Found 207 hits with Last Name = 'cockerill' and Initial = 'm' 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 |
|---|
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
(Homo sapiens (Human)) | BDBM50081185
(CHEMBL3421963)Show SMILES COc1cc(ccc1Nc1cc(ncn1)-c1c[nH]c2cnccc12)N1CCN(C)CC1 Show InChI InChI=1S/C23H25N7O/c1-29-7-9-30(10-8-29)16-3-4-19(22(11-16)31-2)28-23-12-20(26-15-27-23)18-13-25-21-14-24-6-5-17(18)21/h3-6,11-15,25H,7-10H2,1-2H3,(H,26,27,28) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Dyrk1B (unknown origin) using FITC-Asp-His-Thr-Gly-Phe-Leu-Thr-Glu-Tyr-Val-Ala-Thr-Arg-NH2 as substrate after 60 mins |
J Med Chem 58: 2834-44 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00098
BindingDB Entry DOI: 10.7270/Q23B61VW |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
(Homo sapiens (Human)) | BDBM50081186
(CHEMBL3421962)Show SMILES CN1CCN(CC1)c1ccc(Nc2cc(ncn2)-c2c[nH]c3cnccc23)cc1 Show InChI InChI=1S/C22H23N7/c1-28-8-10-29(11-9-28)17-4-2-16(3-5-17)27-22-12-20(25-15-26-22)19-13-24-21-14-23-7-6-18(19)21/h2-7,12-15,24H,8-11H2,1H3,(H,25,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Dyrk1B (unknown origin) using FITC-Asp-His-Thr-Gly-Phe-Leu-Thr-Glu-Tyr-Val-Ala-Thr-Arg-NH2 as substrate after 60 mins |
J Med Chem 58: 2834-44 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00098
BindingDB Entry DOI: 10.7270/Q23B61VW |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
(Homo sapiens (Human)) | BDBM50081174
(CHEMBL3421968)Show SMILES COc1cc(ccc1Nc1nccc(n1)-c1cn(C)c2cnccc12)N1CCN(C)CC1 Show InChI InChI=1S/C24H27N7O/c1-29-10-12-31(13-11-29)17-4-5-21(23(14-17)32-3)28-24-26-9-7-20(27-24)19-16-30(2)22-15-25-8-6-18(19)22/h4-9,14-16H,10-13H2,1-3H3,(H,26,27,28) | PDB
UniProtKB/SwissProt
antibodypedia
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| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
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| PDB
Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Dyrk1B (unknown origin) using FITC-Asp-His-Thr-Gly-Phe-Leu-Thr-Glu-Tyr-Val-Ala-Thr-Arg-NH2 as substrate after 60 mins |
J Med Chem 58: 2834-44 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00098
BindingDB Entry DOI: 10.7270/Q23B61VW |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
(Homo sapiens (Human)) | BDBM50081188
(CHEMBL3421981)Show InChI InChI=1S/C14H10N4/c1-4-15-8-13-10(1)12(7-18-13)9-2-5-16-14-11(9)3-6-17-14/h1-8,18H,(H,16,17) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Dyrk1B (unknown origin) using FITC-Asp-His-Thr-Gly-Phe-Leu-Thr-Glu-Tyr-Val-Ala-Thr-Arg-NH2 as substrate after 60 mins |
J Med Chem 58: 2834-44 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00098
BindingDB Entry DOI: 10.7270/Q23B61VW |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
(Homo sapiens (Human)) | BDBM50081181
(CHEMBL3421967)Show SMILES COc1cc(ccc1Nc1nccc(n1)-c1c[nH]c2cnccc12)N1CCN(C)CC1 Show InChI InChI=1S/C23H25N7O/c1-29-9-11-30(12-10-29)16-3-4-20(22(13-16)31-2)28-23-25-8-6-19(27-23)18-14-26-21-15-24-7-5-17(18)21/h3-8,13-15,26H,9-12H2,1-2H3,(H,25,27,28) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Dyrk1B (unknown origin) using FITC-Asp-His-Thr-Gly-Phe-Leu-Thr-Glu-Tyr-Val-Ala-Thr-Arg-NH2 as substrate after 60 mins |
J Med Chem 58: 2834-44 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00098
BindingDB Entry DOI: 10.7270/Q23B61VW |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
(Homo sapiens (Human)) | BDBM50081180
(CHEMBL3421969)Show SMILES COc1cc(ccc1Nc1nccc(n1)-c1c[nH]c2cnc(C)cc12)N1CCN(C)CC1 Show InChI InChI=1S/C24H27N7O/c1-16-12-18-19(14-27-22(18)15-26-16)20-6-7-25-24(28-20)29-21-5-4-17(13-23(21)32-3)31-10-8-30(2)9-11-31/h4-7,12-15,27H,8-11H2,1-3H3,(H,25,28,29) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Dyrk1B (unknown origin) using FITC-Asp-His-Thr-Gly-Phe-Leu-Thr-Glu-Tyr-Val-Ala-Thr-Arg-NH2 as substrate after 60 mins |
J Med Chem 58: 2834-44 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00098
BindingDB Entry DOI: 10.7270/Q23B61VW |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
(Homo sapiens (Human)) | BDBM50081179
(CHEMBL3421970)Show SMILES COc1cc(ccc1Nc1nccc(n1)-c1c[nH]c2c(C)nccc12)N1CCN(C)CC1 Show InChI InChI=1S/C24H27N7O/c1-16-23-18(6-8-25-16)19(15-27-23)20-7-9-26-24(28-20)29-21-5-4-17(14-22(21)32-3)31-12-10-30(2)11-13-31/h4-9,14-15,27H,10-13H2,1-3H3,(H,26,28,29) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Dyrk1B (unknown origin) using FITC-Asp-His-Thr-Gly-Phe-Leu-Thr-Glu-Tyr-Val-Ala-Thr-Arg-NH2 as substrate after 60 mins |
J Med Chem 58: 2834-44 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00098
BindingDB Entry DOI: 10.7270/Q23B61VW |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
