Found 2801 hits with Last Name = 'mcintyre' and Initial = 'kw' 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 |
|---|
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50526620
(CHEMBL4460368)Show SMILES CNc1cc(Nc2cccn(-c3cc(C)n(C)n3)c2=O)nn2c(cnc12)C(=O)N[C@@H]1C[C@@H]1F |r| Show InChI InChI=1S/C21H22FN9O2/c1-11-7-18(28-29(11)3)30-6-4-5-13(21(30)33)25-17-9-15(23-2)19-24-10-16(31(19)27-17)20(32)26-14-8-12(14)22/h4-7,9-10,12,14,23H,8H2,1-3H3,(H,25,27)(H,26,32)/t12-,14+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of fluorescein-labeled kinase tracer binding to His-TVMV-fused TYK2 JH2 domain (575 to 869 residues) (unknown origin) measured after 90 mi... |
ACS Med Chem Lett 10: 383-388 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00035
BindingDB Entry DOI: 10.7270/Q2TM7FKX |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50526622
(CHEMBL4442827)Show SMILES CNc1cc(Nc2cccn(-c3ccc(C)nn3)c2=O)nn2c(cnc12)C(=O)N[C@@H]1C[C@@H]1F |r| Show InChI InChI=1S/C21H20FN9O2/c1-11-5-6-18(28-27-11)30-7-3-4-13(21(30)33)25-17-9-15(23-2)19-24-10-16(31(19)29-17)20(32)26-14-8-12(14)22/h3-7,9-10,12,14,23H,8H2,1-2H3,(H,25,29)(H,26,32)/t12-,14+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of fluorescein-labeled kinase tracer binding to His-TVMV-fused TYK2 JH2 domain (575 to 869 residues) (unknown origin) measured after 90 mi... |
ACS Med Chem Lett 10: 383-388 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00035
BindingDB Entry DOI: 10.7270/Q2TM7FKX |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50507816
(Bms-986165 | Deucravacitinib)Show SMILES [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC Show InChI InChI=1S/C20H22N8O3/c1-21-20(30)16-14(9-15(25-26-16)24-19(29)11-7-8-11)23-13-6-4-5-12(17(13)31-3)18-22-10-28(2)27-18/h4-6,9-11H,7-8H2,1-3H3,(H,21,30)(H2,23,24,25,29) | PDB
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MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of fluorescein labeled probe binding to His-tagged human TYK2 pseudokinase domain (575-869 residues) by Morrison titration based HTRF assa... |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50565986
(CHEMBL4789639)Show SMILES [2H]C([2H])([2H])NC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncc(F)cn2)c1OC | PDB
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PC cid
PC sid
UniChem
| Article
PubMed
| 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of TYK2 JH2 domain (unknown origin) by HTRF assay based Morrison titration analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01698
BindingDB Entry DOI: 10.7270/Q2XW4PJX |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50526613
(CHEMBL4571920)Show SMILES CNc1cc(Nc2cccn(-c3cccc(F)n3)c2=O)nn2c(cnc12)C(=O)N[C@@H]1C[C@@H]1F |r| Show InChI InChI=1S/C21H18F2N8O2/c1-24-14-9-17(29-31-15(10-25-19(14)31)20(32)27-13-8-11(13)22)26-12-4-3-7-30(21(12)33)18-6-2-5-16(23)28-18/h2-7,9-11,13,24H,8H2,1H3,(H,26,29)(H,27,32)/t11-,13+/m0/s1 | PDB
KEGG
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AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0240 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of fluorescein-labeled kinase tracer binding to His-TVMV-fused TYK2 JH2 domain (575 to 869 residues) (unknown origin) measured after 90 mi... |
ACS Med Chem Lett 10: 383-388 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00035
BindingDB Entry DOI: 10.7270/Q2TM7FKX |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50526619
