Found 362 hits with Last Name = 'josselin' and Initial = 'b' 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 |
|---|
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50523281
(CHEMBL4583650)Show SMILES O=C(Nc1ccc(cn1)-c1cn(CCNc2c3CCCCc3nc3ccccc23)nn1)Nc1cccc2C(=O)N3CCCCC3c12 Show InChI InChI=1S/C35H35N9O2/c45-34-25-10-7-13-28(32(25)30-14-5-6-18-44(30)34)39-35(46)40-31-16-15-22(20-37-31)29-21-43(42-41-29)19-17-36-33-23-8-1-3-11-26(23)38-27-12-4-2-9-24(27)33/h1,3,7-8,10-11,13,15-16,20-21,30H,2,4-6,9,12,14,17-19H2,(H,36,38)(H2,37,39,40,46) | 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 | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant AChE using ATCh as substrate preincubated for 20 mins followed by substrate addition and measured for 3 mins by Ellma... |
Eur J Med Chem 168: 58-77 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.063
BindingDB Entry DOI: 10.7270/Q2J969S0 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase haspin
(Homo sapiens (Human)) | BDBM50587785
(CHEMBL5178368) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114369
BindingDB Entry DOI: 10.7270/Q2HQ440P |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase haspin
(Homo sapiens (Human)) | BDBM50605473
(CHEMBL5186093) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114369
BindingDB Entry DOI: 10.7270/Q2HQ440P |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta/[Tau protein] kinase
(Sus scrofa) | BDBM50523276
(CHEMBL4443989)Show SMILES [H][C@]12CCCCN1C(=O)c1cccc(NC(=O)Nc3cc(ccn3)-c3cn(CCNc4c5CCCCc5nc5ccccc45)nn3)c21 |r| Show InChI InChI=1S/C35H35N9O2/c45-34-25-10-7-13-28(32(25)30-14-5-6-18-44(30)34)39-35(46)40-31-20-22(15-16-36-31)29-21-43(42-41-29)19-17-37-33-23-8-1-3-11-26(23)38-27-12-4-2-9-24(27)33/h1,3,7-8,10-11,13,15-16,20-21,30H,2,4-6,9,12,14,17-19H2,(H,37,38)(H2,36,39,40,46)/t30-/m1/s1 | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description
Inhibition of native porcine brain GSK-3alpha/beta using GS-1 as substrate incubated for 30 mins in presence of [gamma-33P]ATP by liquid scintillatio... |
Eur J Med Chem 168: 58-77 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.063
BindingDB Entry DOI: 10.7270/Q2J969S0 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase CLK1
(Mus musculus) | BDBM50587785
(CHEMBL5178368) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114369
BindingDB Entry DOI: 10.7270/Q2HQ440P |
More data for this
Ligand-Target Pair | |
Cyclin-T1/Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50564716
(CHEMBL4790926)Show SMILES CN1CCC(=CC1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(Sc2nc3ccccc3[nH]2)cc1 |c:4| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human CDK9/cyclin T in presence of ATP by ADP-glo luminescent assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112355
BindingDB Entry DOI: 10.7270/Q28P649Z |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta/[Tau protein] kinase
(Sus scrofa) | BDBM50523265
(CHEMBL4531222)Show SMILES O=C(Nc1cc(COCc2cn(CCCc3ccccc3)nn2)ccn1)Nc1cccc2C(=O)N3CCCCC3c12 Show InChI InChI=1S/C31H33N7O3/c39-30-25-11-6-12-26(29(25)27-13-4-5-17-38(27)30)33-31(40)34-28-18-23(14-15-32-28)20-41-21-24-19-37(36-35-24)16-7-10-22-8-2-1-3-9-22/h1-3,6,8-9,11-12,14-15,18-19,27H,4-5,7,10,13,16-17,20-21H2,(H2,32,33,34,40) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description
Inhibition of native porcine brain GSK-3alpha/beta using GS-1 as substrate incubated for 30 mins in presence of [gamma-33P]ATP by liquid scintillatio... |
Eur J Med Chem 168: 58-77 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.063
