35)36/h4-8,11-17,23,27H,1-3,9-10,18-19H2,(H,30,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant N-terminal His6-tagged human GSK-3beta expressed in Baculovirus infected SF9 cells using prephosphorylated-GS2 polype... |
Bioorg Med Chem 26: 5479-5493 (2018)
Article DOI: 10.1016/j.bmc.2018.09.027
BindingDB Entry DOI: 10.7270/Q2319ZMZ |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50469301
(CHEMBL4286404)Show SMILES [O-][N+](=O)c1ccccc1CN1c2ccccc2SC(CC1=O)c1ccc(cc1)C(=O)NCc1ccc(Cl)cc1 Show InChI InChI=1S/C30H24ClN3O4S/c31-24-15-9-20(10-16-24)18-32-30(36)22-13-11-21(12-14-22)28-17-29(35)33(26-7-3-4-8-27(26)39-28)19-23-5-1-2-6-25(23)34(37)38/h1-16,28H,17-19H2,(H,32,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant N-terminal His6-tagged human GSK-3beta expressed in Baculovirus infected SF9 cells using prephosphorylated-GS2 polype... |
Bioorg Med Chem 26: 5479-5493 (2018)
Article DOI: 10.1016/j.bmc.2018.09.027
BindingDB Entry DOI: 10.7270/Q2319ZMZ |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50469297
(CHEMBL4293899)Show SMILES COC(=O)c1ccc(cc1)C1CC(=O)N(Cc2ccccc2[N+]([O-])=O)c2ccccc2S1 Show InChI InChI=1S/C24H20N2O5S/c1-31-24(28)17-12-10-16(11-13-17)22-14-23(27)25(20-8-4-5-9-21(20)32-22)15-18-6-2-3-7-19(18)26(29)30/h2-13,22H,14-15H2,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant N-terminal His6-tagged human GSK-3beta expressed in Baculovirus infected SF9 cells using prephosphorylated-GS2 polype... |
Bioorg Med Chem 26: 5479-5493 (2018)
Article DOI: 10.1016/j.bmc.2018.09.027
BindingDB Entry DOI: 10.7270/Q2319ZMZ |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50469280
(CHEMBL4289675)Show SMILES [O-][N+](=O)c1ccccc1CN1c2ccccc2SC(CC1=O)c1ccc(cc1)C(=O)Nc1ccccn1 Show InChI InChI=1S/C28H22N4O4S/c33-27-17-25(19-12-14-20(15-13-19)28(34)30-26-11-5-6-16-29-26)37-24-10-4-3-9-23(24)31(27)18-21-7-1-2-8-22(21)32(35)36/h1-16,25H,17-18H2,(H,29,30,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant N-terminal His6-tagged human GSK-3beta expressed in Baculovirus infected SF9 cells using prephosphorylated-GS2 polype... |
Bioorg Med Chem 26: 5479-5493 (2018)
Article DOI: 10.1016/j.bmc.2018.09.027
BindingDB Entry DOI: 10.7270/Q2319ZMZ |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50469302
(CHEMBL4279766)Show SMILES [O-][N+](=O)c1ccccc1CN1c2ccccc2SC(CC1=O)c1ccc(cc1)C(=O)NCc1cccc(Cl)c1 Show InChI InChI=1S/C30H24ClN3O4S/c31-24-8-5-6-20(16-24)18-32-30(36)22-14-12-21(13-15-22)28-17-29(35)33(26-10-3-4-11-27(26)39-28)19-23-7-1-2-9-25(23)34(37)38/h1-16,28H,17-19H2,(H,32,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant N-terminal His6-tagged human GSK-3beta expressed in Baculovirus infected SF9 cells using prephosphorylated-GS2 polype... |
Bioorg Med Chem 26: 5479-5493 (2018)
Article DOI: 10.1016/j.bmc.2018.09.027
BindingDB Entry DOI: 10.7270/Q2319ZMZ |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50469278
(CHEMBL4289419)Show SMILES [O-][N+](=O)c1ccccc1CN1c2ccccc2SC(CC1=O)c1ccc(cc1)C#N Show InChI InChI=1S/C23H17N3O3S/c24-14-16-9-11-17(12-10-16)22-13-23(27)25(20-7-3-4-8-21(20)30-22)15-18-5-1-2-6-19(18)26(28)29/h1-12,22H,13,15H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant N-terminal His6-tagged human GSK-3beta expressed in Baculovirus infected SF9 cells using prephosphorylated-GS2 polype... |
Bioorg Med Chem 26: 5479-5493 (2018)
Article DOI: 10.1016/j.bmc.2018.09.027
BindingDB Entry DOI: 10.7270/Q2319ZMZ |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50469282