(Homo sapiens (Human)) | BDBM50081191
(CHEMBL3421978)Show InChI InChI=1S/C19H14N4/c1-2-4-14(5-3-1)6-7-19-21-11-9-17(23-19)16-12-22-18-13-20-10-8-15(16)18/h1-13,22H/b7-6+ | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Dyrk1B (unknown origin) using FITC-Asp-His-Thr-Gly-Phe-Leu-Thr-Glu-Tyr-Val-Ala-Thr-Arg-NH2 as substrate after 60 mins |
J Med Chem 58: 2834-44 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00098
BindingDB Entry DOI: 10.7270/Q23B61VW |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
(Homo sapiens (Human)) | BDBM50081189
(CHEMBL3421980)Show InChI InChI=1S/C19H16N4/c1-14-21-10-8-18(22-14)17-13-23(12-15-5-3-2-4-6-15)19-11-20-9-7-16(17)19/h2-11,13H,12H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
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CHEMBL
MCE
PC cid
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Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Dyrk1B (unknown origin) using FITC-Asp-His-Thr-Gly-Phe-Leu-Thr-Glu-Tyr-Val-Ala-Thr-Arg-NH2 as substrate after 60 mins |
J Med Chem 58: 2834-44 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00098
BindingDB Entry DOI: 10.7270/Q23B61VW |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
(Homo sapiens (Human)) | BDBM50081178
(CHEMBL3421971)Show SMILES COc1cc(ccc1Nc1nccc(n1)-c1cn(C)c2c(C)nccc12)N1CCN(C)CC1 Show InChI InChI=1S/C25H29N7O/c1-17-24-19(7-9-26-17)20(16-31(24)3)21-8-10-27-25(28-21)29-22-6-5-18(15-23(22)33-4)32-13-11-30(2)12-14-32/h5-10,15-16H,11-14H2,1-4H3,(H,27,28,29) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Dyrk1B (unknown origin) using FITC-Asp-His-Thr-Gly-Phe-Leu-Thr-Glu-Tyr-Val-Ala-Thr-Arg-NH2 as substrate after 60 mins |
J Med Chem 58: 2834-44 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00098
BindingDB Entry DOI: 10.7270/Q23B61VW |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
(Homo sapiens (Human)) | BDBM50081182
(CHEMBL3421966)Show SMILES COc1cc(ccc1Nc1nccc(n1)-c1c[nH]c2cnccc12)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C24H25N7O2/c1-16(32)30-9-11-31(12-10-30)17-3-4-21(23(13-17)33-2)29-24-26-8-6-20(28-24)19-14-27-22-15-25-7-5-18(19)22/h3-8,13-15,27H,9-12H2,1-2H3,(H,26,28,29) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Dyrk1B (unknown origin) using FITC-Asp-His-Thr-Gly-Phe-Leu-Thr-Glu-Tyr-Val-Ala-Thr-Arg-NH2 as substrate after 60 mins |
J Med Chem 58: 2834-44 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00098
BindingDB Entry DOI: 10.7270/Q23B61VW |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
(Homo sapiens (Human)) | BDBM50081193
(CHEMBL3421976)Show SMILES Cn1cc(-c2ccnc(n2)-c2ccc(cc2)S(C)(=O)=O)c2ccncc12 Show InChI InChI=1S/C19H16N4O2S/c1-23-12-16(15-7-9-20-11-18(15)23)17-8-10-21-19(22-17)13-3-5-14(6-4-13)26(2,24)25/h3-12H,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Dyrk1B (unknown origin) using FITC-Asp-His-Thr-Gly-Phe-Leu-Thr-Glu-Tyr-Val-Ala-Thr-Arg-NH2 as substrate after 60 mins |
J Med Chem 58: 2834-44 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00098
BindingDB Entry DOI: 10.7270/Q23B61VW |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
(Homo sapiens (Human)) | BDBM50081192
(CHEMBL3421977)Show SMILES Cc1nccc2c(c[nH]c12)-c1ccnc(n1)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C19H16N4O2S/c1-12-18-15(7-9-20-12)16(11-22-18)17-8-10-21-19(23-17)13-3-5-14(6-4-13)26(2,24)25/h3-11,22H,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Dyrk1B (unknown origin) using FITC-Asp-His-Thr-Gly-Phe-Leu-Thr-Glu-Tyr-Val-Ala-Thr-Arg-NH2 as substrate after 60 mins |
J Med Chem 58: 2834-44 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00098
BindingDB Entry DOI: 10.7270/Q23B61VW |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
(Homo sapiens (Human)) | BDBM50081184
(CHEMBL3421964)Show SMILES COc1cc(ccc1Nc1cc(ncn1)-c1c[nH]c2cnccc12)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C24H25N7O2/c1-16(32)30-7-9-31(10-8-30)17-3-4-20(23(11-17)33-2)29-24-12-21(27-15-28-24)19-13-26-22-14-25-6-5-18(19)22/h3-6,11-15,26H,7-10H2,1-2H3,(H,27,28,29) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Dyrk1B (unknown origin) using FITC-Asp-His-Thr-Gly-Phe-Leu-Thr-Glu-Tyr-Val-Ala-Thr-Arg-NH2 as substrate after 60 mins |
J Med Chem 58: 2834-44 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00098
BindingDB Entry DOI: 10.7270/Q23B61VW |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
(Homo sapiens (Human)) | BDBM50081190
(CHEMBL3421979)Show InChI InChI=1S/C12H10N4/c1-8-14-5-3-11(16-8)10-6-15-12-7-13-4-2-9(10)12/h2-7,15H,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Dyrk1B (unknown origin) using FITC-Asp-His-Thr-Gly-Phe-Leu-Thr-Glu-Tyr-Val-Ala-Thr-Arg-NH2 as substrate after 60 mins |
J Med Chem 58: 2834-44 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00098