BindingDB Entry DOI: 10.7270/Q2J969S0 |
More data for this
Ligand-Target Pair | |
Cyclin-T1/Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50564717
(CHEMBL4787876)Show SMILES CN1CCC(=CC1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(Sc2nc(c[nH]2)-c2ccccc2)cc1 |c:4| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human CDK9/cyclin T in presence of ATP by ADP-glo luminescent assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112355
BindingDB Entry DOI: 10.7270/Q28P649Z |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50523276
(CHEMBL4443989)Show SMILES [H][C@]12CCCCN1C(=O)c1cccc(NC(=O)Nc3cc(ccn3)-c3cn(CCNc4c5CCCCc5nc5ccccc45)nn3)c21 |r| Show InChI InChI=1S/C35H35N9O2/c45-34-25-10-7-13-28(32(25)30-14-5-6-18-44(30)34)39-35(46)40-31-20-22(15-16-36-31)29-21-43(42-41-29)19-17-37-33-23-8-1-3-11-26(23)38-27-12-4-2-9-24(27)33/h1,3,7-8,10-11,13,15-16,20-21,30H,2,4-6,9,12,14,17-19H2,(H,37,38)(H2,36,39,40,46)/t30-/m1/s1 | 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 | 9.5 | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant AChE using ATCh as substrate preincubated for 20 mins followed by substrate addition and measured for 3 mins by Ellma... |
Eur J Med Chem 168: 58-77 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.063
BindingDB Entry DOI: 10.7270/Q2J969S0 |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta/[Tau protein] kinase
(Sus scrofa) | BDBM50523277
(CHEMBL4516356)Show SMILES O=C(Nc1cc(COCc2cn(CCNc3c4CCCCc4nc4ccccc34)nn2)ccn1)Nc1cccc2C(=O)N3CCCCC3c12 Show InChI InChI=1S/C37H39N9O3/c47-36-28-10-7-13-31(34(28)32-14-5-6-18-46(32)36)41-37(48)42-33-20-24(15-16-38-33)22-49-23-25-21-45(44-43-25)19-17-39-35-26-8-1-3-11-29(26)40-30-12-4-2-9-27(30)35/h1,3,7-8,10-11,13,15-16,20-21,32H,2,4-6,9,12,14,17-19,22-23H2,(H,39,40)(H2,38,41,42,48) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description
Inhibition of native porcine brain GSK-3alpha/beta using GS-1 as substrate incubated for 30 mins in presence of [gamma-33P]ATP by liquid scintillatio... |
Eur J Med Chem 168: 58-77 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.063
BindingDB Entry DOI: 10.7270/Q2J969S0 |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta/[Tau protein] kinase
(Sus scrofa) | BDBM50523269
(CHEMBL4446287)Show SMILES CN(Cc1cn(CCNc2c3CCCCc3nc3ccccc23)nn1)Cc1ccnc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)c1 Show InChI InChI=1S/C38H42N10O2/c1-46(23-26-24-47(45-44-26)20-18-40-36-27-9-2-4-12-30(27)41-31-13-5-3-10-28(31)36)22-25-16-17-39-34(21-25)43-38(50)42-32-14-8-11-29-35(32)33-15-6-7-19-48(33)37(29)49/h2,4,8-9,11-12,14,16-17,21,24,33H,3,5-7,10,13,15,18-20,22-23H2,1H3,(H,40,41)(H2,39,42,43,50) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description
Inhibition of native porcine brain GSK-3alpha/beta using GS-1 as substrate incubated for 30 mins in presence of [gamma-33P]ATP by liquid scintillatio... |
Eur J Med Chem 168: 58-77 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.063
BindingDB Entry DOI: 10.7270/Q2J969S0 |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta/[Tau protein] kinase
(Sus scrofa) | BDBM50523266
(CHEMBL4444585)Show SMILES CN(CC#C)Cc1ccnc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)c1 Show InChI InChI=1S/C23H25N5O2/c1-3-12-27(2)15-16-10-11-24-20(14-16)26-23(30)25-18-8-6-7-17-21(18)19-9-4-5-13-28(19)22(17)29/h1,6-8,10-11,14,19H,4-5,9,12-13,15H2,2H3,(H2,24,25,26,30) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description