(CHEMBL4287074)Show SMILES CC(C)(C)NC(=O)c1ccc(cc1)C1CC(=O)N(Cc2ccccc2[N+]([O-])=O)c2ccccc2S1 Show InChI InChI=1S/C27H27N3O4S/c1-27(2,3)28-26(32)19-14-12-18(13-15-19)24-16-25(31)29(22-10-6-7-11-23(22)35-24)17-20-8-4-5-9-21(20)30(33)34/h4-15,24H,16-17H2,1-3H3,(H,28,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant N-terminal His6-tagged human GSK-3beta expressed in Baculovirus infected SF9 cells using prephosphorylated-GS2 polype... |
Bioorg Med Chem 26: 5479-5493 (2018)
Article DOI: 10.1016/j.bmc.2018.09.027
BindingDB Entry DOI: 10.7270/Q2319ZMZ |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50469292
(CHEMBL4277428)Show SMILES [O-][N+](=O)c1ccccc1CN1c2ccccc2SC(CC1=O)c1ccc(cc1)C(=O)NN1CCCCC1 Show InChI InChI=1S/C28H28N4O4S/c33-27-18-26(20-12-14-21(15-13-20)28(34)29-30-16-6-1-7-17-30)37-25-11-5-4-10-24(25)31(27)19-22-8-2-3-9-23(22)32(35)36/h2-5,8-15,26H,1,6-7,16-19H2,(H,29,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant N-terminal His6-tagged human GSK-3beta expressed in Baculovirus infected SF9 cells using prephosphorylated-GS2 polype... |
Bioorg Med Chem 26: 5479-5493 (2018)
Article DOI: 10.1016/j.bmc.2018.09.027
BindingDB Entry DOI: 10.7270/Q2319ZMZ |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50469298
(CHEMBL4277269)Show SMILES [O-][N+](=O)c1ccccc1CN1c2ccccc2SC(CC1=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C28H22N2O3S/c31-28-18-27(22-16-14-21(15-17-22)20-8-2-1-3-9-20)34-26-13-7-6-12-25(26)29(28)19-23-10-4-5-11-24(23)30(32)33/h1-17,27H,18-19H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant N-terminal His6-tagged human GSK-3beta expressed in Baculovirus infected SF9 cells using prephosphorylated-GS2 polype... |
Bioorg Med Chem 26: 5479-5493 (2018)
Article DOI: 10.1016/j.bmc.2018.09.027
BindingDB Entry DOI: 10.7270/Q2319ZMZ |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50469296
(CHEMBL4285999)Show SMILES COC(=O)c1cccc(c1)C1CC(=O)N(Cc2ccccc2[N+]([O-])=O)c2ccccc2S1 Show InChI InChI=1S/C24H20N2O5S/c1-31-24(28)17-9-6-8-16(13-17)22-14-23(27)25(20-11-4-5-12-21(20)32-22)15-18-7-2-3-10-19(18)26(29)30/h2-13,22H,14-15H2,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant N-terminal His6-tagged human GSK-3beta expressed in Baculovirus infected SF9 cells using prephosphorylated-GS2 polype... |
Bioorg Med Chem 26: 5479-5493 (2018)
Article DOI: 10.1016/j.bmc.2018.09.027
BindingDB Entry DOI: 10.7270/Q2319ZMZ |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50428461
(CHEMBL2334797)Show SMILES [O-][N+](=O)c1ccccc1CN1c2ccccc2SC(CC1=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H17ClN2O3S/c23-17-11-9-15(10-12-17)21-13-22(26)24(19-7-3-4-8-20(19)29-21)14-16-5-1-2-6-18(16)25(27)28/h1-12,21H,13-14H2 | 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 | 7.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant N-terminal His6-tagged human GSK-3beta expressed in Baculovirus infected SF9 cells using prephosphorylated-GS2 polype... |
Bioorg Med Chem 26: 5479-5493 (2018)
Article DOI: 10.1016/j.bmc.2018.09.027
BindingDB Entry DOI: 10.7270/Q2319ZMZ |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50469303
(CHEMBL4280203)Show SMILES [O-][N+](=O)c1ccccc1CN1c2ccccc2SC(CC1=O)c1ccc(cc1)C(=O)NCc1ccccn1 Show InChI InChI=1S/C29H24N4O4S/c34-28-17-27(20-12-14-21(15-13-20)29(35)31-18-23-8-5-6-16-30-23)38-26-11-4-3-10-25(26)32(28)19-22-7-1-2-9-24(22)33(36)37/h1-16,27H,17-19H2,(H,31,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant N-terminal His6-tagged human GSK-3beta expressed in Baculovirus infected SF9 cells using prephosphorylated-GS2 polype... |
Bioorg Med Chem 26: 5479-5493 (2018)
Article DOI: 10.1016/j.bmc.2018.09.027
BindingDB Entry DOI: 10.7270/Q2319ZMZ |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50469305