BindingDB Entry DOI: 10.7270/Q23B61VW |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50081177
(CHEMBL3421973)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3cnccc23)cc1 Show InChI InChI=1S/C22H22ClN7/c1-29-8-10-30(11-9-29)16-4-2-15(3-5-16)27-22-26-13-19(23)21(28-22)18-12-25-20-14-24-7-6-17(18)20/h2-7,12-14,25H,8-11H2,1H3,(H,26,27,28) | 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 | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant full length C-terminal His6-tagged CDK2 expressed in baculovirus infected Sf21 insect cells using fluorescence substr... |
J Med Chem 58: 2834-44 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00098
BindingDB Entry DOI: 10.7270/Q23B61VW |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50081173
(CHEMBL3421972)Show SMILES COc1cc(OC2CCN(C)CC2)ccc1Nc1nccc(n1)-c1c[nH]c2cnccc12 Show InChI InChI=1S/C24H26N6O2/c1-30-11-7-16(8-12-30)32-17-3-4-21(23(13-17)31-2)29-24-26-10-6-20(28-24)19-14-27-22-15-25-9-5-18(19)22/h3-6,9-10,13-16,27H,7-8,11-12H2,1-2H3,(H,26,28,29) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human wild-type TTK (514 to 795) expressed in insect sf9 cells |
J Med Chem 58: 2834-44 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00098
BindingDB Entry DOI: 10.7270/Q23B61VW |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
(Homo sapiens (Human)) | BDBM50081175
(CHEMBL3421975)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nccc(n1)-c1c[nH]c2cnccc12 Show InChI InChI=1S/C18H14N4O2S/c1-25(23,24)13-4-2-12(3-5-13)18-20-9-7-16(22-18)15-10-21-17-11-19-8-6-14(15)17/h2-11,21H,1H3 | PDB
UniProtKB/SwissProt
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 |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Dyrk1B (unknown origin) using FITC-Asp-His-Thr-Gly-Phe-Leu-Thr-Glu-Tyr-Val-Ala-Thr-Arg-NH2 as substrate after 60 mins |
J Med Chem 58: 2834-44 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00098
BindingDB Entry DOI: 10.7270/Q23B61VW |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
(Homo sapiens (Human)) | BDBM50081177
(CHEMBL3421973)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3cnccc23)cc1 Show InChI InChI=1S/C22H22ClN7/c1-29-8-10-30(11-9-29)16-4-2-15(3-5-16)27-22-26-13-19(23)21(28-22)18-12-25-20-14-24-7-6-17(18)20/h2-7,12-14,25H,8-11H2,1H3,(H,26,27,28) | PDB
UniProtKB/SwissProt
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 |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Dyrk1B (unknown origin) using FITC-Asp-His-Thr-Gly-Phe-Leu-Thr-Glu-Tyr-Val-Ala-Thr-Arg-NH2 as substrate after 60 mins |
J Med Chem 58: 2834-44 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00098
BindingDB Entry DOI: 10.7270/Q23B61VW |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50081177
(CHEMBL3421973)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3cnccc23)cc1 Show InChI InChI=1S/C22H22ClN7/c1-29-8-10-30(11-9-29)16-4-2-15(3-5-16)27-22-26-13-19(23)21(28-22)18-12-25-20-14-24-7-6-17(18)20/h2-7,12-14,25H,8-11H2,1H3,(H,26,27,28) | PDB
MMDB
Reactome pathway
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| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant N-terminal His6-tagged IGF-1R using fluorescence substrate after 80 mins by caliper off-chip incubation mobility shif... |
J Med Chem 58: 2834-44 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00098
BindingDB Entry DOI: 10.7270/Q23B61VW |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM100152
(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3 | PDB
MMDB
Reactome pathway
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| PDB
Article
PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged Dyrk1A (unknown origin) expressed in Escherichia coli using [33P]ATP[gammaP]/DYRKtide as substrate after 5 mins by liquid sc... |
J Med Chem 58: 2834-44 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00098
BindingDB Entry DOI: 10.7270/Q23B61VW |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
(Homo sapiens (Human)) | BDBM50081183
(CHEMBL3421965)Show SMILES COc1cc(ccc1Nc1cc(ncn1)-c1cn(C)c2cnccc12)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C25H27N7O2/c1-17(33)31-8-10-32(11-9-31)18-4-5-21(24(12-18)34-3)29-25-13-22(27-16-28-25)20-15-30(2)23-14-26-7-6-19(20)23/h4-7,12-16H,8-11H2,1-3H3,(H,27,28,29) | PDB
UniProtKB/SwissProt
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| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Dyrk1B (unknown origin) using FITC-Asp-His-Thr-Gly-Phe-Leu-Thr-Glu-Tyr-Val-Ala-Thr-Arg-NH2 as substrate after 60 mins |
J Med Chem 58: 2834-44 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00098
BindingDB Entry DOI: 10.7270/Q23B61VW |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