Inhibition of native porcine brain GSK-3alpha/beta using GS-1 as substrate incubated for 30 mins in presence of [gamma-33P]ATP by liquid scintillatio... |
Eur J Med Chem 168: 58-77 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.063
BindingDB Entry DOI: 10.7270/Q2J969S0 |
More data for this
Ligand-Target Pair | |
Cyclin-T1/Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM5655
(2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydr...)Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r| Show InChI InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
MMDB
PDB
Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human CDK9/cyclin T in presence of ATP by ADP-glo luminescent assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112355
BindingDB Entry DOI: 10.7270/Q28P649Z |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50523267
(CHEMBL4559936)Show SMILES O=C(Nc1cc(ccn1)-c1cn(CCNc2c3CCCCc3nc3ccccc23)nn1)Nc1cccc2C(=O)N3CCCCC3c12 Show InChI InChI=1S/C35H35N9O2/c45-34-25-10-7-13-28(32(25)30-14-5-6-18-44(30)34)39-35(46)40-31-20-22(15-16-36-31)29-21-43(42-41-29)19-17-37-33-23-8-1-3-11-26(23)38-27-12-4-2-9-24(27)33/h1,3,7-8,10-11,13,15-16,20-21,30H,2,4-6,9,12,14,17-19H2,(H,37,38)(H2,36,39,40,46) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant AChE using ATCh as substrate preincubated for 20 mins followed by substrate addition and measured for 3 mins by Ellma... |
Eur J Med Chem 168: 58-77 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.063
BindingDB Entry DOI: 10.7270/Q2J969S0 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase haspin
(Homo sapiens (Human)) | BDBM50605464
(CHEMBL5188318) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114369
BindingDB Entry DOI: 10.7270/Q2HQ440P |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(RAT) | BDBM50587785
(CHEMBL5178368) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114369
BindingDB Entry DOI: 10.7270/Q2HQ440P |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50523262
(CHEMBL4443468)Show SMILES [H][C@@]12CCCCN1C(=O)c1cccc(NC(=O)Nc3cc(ccn3)-c3cn(CCNc4c5CCCCc5nc5ccccc45)nn3)c21 |r| Show InChI InChI=1S/C35H35N9O2/c45-34-25-10-7-13-28(32(25)30-14-5-6-18-44(30)34)39-35(46)40-31-20-22(15-16-36-31)29-21-43(42-41-29)19-17-37-33-23-8-1-3-11-26(23)38-27-12-4-2-9-24(27)33/h1,3,7-8,10-11,13,15-16,20-21,30H,2,4-6,9,12,14,17-19H2,(H,37,38)(H2,36,39,40,46)/t30-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant AChE using ATCh as substrate preincubated for 20 mins followed by substrate addition and measured for 3 mins by Ellma... |
Eur J Med Chem 168: 58-77 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.063
BindingDB Entry DOI: 10.7270/Q2J969S0 |
More data for this
Ligand-Target Pair | |
Cyclin-T1/Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50564718
(CHEMBL4781618)Show SMILES CN1CCC(=CC1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(Sc2nc3ccccc3n2C)cc1 |c:4| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human CDK9/cyclin T in presence of ATP by ADP-glo luminescent assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112355
BindingDB Entry DOI: 10.7270/Q28P649Z |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase haspin
(Homo sapiens (Human)) | BDBM50542441
(CHEMBL4642838)Show InChI InChI=1S/C16H10N2O3/c19-10-3-4-12-13(7-10)21-14(15(12)20)6-9-8-18-16-11(9)2-1-5-17-16/h1-8,19H,(H,17,18)/b14-6- | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
North-West University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Haspin (470 to 798 residues) expressed in bacteria using Histone H3 and ARTKQTARKSTGGKAPRKQLA as substrate in presenc... |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2020.115468