(CHEMBL4290490)Show SMILES COC(=O)c1ccccc1C1CC(=O)N(Cc2ccccc2[N+]([O-])=O)c2ccccc2S1 Show InChI InChI=1S/C24H20N2O5S/c1-31-24(28)18-10-4-3-9-17(18)22-14-23(27)25(20-12-6-7-13-21(20)32-22)15-16-8-2-5-11-19(16)26(29)30/h2-13,22H,14-15H2,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant N-terminal His6-tagged human GSK-3beta expressed in Baculovirus infected SF9 cells using prephosphorylated-GS2 polype... |
Bioorg Med Chem 26: 5479-5493 (2018)
Article DOI: 10.1016/j.bmc.2018.09.027
BindingDB Entry DOI: 10.7270/Q2319ZMZ |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50428462
(CHEMBL2334796)Show SMILES [O-][N+](=O)c1ccccc1CN1c2ccccc2SC(CC1=O)c1ccc(F)cc1 Show InChI InChI=1S/C22H17FN2O3S/c23-17-11-9-15(10-12-17)21-13-22(26)24(19-7-3-4-8-20(19)29-21)14-16-5-1-2-6-18(16)25(27)28/h1-12,21H,13-14H2 | 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 | 8.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant N-terminal His6-tagged human GSK-3beta expressed in Baculovirus infected SF9 cells using prephosphorylated-GS2 polype... |
Bioorg Med Chem 26: 5479-5493 (2018)
Article DOI: 10.1016/j.bmc.2018.09.027
BindingDB Entry DOI: 10.7270/Q2319ZMZ |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50469294
(CHEMBL4279152)Show SMILES CCN(CC)C(=O)c1ccc(cc1)C1CC(=O)N(Cc2ccccc2[N+]([O-])=O)c2ccccc2S1 Show InChI InChI=1S/C27H27N3O4S/c1-3-28(4-2)27(32)20-15-13-19(14-16-20)25-17-26(31)29(23-11-7-8-12-24(23)35-25)18-21-9-5-6-10-22(21)30(33)34/h5-16,25H,3-4,17-18H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant N-terminal His6-tagged human GSK-3beta expressed in Baculovirus infected SF9 cells using prephosphorylated-GS2 polype... |
Bioorg Med Chem 26: 5479-5493 (2018)
Article DOI: 10.1016/j.bmc.2018.09.027
BindingDB Entry DOI: 10.7270/Q2319ZMZ |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50469284
(CHEMBL4294709)Show SMILES NC(=O)c1ccccc1CN1c2ccccc2SC(CC1=O)c1ccc(cc1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C31H27N3O3S/c32-30(36)25-11-5-4-10-24(25)20-34-26-12-6-7-13-27(26)38-28(18-29(34)35)22-14-16-23(17-15-22)31(37)33-19-21-8-2-1-3-9-21/h1-17,28H,18-20H2,(H2,32,36)(H,33,37) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant N-terminal His6-tagged human GSK-3beta expressed in Baculovirus infected SF9 cells using prephosphorylated-GS2 polype... |
Bioorg Med Chem 26: 5479-5493 (2018)
Article DOI: 10.1016/j.bmc.2018.09.027
BindingDB Entry DOI: 10.7270/Q2319ZMZ |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50469293
(CHEMBL4283719)Show SMILES [O-][N+](=O)c1ccccc1CN1c2ccccc2SC(CC1=O)c1ccc(cc1)C(=O)NC1CC1 Show InChI InChI=1S/C26H23N3O4S/c30-25-15-24(17-9-11-18(12-10-17)26(31)27-20-13-14-20)34-23-8-4-3-7-22(23)28(25)16-19-5-1-2-6-21(19)29(32)33/h1-12,20,24H,13-16H2,(H,27,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant N-terminal His6-tagged human GSK-3beta expressed in Baculovirus infected SF9 cells using prephosphorylated-GS2 polype... |
Bioorg Med Chem 26: 5479-5493 (2018)
Article DOI: 10.1016/j.bmc.2018.09.027
BindingDB Entry DOI: 10.7270/Q2319ZMZ |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50469291
(CHEMBL4284711)Show SMILES CN1CCN(CC1)NC(=O)c1ccc(cc1)C1CC(=O)N(Cc2ccccc2[N+]([O-])=O)c2ccccc2S1 Show InChI InChI=1S/C28H29N5O4S/c1-30-14-16-31(17-15-30)29-28(35)21-12-10-20(11-13-21)26-18-27(34)32(24-8-4-5-9-25(24)38-26)19-22-6-2-3-7-23(22)33(36)37/h2-13,26H,14-19H2,1H3,(H,29,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant N-terminal His6-tagged human GSK-3beta expressed in Baculovirus infected SF9 cells using prephosphorylated-GS2 polype... |
Bioorg Med Chem 26: 5479-5493 (2018)
Article DOI: 10.1016/j.bmc.2018.09.027
BindingDB Entry DOI: 10.7270/Q2319ZMZ |
More data for this
Ligand-Target Pair | |
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