(Homo sapiens (Human)) | BDBM50081174
(CHEMBL3421968)Show SMILES COc1cc(ccc1Nc1nccc(n1)-c1cn(C)c2cnccc12)N1CCN(C)CC1 Show InChI InChI=1S/C24H27N7O/c1-29-10-12-31(13-11-29)17-4-5-21(23(14-17)32-3)28-24-26-9-7-20(27-24)19-16-30(2)22-15-25-8-6-18(19)22/h4-9,14-16H,10-13H2,1-3H3,(H,26,27,28) | PDB
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| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human full length C-terminal c-Myc tagged Dyrk1B phosphorylation overexpressed in monkey COS1 cells after 5 hrs by ELISA |
J Med Chem 58: 2834-44 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00098
BindingDB Entry DOI: 10.7270/Q23B61VW |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
(Homo sapiens (Human)) | BDBM30202
(Pyrrolopyridine, 33)Show SMILES O=C(NC1CCCC1)c1ccc(cc1)-c1cc(ccn1)-c1cc2c(CCNC2=O)[nH]1 Show InChI InChI=1S/C24H24N4O2/c29-23(27-18-3-1-2-4-18)16-7-5-15(6-8-16)21-13-17(9-11-25-21)22-14-19-20(28-22)10-12-26-24(19)30/h5-9,11,13-14,18,28H,1-4,10,12H2,(H,26,30)(H,27,29) | PDB
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| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Dyrk1B (unknown origin) using FITC-Asp-His-Thr-Gly-Phe-Leu-Thr-Glu-Tyr-Val-Ala-Thr-Arg-NH2 as substrate after 60 mins |
J Med Chem 58: 2834-44 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00098
BindingDB Entry DOI: 10.7270/Q23B61VW |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50081179
(CHEMBL3421970)Show SMILES COc1cc(ccc1Nc1nccc(n1)-c1c[nH]c2c(C)nccc12)N1CCN(C)CC1 Show InChI InChI=1S/C24H27N7O/c1-16-23-18(6-8-25-16)19(15-27-23)20-7-9-26-24(28-20)29-21-5-4-17(14-22(21)32-3)31-12-10-30(2)11-13-31/h4-9,14-15,27H,10-13H2,1-3H3,(H,26,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
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UniChem
Similars
| Article
PubMed
| n/a | n/a | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant N-terminal His6-tagged IGF-1R using fluorescence substrate after 80 mins by caliper off-chip incubation mobility shif... |
J Med Chem 58: 2834-44 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00098
BindingDB Entry DOI: 10.7270/Q23B61VW |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50081180
(CHEMBL3421969)Show SMILES COc1cc(ccc1Nc1nccc(n1)-c1c[nH]c2cnc(C)cc12)N1CCN(C)CC1 Show InChI InChI=1S/C24H27N7O/c1-16-12-18-19(14-27-22(18)15-26-16)20-6-7-25-24(28-20)29-21-5-4-17(13-23(21)32-3)31-10-8-30(2)9-11-31/h4-7,12-15,27H,8-11H2,1-3H3,(H,25,28,29) | 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 | 72 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant N-terminal His6-tagged IGF-1R using fluorescence substrate after 80 mins by caliper off-chip incubation mobility shif... |
J Med Chem 58: 2834-44 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00098
BindingDB Entry DOI: 10.7270/Q23B61VW |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
(Homo sapiens (Human)) | BDBM50081179
(CHEMBL3421970)Show SMILES COc1cc(ccc1Nc1nccc(n1)-c1c[nH]c2c(C)nccc12)N1CCN(C)CC1 Show InChI InChI=1S/C24H27N7O/c1-16-23-18(6-8-25-16)19(15-27-23)20-7-9-26-24(28-20)29-21-5-4-17(14-22(21)32-3)31-12-10-30(2)11-13-31/h4-9,14-15,27H,10-13H2,1-3H3,(H,26,28,29) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 83 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human full length C-terminal c-Myc tagged Dyrk1B phosphorylation overexpressed in monkey COS1 cells after 5 hrs by ELISA |
J Med Chem 58: 2834-44 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00098
BindingDB Entry DOI: 10.7270/Q23B61VW |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
(Homo sapiens (Human)) | BDBM50081187
(CHEMBL3421636)Show SMILES CN1CCN(CC1)c1ccc(Nc2cc(ncn2)-c2c[nH]c3ccccc23)cc1 Show InChI InChI=1S/C23H24N6/c1-28-10-12-29(13-11-28)18-8-6-17(7-9-18)27-23-14-22(25-16-26-23)20-15-24-21-5-3-2-4-19(20)21/h2-9,14-16,24H,10-13H2,1H3,(H,25,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
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UniChem
Similars
| Article
PubMed
| n/a | n/a | 85 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Dyrk1B (unknown origin) using FITC-Asp-His-Thr-Gly-Phe-Leu-Thr-Glu-Tyr-Val-Ala-Thr-Arg-NH2 as substrate after 60 mins |
J Med Chem 58: 2834-44 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00098
BindingDB Entry DOI: 10.7270/Q23B61VW |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
(Homo sapiens (Human)) | BDBM50081181
(CHEMBL3421967)Show SMILES COc1cc(ccc1Nc1nccc(n1)-c1c[nH]c2cnccc12)N1CCN(C)CC1 Show InChI InChI=1S/C23H25N7O/c1-29-9-11-30(12-10-29)16-3-4-20(22(13-16)31-2)28-23-25-8-6-19(27-23)18-14-26-21-15-24-7-5-17(18)21/h3-8,13-15,26H,9-12H2,1-2H3,(H,25,27,28) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 85 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human full length C-terminal c-Myc tagged Dyrk1B phosphorylation overexpressed in monkey COS1 cells after 5 hrs by ELISA |