BindingDB Entry DOI: 10.7270/Q28G8Q87 |
More data for this
Ligand-Target Pair | |
Cyclin-T1/Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50564719
(CHEMBL4793858)Show SMILES CN1CCC(=CC1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(Sc2nc3ccccc3[nH]2)cc1Cl |c:4| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human CDK9/cyclin T in presence of ATP by ADP-glo luminescent assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112355
BindingDB Entry DOI: 10.7270/Q28P649Z |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta/[Tau protein] kinase
(Sus scrofa) | BDBM50523282
(CHEMBL4515295)Show SMILES O=C(Nc1cc(CCC#C)ccn1)Nc1cccc2C(=O)N3CCCCC3c12 Show InChI InChI=1S/C22H22N4O2/c1-2-3-7-15-11-12-23-19(14-15)25-22(28)24-17-9-6-8-16-20(17)18-10-4-5-13-26(18)21(16)27/h1,6,8-9,11-12,14,18H,3-5,7,10,13H2,(H2,23,24,25,28) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description
Inhibition of native porcine brain GSK-3alpha/beta using GS-1 as substrate incubated for 30 mins in presence of [gamma-33P]ATP by liquid scintillatio... |
Eur J Med Chem 168: 58-77 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.063
BindingDB Entry DOI: 10.7270/Q2J969S0 |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta/[Tau protein] kinase
(Sus scrofa) | BDBM50523267
(CHEMBL4559936)Show SMILES O=C(Nc1cc(ccn1)-c1cn(CCNc2c3CCCCc3nc3ccccc23)nn1)Nc1cccc2C(=O)N3CCCCC3c12 Show InChI InChI=1S/C35H35N9O2/c45-34-25-10-7-13-28(32(25)30-14-5-6-18-44(30)34)39-35(46)40-31-20-22(15-16-36-31)29-21-43(42-41-29)19-17-37-33-23-8-1-3-11-26(23)38-27-12-4-2-9-24(27)33/h1,3,7-8,10-11,13,15-16,20-21,30H,2,4-6,9,12,14,17-19H2,(H,37,38)(H2,36,39,40,46) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description
Inhibition of native porcine brain GSK-3alpha/beta using GS-1 as substrate incubated for 30 mins in presence of [gamma-33P]ATP by liquid scintillatio... |
Eur J Med Chem 168: 58-77 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.063
BindingDB Entry DOI: 10.7270/Q2J969S0 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase CLK1
(Mus musculus) | BDBM50148458
(CHEMBL4778413)Show InChI InChI=1S/C18H18N2O4S/c1-19-17(21)15-8-11-16(25-15)12(9-20(2)18(11)22)10-5-6-13(23-3)14(7-10)24-4/h5-9H,1-4H3,(H,19,21) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human plasmin using pyroGlu-Phe-Lys-pNA.HCl |
Citation and Details
Article DOI: 10.1016/j.ejmech.2019.01.052
BindingDB Entry DOI: 10.7270/Q2BZ69NW |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cyclin-dependent kinase 5 activator 1
(Homo sapiens (Human)) | BDBM50523278
(CHEMBL4463060)Show SMILES [H][C@]12CCCCN1C(=O)c1cccc(NC(=O)Nc3cc(ccn3)C#C)c21 |r| Show InChI InChI=1S/C20H18N4O2/c1-2-13-9-10-21-17(12-13)23-20(26)22-15-7-5-6-14-18(15)16-8-3-4-11-24(16)19(14)25/h1,5-7,9-10,12,16H,3-4,8,11H2,(H2,21,22,23,26)/t16-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CDK5/p25 using histone H1 as substrate in presence of [gamma-33P]ATP incubated for 30 mins by liquid scintillation co... |
Eur J Med Chem 168: 58-77 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.063
BindingDB Entry DOI: 10.7270/Q2J969S0 |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta/[Tau protein] kinase
(Sus scrofa) | BDBM50523262
(CHEMBL4443468)Show SMILES [H][C@@]12CCCCN1C(=O)c1cccc(NC(=O)Nc3cc(ccn3)-c3cn(CCNc4c5CCCCc5nc5ccccc45)nn3)c21 |r| Show InChI InChI=1S/C35H35N9O2/c45-34-25-10-7-13-28(32(25)30-14-5-6-18-44(30)34)39-35(46)40-31-20-22(15-16-36-31)29-21-43(42-41-29)19-17-37-33-23-8-1-3-11-26(23)38-27-12-4-2-9-24(27)33/h1,3,7-8,10-11,13,15-16,20-21,30H,2,4-6,9,12,14,17-19H2,(H,37,38)(H2,36,39,40,46)/t30-/m0/s1 | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description