J Med Chem 58: 2834-44 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00098
BindingDB Entry DOI: 10.7270/Q23B61VW |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50550438
(CHEMBL4798388)Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2C(O)=O)c1ccc(C(=O)NC2C3CC4CC2CC(O)(C4)C3)c(OCCC(C)C)n1 |r,wD:7.9,1.0,5.6,TLB:26:25:20.21.22:18,17:18:20:28.27.25,THB:26:25:20:22.23.18,27:21:18:28.25.24,27:25:20.21.22:18,24:25:20:22.23.18,24:23:20:28.27.25,(9.74,-13.04,;10.37,-11.64,;11.83,-12.11,;12.74,-10.87,;11.83,-9.62,;10.37,-10.1,;9.74,-8.69,;9.03,-10.87,;7.49,-10.87,;6.72,-12.2,;6.72,-9.53,;14.27,-10.87,;15.04,-9.53,;16.59,-9.53,;17.36,-10.87,;18.9,-10.87,;19.67,-12.2,;19.67,-9.53,;21.07,-9.14,;22.15,-10.03,;22.37,-11.66,;22.96,-10.32,;21.8,-9.37,;21.52,-7.88,;22.78,-7.21,;23.89,-8.13,;24.77,-6.97,;24.21,-9.63,;23.31,-9.35,;16.59,-12.2,;17.36,-13.53,;18.9,-13.53,;19.67,-14.87,;18.9,-16.2,;19.67,-17.53,;17.36,-16.2,;15.04,-12.2,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of active recombinant human N-terminal His-tagged 11-betaHSD1 expressed in Escherichia coli using cortisone, NADPH and glucose-6-phosphate... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2G73JBM |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
(Homo sapiens (Human)) | BDBM50081176
(CHEMBL3421974)Show SMILES O=C(NC1CCCC1)c1ccc(cc1)-c1nccc(n1)-c1c[nH]c2cnccc12 Show InChI InChI=1S/C23H21N5O/c29-23(27-17-3-1-2-4-17)16-7-5-15(6-8-16)22-25-12-10-20(28-22)19-13-26-21-14-24-11-9-18(19)21/h5-14,17,26H,1-4H2,(H,27,29) | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet
| CHEMBL
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PC sid
UniChem
Similars
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PubMed
| n/a | n/a | 98 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Dyrk1B (unknown origin) using FITC-Asp-His-Thr-Gly-Phe-Leu-Thr-Glu-Tyr-Val-Ala-Thr-Arg-NH2 as substrate after 60 mins |
J Med Chem 58: 2834-44 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00098
BindingDB Entry DOI: 10.7270/Q23B61VW |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
(Homo sapiens (Human)) | BDBM50081173
(CHEMBL3421972)Show SMILES COc1cc(OC2CCN(C)CC2)ccc1Nc1nccc(n1)-c1c[nH]c2cnccc12 Show InChI InChI=1S/C24H26N6O2/c1-30-11-7-16(8-12-30)32-17-3-4-21(23(13-17)31-2)29-24-26-10-6-20(28-24)19-14-27-22-15-25-9-5-18(19)22/h3-6,9-10,13-16,27H,7-8,11-12H2,1-2H3,(H,26,28,29) | PDB
UniProtKB/SwissProt
antibodypedia
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| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Dyrk1B (unknown origin) using FITC-Asp-His-Thr-Gly-Phe-Leu-Thr-Glu-Tyr-Val-Ala-Thr-Arg-NH2 as substrate after 60 mins |
J Med Chem 58: 2834-44 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00098
BindingDB Entry DOI: 10.7270/Q23B61VW |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
(Homo sapiens (Human)) | BDBM100152
(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3 | PDB
UniProtKB/SwissProt
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KEGG
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| Article
PubMed
| n/a | n/a | 166 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged Dyrk1B (unknown origin) expressed in Escherichia coli using [33P]ATP[gammaP]/DYRKtide as substrate after 5 mins by liquid sc... |
J Med Chem 58: 2834-44 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00098
BindingDB Entry DOI: 10.7270/Q23B61VW |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
(Homo sapiens (Human)) | BDBM50081178
(CHEMBL3421971)Show SMILES COc1cc(ccc1Nc1nccc(n1)-c1cn(C)c2c(C)nccc12)N1CCN(C)CC1 Show InChI InChI=1S/C25H29N7O/c1-17-24-19(7-9-26-17)20(16-31(24)3)21-8-10-27-25(28-21)29-22-6-5-18(15-23(22)33-4)32-13-11-30(2)12-14-32/h5-10,15-16H,11-14H2,1-4H3,(H,27,28,29) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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UniChem
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| n/a | n/a | 168 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human full length C-terminal c-Myc tagged Dyrk1B phosphorylation overexpressed in monkey COS1 cells after 5 hrs by ELISA |
J Med Chem 58: 2834-44 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00098
BindingDB Entry DOI: 10.7270/Q23B61VW |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
(Homo sapiens (Human)) | BDBM50081191
(CHEMBL3421978)Show InChI InChI=1S/C19H14N4/c1-2-4-14(5-3-1)6-7-19-21-11-9-17(23-19)16-12-22-18-13-20-10-8-15(16)18/h1-13,22H/b7-6+ | PDB
UniProtKB/SwissProt