Inhibition of native porcine brain GSK-3alpha/beta using GS-1 as substrate incubated for 30 mins in presence of [gamma-33P]ATP by liquid scintillatio... |
Eur J Med Chem 168: 58-77 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.063
BindingDB Entry DOI: 10.7270/Q2J969S0 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase CLK1
(Mus musculus) | BDBM50605473
(CHEMBL5186093) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114369
BindingDB Entry DOI: 10.7270/Q2HQ440P |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM5655
(2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydr...)Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r| Show InChI InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1 | PDB
MMDB
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
MMDB
PDB
Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CDK9 (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112355
BindingDB Entry DOI: 10.7270/Q28P649Z |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(RAT) | BDBM50249773
(CHEMBL4763099)Show InChI InChI=1S/C13H16N2O3S/c1-9(2)19(17,18)14-11-5-6-12-10(8-11)4-7-13(16)15(12)3/h4-9,14H,1-3H3 | PDB
UniProtKB/SwissProt
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BRD9 (unknown origin) incubated in dark for 30 mins by TR-FRET assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2019.01.052
BindingDB Entry DOI: 10.7270/Q2BZ69NW |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50347750
(CHEMBL1802358)Show SMILES O=C1NC(Nc2ccccc2)=NC1=Cc1ccc2OCOc2c1 |w:13.15,c:11| Show InChI InChI=1S/C17H13N3O3/c21-16-13(8-11-6-7-14-15(9-11)23-10-22-14)19-17(20-16)18-12-4-2-1-3-5-12/h1-9H,10H2,(H2,18,19,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Rennes 1
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DYRK1A expressed in Escherichia coli using GRSRSRSRSRSR as substrate |
Eur J Med Chem 62: 728-37 (2013)
Article DOI: 10.1016/j.ejmech.2013.01.035
BindingDB Entry DOI: 10.7270/Q2T1553Q |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50523275
(CHEMBL4537026)Show SMILES O=C(Nc1cccc(n1)-c1cn(CCNc2c3CCCCc3nc3ccccc23)nn1)Nc1cccc2C(=O)N3CCCCC3c12 Show InChI InChI=1S/C35H35N9O2/c45-34-24-11-7-15-28(32(24)30-16-5-6-19-44(30)34)39-35(46)40-31-17-8-14-27(38-31)29-21-43(42-41-29)20-18-36-33-22-9-1-3-12-25(22)37-26-13-4-2-10-23(26)33/h1,3,7-9,11-12,14-15,17,21,30H,2,4-6,10,13,16,18-20H2,(H,36,37)(H2,38,39,40,46) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description
Inhibition of human serum BChE using BTCh as substrate preincubated for 20 mins followed by substrate addition and measured for 3 mins by Ellman's me... |
Eur J Med Chem 168: 58-77 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.063
BindingDB Entry DOI: 10.7270/Q2J969S0 |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50523277
(CHEMBL4516356)Show SMILES O=C(Nc1cc(COCc2cn(CCNc3c4CCCCc4nc4ccccc34)nn2)ccn1)Nc1cccc2C(=O)N3CCCCC3c12 Show InChI InChI=1S/C37H39N9O3/c47-36-28-10-7-13-31(34(28)32-14-5-6-18-46(32)36)41-37(48)42-33-20-24(15-16-38-33)22-49-23-25-21-45(44-43-25)19-17-39-35-26-8-1-3-11-29(26)40-30-12-4-2-9-27(30)35/h1,3,7-8,10-11,13,15-16,20-21,32H,2,4-6,9,12,14,17-19,22-23H2,(H,39,40)(H2,38,41,42,48) | 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 | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant AChE using ATCh as substrate preincubated for 20 mins followed by substrate addition and measured for 3 mins by Ellma... |