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| n/a | n/a | 192 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human full length C-terminal c-Myc tagged Dyrk1B phosphorylation overexpressed in monkey COS1 cells after 5 hrs by ELISA |
J Med Chem 58: 2834-44 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00098
BindingDB Entry DOI: 10.7270/Q23B61VW |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
(Homo sapiens (Human)) | BDBM50081189
(CHEMBL3421980)Show InChI InChI=1S/C19H16N4/c1-14-21-10-8-18(22-14)17-13-23(12-15-5-3-2-4-6-15)19-11-20-9-7-16(17)19/h2-11,13H,12H2,1H3 | PDB
UniProtKB/SwissProt
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| n/a | n/a | 194 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human full length C-terminal c-Myc tagged Dyrk1B phosphorylation overexpressed in monkey COS1 cells after 5 hrs by ELISA |
J Med Chem 58: 2834-44 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00098
BindingDB Entry DOI: 10.7270/Q23B61VW |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic
(Homo sapiens (Human)) | BDBM50550442
(CHEMBL4747862)Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2C(O)=O)c1ccc(C(=O)NC(C)C2C3CC4CC2CC(O)(C4)C3)c(OCCC(C)C)n1 |r,wD:1.0,7.9,5.6,TLB:18:20:26.30.27:22.23.24,18:20:24:26.27.29,30:27:20.21.22:24,THB:29:27:20:22.23.24,29:23:20:26.30.27,30:21:24:26.27.29,(8.81,-18.8,;8.58,-17.29,;10.07,-16.9,;10.17,-15.36,;8.74,-14.8,;7.76,-15.99,;6.47,-15.13,;7.05,-17.35,;5.75,-18.18,;5.81,-19.72,;4.38,-17.47,;11.47,-14.54,;11.4,-13,;12.7,-12.17,;14.07,-12.88,;15.36,-12.05,;16.73,-12.77,;15.3,-10.52,;16.58,-9.7,;16.51,-8.18,;17.94,-10.4,;19.41,-9.93,;19.34,-8.36,;20.31,-7.1,;19,-7.63,;19.07,-9.09,;20.41,-9.52,;21.77,-9.12,;23.24,-9.5,;21.72,-7.61,;20.83,-10.42,;14.13,-14.42,;15.5,-15.13,;16.8,-14.3,;18.16,-15.02,;18.23,-16.55,;16.93,-17.38,;19.59,-17.26,;12.83,-15.25,)| | PDB
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| PC cid
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| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDH1 R132H mutant (unknown origin) using alpha-ketoglutarate and NADPH incubated for 30 mins by fluorescence based assay |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2G73JBM |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic
(Homo sapiens (Human)) | BDBM50550438
(CHEMBL4798388)Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2C(O)=O)c1ccc(C(=O)NC2C3CC4CC2CC(O)(C4)C3)c(OCCC(C)C)n1 |r,wD:7.9,1.0,5.6,TLB:26:25:20.21.22:18,17:18:20:28.27.25,THB:26:25:20:22.23.18,27:21:18:28.25.24,27:25:20.21.22:18,24:25:20:22.23.18,24:23:20:28.27.25,(9.74,-13.04,;10.37,-11.64,;11.83,-12.11,;12.74,-10.87,;11.83,-9.62,;10.37,-10.1,;9.74,-8.69,;9.03,-10.87,;7.49,-10.87,;6.72,-12.2,;6.72,-9.53,;14.27,-10.87,;15.04,-9.53,;16.59,-9.53,;17.36,-10.87,;18.9,-10.87,;19.67,-12.2,;19.67,-9.53,;21.07,-9.14,;22.15,-10.03,;22.37,-11.66,;22.96,-10.32,;21.8,-9.37,;21.52,-7.88,;22.78,-7.21,;23.89,-8.13,;24.77,-6.97,;24.21,-9.63,;23.31,-9.35,;16.59,-12.2,;17.36,-13.53,;18.9,-13.53,;19.67,-14.87,;18.9,-16.2,;19.67,-17.53,;17.36,-16.2,;15.04,-12.2,)| | PDB
KEGG
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antibodypedia
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| PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDH1 R132H mutant (unknown origin) using alpha-ketoglutarate and NADPH incubated for 30 mins by fluorescence based assay |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2G73JBM |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic
(Homo sapiens (Human)) | BDBM50550441
(CHEMBL4790846)Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2C(O)=O)c1ccc(C(=O)NC2C3CC4CC2CC(C4)(C3)OC)c(OCCC(C)C)n1 |r,wD:7.9,1.0,5.6,TLB:22:21:27:24.23.18,22:23:27:20.26.21,THB:26:25:18:20.21.22,26:21:27.25.24:18,28:25:18:20.21.22,17:18:27:20.26.21,(13.54,-13.37,;14.16,-11.97,;15.62,-12.44,;16.53,-11.2,;15.62,-9.95,;14.16,-10.43,;13.54,-9.02,;12.83,-11.2,;11.29,-11.2,;10.52,-12.53,;10.52,-9.86,;18.07,-11.2,;18.84,-9.86,;20.38,-9.86,;21.15,-11.2,;22.69,-11.2,;23.46,-12.53,;23.46,-9.86,;24.86,-9.47,;25.95,-10.36,;27.1,-9.68,;27.68,-8.46,;26.57,-7.54,;25.32,-8.21,;25.59,-9.7,;26.75,-10.65,;28,-9.96,;26.16,-11.99,;27.77,-11.67,;27.4,-13.07,;20.38,-12.53,;21.15,-13.86,;22.69,-13.86,;23.46,-15.2,;22.69,-16.53,;23.46,-17.86,;21.15,-16.53,;18.84,-12.53,)| | PDB
KEGG
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| PC cid
PC sid
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| PubMed
| n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDH1 R132H mutant (unknown origin) using alpha-ketoglutarate and NADPH incubated for 30 mins by fluorescence based assay |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2G73JBM |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