Eur J Med Chem 168: 58-77 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.063
BindingDB Entry DOI: 10.7270/Q2J969S0 |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta/[Tau protein] kinase
(Sus scrofa) | BDBM50523268
(CHEMBL4593316)Show SMILES O=C(Nc1cc(CCc2cn(CCNc3c4CCCCc4nc4ccccc34)nn2)ccn1)Nc1cccc2C(=O)N3CCCCC3c12 Show InChI InChI=1S/C37H39N9O2/c47-36-28-10-7-13-31(34(28)32-14-5-6-20-46(32)36)41-37(48)42-33-22-24(17-18-38-33)15-16-25-23-45(44-43-25)21-19-39-35-26-8-1-3-11-29(26)40-30-12-4-2-9-27(30)35/h1,3,7-8,10-11,13,17-18,22-23,32H,2,4-6,9,12,14-16,19-21H2,(H,39,40)(H2,38,41,42,48) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description
Inhibition of native porcine brain GSK-3alpha/beta using GS-1 as substrate incubated for 30 mins in presence of [gamma-33P]ATP by liquid scintillatio... |
Eur J Med Chem 168: 58-77 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.063
BindingDB Entry DOI: 10.7270/Q2J969S0 |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta/[Tau protein] kinase
(Sus scrofa) | BDBM50399310
(CHEMBL2180854)Show InChI InChI=1S/C18H17BrN4O2/c19-11-7-8-20-15(10-11)22-18(25)21-13-5-3-4-12-16(13)14-6-1-2-9-23(14)17(12)24/h3-5,7-8,10,14H,1-2,6,9H2,(H2,20,21,22,25) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description
Inhibition of native porcine brain GSK-3alpha/beta using GS-1 as substrate incubated for 30 mins in presence of [gamma-33P]ATP by liquid scintillatio... |
Eur J Med Chem 168: 58-77 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.063
BindingDB Entry DOI: 10.7270/Q2J969S0 |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(RAT) | BDBM50249769
(CHEMBL4748345)Show InChI InChI=1S/C16H14N2O3S/c1-18-15-9-8-14(11-12(15)7-10-16(18)19)22(20,21)17-13-5-3-2-4-6-13/h2-11,17H,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
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UniChem
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Similars
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BRD9 (unknown origin) incubated in dark for 30 mins by TR-FRET assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2019.01.052
BindingDB Entry DOI: 10.7270/Q2BZ69NW |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50523268
(CHEMBL4593316)Show SMILES O=C(Nc1cc(CCc2cn(CCNc3c4CCCCc4nc4ccccc34)nn2)ccn1)Nc1cccc2C(=O)N3CCCCC3c12 Show InChI InChI=1S/C37H39N9O2/c47-36-28-10-7-13-31(34(28)32-14-5-6-20-46(32)36)41-37(48)42-33-22-24(17-18-38-33)15-16-25-23-45(44-43-25)21-19-39-35-26-8-1-3-11-29(26)40-30-12-4-2-9-27(30)35/h1,3,7-8,10-11,13,17-18,22-23,32H,2,4-6,9,12,14-16,19-21H2,(H,39,40)(H2,38,41,42,48) | 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 | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant AChE using ATCh as substrate preincubated for 20 mins followed by substrate addition and measured for 3 mins by Ellma... |
Eur J Med Chem 168: 58-77 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.063
BindingDB Entry DOI: 10.7270/Q2J969S0 |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta/[Tau protein] kinase
(Sus scrofa) | BDBM50523274
(CHEMBL4537142)Show SMILES Cn1cc(COCc2ccnc(NC(=O)Nc3cccc4C(=O)N5CCCCC5c34)c2)nn1 Show InChI InChI=1S/C23H25N7O3/c1-29-12-16(27-28-29)14-33-13-15-8-9-24-20(11-15)26-23(32)25-18-6-4-5-17-21(18)19-7-2-3-10-30(19)22(17)31/h4-6,8-9,11-12,19H,2-3,7,10,13-14H2,1H3,(H2,24,25,26,32) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description
Inhibition of native porcine brain GSK-3alpha/beta using GS-1 as substrate incubated for 30 mins in presence of [gamma-33P]ATP by liquid scintillatio... |