(Homo sapiens (Human)) | BDBM50081185
(CHEMBL3421963)Show SMILES COc1cc(ccc1Nc1cc(ncn1)-c1c[nH]c2cnccc12)N1CCN(C)CC1 Show InChI InChI=1S/C23H25N7O/c1-29-7-9-30(10-8-29)16-3-4-19(22(11-16)31-2)28-23-12-20(26-15-27-23)18-13-25-21-14-24-6-5-17(18)21/h3-6,11-15,25H,7-10H2,1-2H3,(H,26,27,28) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 282 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human full length C-terminal c-Myc tagged Dyrk1B phosphorylation overexpressed in monkey COS1 cells after 5 hrs by ELISA |
J Med Chem 58: 2834-44 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00098
BindingDB Entry DOI: 10.7270/Q23B61VW |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50081188
(CHEMBL3421981)Show InChI InChI=1S/C14H10N4/c1-4-15-8-13-10(1)12(7-18-13)9-2-5-16-14-11(9)3-6-17-14/h1-8,18H,(H,16,17) | 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 | 314 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant full length C-terminal His6-tagged CDK2 expressed in baculovirus infected Sf21 insect cells using fluorescence substr... |
J Med Chem 58: 2834-44 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00098
BindingDB Entry DOI: 10.7270/Q23B61VW |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
(Homo sapiens (Human)) | BDBM50081188
(CHEMBL3421981)Show InChI InChI=1S/C14H10N4/c1-4-15-8-13-10(1)12(7-18-13)9-2-5-16-14-11(9)3-6-17-14/h1-8,18H,(H,16,17) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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UniChem
Similars
| Article
PubMed
| n/a | n/a | 378 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human full length C-terminal c-Myc tagged Dyrk1B phosphorylation overexpressed in monkey COS1 cells after 5 hrs by ELISA |
J Med Chem 58: 2834-44 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00098
BindingDB Entry DOI: 10.7270/Q23B61VW |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
(Homo sapiens (Human)) | BDBM50081186
(CHEMBL3421962)Show SMILES CN1CCN(CC1)c1ccc(Nc2cc(ncn2)-c2c[nH]c3cnccc23)cc1 Show InChI InChI=1S/C22H23N7/c1-28-8-10-29(11-9-28)17-4-2-16(3-5-17)27-22-12-20(25-15-26-22)19-13-24-21-14-23-7-6-18(19)21/h2-7,12-15,24H,8-11H2,1H3,(H,25,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 453 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human full length C-terminal c-Myc tagged Dyrk1B phosphorylation overexpressed in monkey COS1 cells after 5 hrs by ELISA |
J Med Chem 58: 2834-44 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00098
BindingDB Entry DOI: 10.7270/Q23B61VW |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic
(Homo sapiens (Human)) | BDBM50550438
(CHEMBL4798388)Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2C(O)=O)c1ccc(C(=O)NC2C3CC4CC2CC(O)(C4)C3)c(OCCC(C)C)n1 |r,wD:7.9,1.0,5.6,TLB:26:25:20.21.22:18,17:18:20:28.27.25,THB:26:25:20:22.23.18,27:21:18:28.25.24,27:25:20.21.22:18,24:25:20:22.23.18,24:23:20:28.27.25,(9.74,-13.04,;10.37,-11.64,;11.83,-12.11,;12.74,-10.87,;11.83,-9.62,;10.37,-10.1,;9.74,-8.69,;9.03,-10.87,;7.49,-10.87,;6.72,-12.2,;6.72,-9.53,;14.27,-10.87,;15.04,-9.53,;16.59,-9.53,;17.36,-10.87,;18.9,-10.87,;19.67,-12.2,;19.67,-9.53,;21.07,-9.14,;22.15,-10.03,;22.37,-11.66,;22.96,-10.32,;21.8,-9.37,;21.52,-7.88,;22.78,-7.21,;23.89,-8.13,;24.77,-6.97,;24.21,-9.63,;23.31,-9.35,;16.59,-12.2,;17.36,-13.53,;18.9,-13.53,;19.67,-14.87,;18.9,-16.2,;19.67,-17.53,;17.36,-16.2,;15.04,-12.2,)| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 470 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDH1 R132C mutant (unknown origin) using alpha-ketoglutarate and NADPH incubated for 30 mins by fluorescence based assay |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2G73JBM |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50081186
(CHEMBL3421962)Show SMILES CN1CCN(CC1)c1ccc(Nc2cc(ncn2)-c2c[nH]c3cnccc23)cc1 Show InChI InChI=1S/C22H23N7/c1-28-8-10-29(11-9-28)17-4-2-16(3-5-17)27-22-12-20(25-15-26-22)19-13-24-21-14-23-7-6-18(19)21/h2-7,12-15,24H,8-11H2,1H3,(H,25,26,27) | 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 | 577 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant full length C-terminal His6-tagged CDK2 expressed in baculovirus infected Sf21 insect cells using fluorescence substr... |
J Med Chem 58: 2834-44 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00098
BindingDB Entry DOI: 10.7270/Q23B61VW |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic
(Homo sapiens (Human)) | BDBM50550483