Eur J Med Chem 168: 58-77 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.063
BindingDB Entry DOI: 10.7270/Q2J969S0 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 5 activator 1
(Homo sapiens (Human)) | BDBM50399310
(CHEMBL2180854)Show InChI InChI=1S/C18H17BrN4O2/c19-11-7-8-20-15(10-11)22-18(25)21-13-5-3-4-12-16(13)14-6-1-2-9-23(14)17(12)24/h3-5,7-8,10,14H,1-2,6,9H2,(H2,20,21,22,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CDK5/p25 using histone H1 as substrate in presence of [gamma-33P]ATP incubated for 30 mins by liquid scintillation co... |
Eur J Med Chem 168: 58-77 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.063
BindingDB Entry DOI: 10.7270/Q2J969S0 |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50443638
(CHEMBL3092863)Show SMILES NCCOCCOCCOCCOc1ccc(NC2=NC(=Cc3ccc4OCOc4c3)C(=O)N2)cc1 |w:21.21,t:18| Show InChI InChI=1S/C25H30N4O7/c26-7-8-31-9-10-32-11-12-33-13-14-34-20-4-2-19(3-5-20)27-25-28-21(24(30)29-25)15-18-1-6-22-23(16-18)36-17-35-22/h1-6,15-16H,7-14,17,26H2,(H2,27,28,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Rennes 1
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DYRK1A expressed in Escherichia coli using GRSRSRSRSRSR as substrate |
Eur J Med Chem 62: 728-37 (2013)
Article DOI: 10.1016/j.ejmech.2013.01.035
BindingDB Entry DOI: 10.7270/Q2T1553Q |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM50587785
(CHEMBL5178368) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114369
BindingDB Entry DOI: 10.7270/Q2HQ440P |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta/[Tau protein] kinase
(Sus scrofa) | BDBM50523273
(CHEMBL4459540)Show SMILES O=C(Nc1cc(COCc2cn(CCNc3ccncc3)nn2)ccn1)Nc1cccc2C(=O)N3CCCCC3c12 Show InChI InChI=1S/C29H31N9O3/c39-28-23-4-3-5-24(27(23)25-6-1-2-14-38(25)28)33-29(40)34-26-16-20(7-12-32-26)18-41-19-22-17-37(36-35-22)15-13-31-21-8-10-30-11-9-21/h3-5,7-12,16-17,25H,1-2,6,13-15,18-19H2,(H,30,31)(H2,32,33,34,40) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description
Inhibition of native porcine brain GSK-3alpha/beta using GS-1 as substrate incubated for 30 mins in presence of [gamma-33P]ATP by liquid scintillatio... |
Eur J Med Chem 168: 58-77 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.063
BindingDB Entry DOI: 10.7270/Q2J969S0 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase CLK4
(Mus musculus) | BDBM50347750
(CHEMBL1802358)Show SMILES O=C1NC(Nc2ccccc2)=NC1=Cc1ccc2OCOc2c1 |w:13.15,c:11| Show InChI InChI=1S/C17H13N3O3/c21-16-13(8-11-6-7-14-15(9-11)23-10-22-14)19-17(20-16)18-12-4-2-1-3-5-12/h1-9H,10H2,(H2,18,19,20,21) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Rennes 1
Curated by ChEMBL
| Assay Description
Inhibition of mouse recombinant CLK4 expressed in Escherichia coli using GRSRSRSRSRSR as substrate |
Eur J Med Chem 62: 728-37 (2013)
Article DOI: 10.1016/j.ejmech.2013.01.035
BindingDB Entry DOI: 10.7270/Q2T1553Q |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta/[Tau protein] kinase
(Sus scrofa) | BDBM50523278
(CHEMBL4463060)Show SMILES [H][C@]12CCCCN1C(=O)c1cccc(NC(=O)Nc3cc(ccn3)C#C)c21 |r| Show InChI InChI=1S/C20H18N4O2/c1-2-13-9-10-21-17(12-13)23-20(26)22-15-7-5-6-14-18(15)16-8-3-4-11-24(16)19(14)25/h1,5-7,9-10,12,16H,3-4,8,11H2,(H2,21,22,23,26)/t16-/m1/s1 | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description
Inhibition of native porcine brain GSK-3alpha/beta using GS-1 as substrate incubated for 30 mins in presence of [gamma-33P]ATP by liquid scintillatio... |