(CHEMBL4751940)Show SMILES Cc1ccccc1COc1nc(ccc1C(=O)NC1C2CC3CC1CC(O)(C3)C2)N1CCC[C@@H](CC(O)=O)C1 |r,wU:33.38,TLB:28:25:18.19.20:22,17:18:22:24.25.27,THB:28:19:22:24.25.27,27:25:18:20.21.22,27:21:18:24.28.25,26:25:18:20.21.22,26:25:18.19.20:22,(19.28,-17.93,;20.6,-17.13,;21.95,-17.87,;23.27,-17.07,;23.23,-15.53,;21.89,-14.78,;20.57,-15.58,;19.22,-14.84,;17.9,-15.64,;16.55,-14.9,;15.23,-15.7,;13.88,-14.95,;13.85,-13.41,;15.16,-12.61,;16.51,-13.36,;17.84,-12.56,;19.18,-13.3,;17.81,-11.02,;19.07,-10.29,;20.49,-9.86,;20.45,-8.36,;21.41,-7.17,;20.14,-7.65,;20.18,-9.06,;21.45,-9.5,;22.76,-9.14,;24.22,-9.05,;22.74,-7.69,;21.83,-10.37,;12.56,-15.75,;12.6,-17.29,;11.27,-18.08,;9.92,-17.34,;9.9,-15.8,;8.56,-15.06,;8.53,-13.52,;9.85,-12.73,;7.19,-12.78,;11.21,-15.01,)| | PDB
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 690 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDH1 R132H mutant (unknown origin) using alpha-ketoglutarate and NADPH incubated for 30 mins by fluorescence based assay |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2G73JBM |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50081174
(CHEMBL3421968)Show SMILES COc1cc(ccc1Nc1nccc(n1)-c1cn(C)c2cnccc12)N1CCN(C)CC1 Show InChI InChI=1S/C24H27N7O/c1-29-10-12-31(13-11-29)17-4-5-21(23(14-17)32-3)28-24-26-9-7-20(27-24)19-16-30(2)22-15-25-8-6-18(19)22/h4-9,14-16H,10-13H2,1-3H3,(H,26,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
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Similars
| Article
PubMed
| n/a | n/a | 779 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant N-terminal His6-tagged IGF-1R using fluorescence substrate after 80 mins by caliper off-chip incubation mobility shif... |
J Med Chem 58: 2834-44 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00098
BindingDB Entry DOI: 10.7270/Q23B61VW |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
(Homo sapiens (Human)) | BDBM50081193
(CHEMBL3421976)Show SMILES Cn1cc(-c2ccnc(n2)-c2ccc(cc2)S(C)(=O)=O)c2ccncc12 Show InChI InChI=1S/C19H16N4O2S/c1-23-12-16(15-7-9-20-11-18(15)23)17-8-10-21-19(22-17)13-3-5-14(6-4-13)26(2,24)25/h3-12H,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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UniChem
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| Article
PubMed
| n/a | n/a | 810 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human full length C-terminal c-Myc tagged Dyrk1B phosphorylation overexpressed in monkey COS1 cells after 5 hrs by ELISA |
J Med Chem 58: 2834-44 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00098
BindingDB Entry DOI: 10.7270/Q23B61VW |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic
(Homo sapiens (Human)) | BDBM50550477
(CHEMBL4796479)Show SMILES CC(C)CCOc1nc(Nc2csc(n2)C(O)=O)ccc1C(=O)NC1C2CC3CC1CC(O)(C3)C2 |TLB:34:31:24.25.26:28,23:24:28:30.31.33,THB:34:25:28:30.31.33,33:31:24:26.27.28,33:27:24:30.34.31,32:31:24:26.27.28,32:31:24.25.26:28,(21.29,-15.61,;19.95,-14.86,;18.62,-15.65,;19.93,-13.31,;18.58,-12.56,;18.56,-11.02,;17.21,-10.26,;15.89,-11.05,;14.54,-10.3,;13.21,-11.09,;11.86,-10.33,;11.68,-8.8,;10.17,-8.5,;9.41,-9.84,;10.46,-10.98,;7.88,-10.03,;6.95,-8.79,;7.26,-11.44,;14.52,-8.75,;15.84,-7.96,;17.2,-8.72,;18.52,-7.93,;18.49,-6.38,;19.87,-8.68,;21.11,-7.93,;22.53,-7.53,;22.53,-6.03,;23.51,-4.87,;22.24,-5.32,;22.24,-6.72,;23.5,-7.18,;24.82,-6.86,;26.27,-6.8,;24.83,-5.41,;23.86,-8.06,)| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 810 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDH1 R132H mutant (unknown origin) using alpha-ketoglutarate and NADPH incubated for 30 mins by fluorescence based assay |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2G73JBM |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic
(Homo sapiens (Human)) | BDBM50550443
(CHEMBL4747823)Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2C(O)=O)c1ccc(C(=O)NC(C)C2C3CC4CC2CC(C4)(C3)OC(F)F)c(OCCC(C)C)n1 |r,wD:1.0,7.9,5.6,TLB:18:20:26.29.27:22.23.24,18:20:24:26.27.28,29:27:20.21.22:24,THB:28:27:20:22.23.24,28:23:20:26.29.27,29:21:24:26.27.28,(8.81,-18.8,;8.58,-17.29,;10.07,-16.9,;10.17,-15.36,;8.74,-14.8,;7.76,-15.99,;6.47,-15.13,;7.05,-17.35,;5.75,-18.18,;5.81,-19.72,;4.38,-17.47,;11.47,-14.54,;11.4,-13,;12.7,-12.17,;14.07,-12.88,;15.36,-12.05,;16.73,-12.77,;15.3,-10.52,;16.58,-9.7,;16.51,-8.18,;17.94,-10.4,;19.41,-9.93,;19.34,-8.36,;20.31,-7.1,;19,-7.63,;19.07,-9.09,;20.41,-9.52,;21.77,-9.12,;21.72,-7.61,;20.83,-10.42,;23.24,-9.5,;24.31,-8.42,;25.79,-8.81,;23.91,-6.95,;14.13,-14.42,;15.5,-15.13,;16.8,-14.3,;18.16,-15.02,;18.23,-16.55,;16.93,-17.38,;19.59,-17.26,;12.83,-15.25,)| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 860 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDH1 R132H mutant (unknown origin) using alpha-ketoglutarate and NADPH incubated for 30 mins by fluorescence based assay |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2G73JBM |
More data for this
Ligand-Target Pair | |
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