Eur J Med Chem 168: 58-77 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.063
BindingDB Entry DOI: 10.7270/Q2J969S0 |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM8961
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| Purchase
CHEMBL
DrugBank
MCE
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MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description
Inhibition of human serum BChE using BTCh as substrate preincubated for 20 mins followed by substrate addition and measured for 3 mins by Ellman's me... |
Eur J Med Chem 168: 58-77 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.063
BindingDB Entry DOI: 10.7270/Q2J969S0 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dual specificity protein kinase CLK1
(Mus musculus) | BDBM50347750
(CHEMBL1802358)Show SMILES O=C1NC(Nc2ccccc2)=NC1=Cc1ccc2OCOc2c1 |w:13.15,c:11| Show InChI InChI=1S/C17H13N3O3/c21-16-13(8-11-6-7-14-15(9-11)23-10-22-14)19-17(20-16)18-12-4-2-1-3-5-12/h1-9H,10H2,(H2,18,19,20,21) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Rennes 1
Curated by ChEMBL
| Assay Description
Inhibition of mouse recombinant CLK1 expressed in Escherichia coli using GRSRSRSRSRSR as substrate |
Eur J Med Chem 62: 728-37 (2013)
Article DOI: 10.1016/j.ejmech.2013.01.035
BindingDB Entry DOI: 10.7270/Q2T1553Q |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase CLK1
(Mus musculus) | BDBM50605464
(CHEMBL5188318) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114369
BindingDB Entry DOI: 10.7270/Q2HQ440P |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta/[Tau protein] kinase
(Sus scrofa) | BDBM50523271
(CHEMBL4566076)Show SMILES O=C(Nc1cc(ccn1)C#C)Nc1cccc2C(=O)N3CCCCC3c12 Show InChI InChI=1S/C20H18N4O2/c1-2-13-9-10-21-17(12-13)23-20(26)22-15-7-5-6-14-18(15)16-8-3-4-11-24(16)19(14)25/h1,5-7,9-10,12,16H,3-4,8,11H2,(H2,21,22,23,26) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description
Inhibition of native porcine brain GSK-3alpha/beta using GS-1 as substrate incubated for 30 mins in presence of [gamma-33P]ATP by liquid scintillatio... |
Eur J Med Chem 168: 58-77 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.063
BindingDB Entry DOI: 10.7270/Q2J969S0 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 5 activator 1
(Homo sapiens (Human)) | BDBM50587785
(CHEMBL5178368) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114369
BindingDB Entry DOI: 10.7270/Q2HQ440P |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(RAT) | BDBM50605464
(CHEMBL5188318) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114369
BindingDB Entry DOI: 10.7270/Q2HQ440P |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase haspin
(Homo sapiens (Human)) | BDBM50605471
(CHEMBL5181620) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114369
BindingDB Entry DOI: 10.7270/Q2HQ440P |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 5 activator 1
(Homo sapiens (Human)) | BDBM50523263
(CHEMBL4483607)Show SMILES [H][C@@]12CCCCN1C(=O)c1cccc(NC(=O)Nc3cc(ccn3)C#C)c21 |r| Show InChI InChI=1S/C20H18N4O2/c1-2-13-9-10-21-17(12-13)23-20(26)22-15-7-5-6-14-18(15)16-8-3-4-11-24(16)19(14)25/h1,5-7,9-10,12,16H,3-4,8,11H2,(H2,21,22,23,26)/t16-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CDK5/p25 using histone H1 as substrate in presence of [gamma-33P]ATP incubated for 30 mins by liquid scintillation co... |
Eur J Med Chem 168: 58-77 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.063
BindingDB Entry DOI: 10.7270/Q2J969S0 |
More data for this
Ligand-Target Pair | |
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