(CHEMBL4439957)Show SMILES CNc1cc(Nc2cccn(-c3ccc(F)cn3)c2=O)nn2c(cnc12)C(=O)N[C@@H]1C[C@@H]1F |r| Show InChI InChI=1S/C21H18F2N8O2/c1-24-15-8-17(29-31-16(10-26-19(15)31)20(32)28-14-7-12(14)23)27-13-3-2-6-30(21(13)33)18-5-4-11(22)9-25-18/h2-6,8-10,12,14,24H,7H2,1H3,(H,27,29)(H,28,32)/t12-,14+/m0/s1 | PDB
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UniProtKB/SwissProt
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GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of fluorescein-labeled kinase tracer binding to His-TVMV-fused TYK2 JH2 domain (575 to 869 residues) (unknown origin) measured after 90 mi... |
ACS Med Chem Lett 10: 383-388 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00035
BindingDB Entry DOI: 10.7270/Q2TM7FKX |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM16318
(3-({5-cyano-6-[(2,2-dimethylpropyl)(methyl)amino]-...)Show SMILES CNc1nc(Nc2cc(ccc2C)C(=O)NOC)c(C#N)c(n1)N(C)CC(C)(C)C Show InChI InChI=1S/C21H29N7O2/c1-13-8-9-14(19(29)27-30-7)10-16(13)24-17-15(11-22)18(26-20(23-5)25-17)28(6)12-21(2,3)4/h8-10H,12H2,1-7H3,(H,27,29)(H2,23,24,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.0470 | -58.4 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
Bristol-Myers Squibb Company
| Assay Description
The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i... |
J Med Chem 48: 6261-70 (2005)
Article DOI: 10.1021/jm0503594
BindingDB Entry DOI: 10.7270/Q25X276T |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM16319
(3-({2-amino-5-cyano-6-[(2,2-dimethylpropyl)(methyl...)Show SMILES CONC(=O)c1ccc(C)c(Nc2nc(N)nc(N(C)CC(C)(C)C)c2C#N)c1 Show InChI InChI=1S/C20H27N7O2/c1-12-7-8-13(18(28)26-29-6)9-15(12)23-16-14(10-21)17(25-19(22)24-16)27(5)11-20(2,3)4/h7-9H,11H2,1-6H3,(H,26,28)(H3,22,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0500 | -58.2 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
Bristol-Myers Squibb Company
| Assay Description
The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i... |
J Med Chem 48: 6261-70 (2005)
Article DOI: 10.1021/jm0503594
BindingDB Entry DOI: 10.7270/Q25X276T |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM16317
(3-({5-cyano-6-[(2,2-dimethylpropyl)(methyl)amino]-...)Show SMILES CONC(=O)c1ccc(C)c(Nc2nc(nc(N(C)CC(C)(C)C)c2C#N)N2CCCN(C)CC2)c1 Show InChI InChI=1S/C26H38N8O2/c1-18-9-10-19(24(35)31-36-7)15-21(18)28-22-20(16-27)23(33(6)17-26(2,3)4)30-25(29-22)34-12-8-11-32(5)13-14-34/h9-10,15H,8,11-14,17H2,1-7H3,(H,31,35)(H,28,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.0570 | -57.9 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
Bristol-Myers Squibb Company
| Assay Description
The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i... |
J Med Chem 48: 6261-70 (2005)
Article DOI: 10.1021/jm0503594
BindingDB Entry DOI: 10.7270/Q25X276T |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM16329
(3-({2-amino-5-cyano-6-[(1-methylethyl)amino]pyrimi...)Show SMILES CC(C)Nc1nc(N)nc(Nc2cc(ccc2C)C(=O)Nc2ccon2)c1C#N Show InChI InChI=1S/C19H20N8O2/c1-10(2)22-16-13(9-20)17(26-19(21)25-16)23-14-8-12(5-4-11(14)3)18(28)24-15-6-7-29-27-15/h4-8,10H,1-3H3,(H,24,27,28)(H4,21,22,23,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
GoogleScholar
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| Purchase
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0570 | -57.9 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
Bristol-Myers Squibb Company
| Assay Description
The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i... |
J Med Chem 48: 6261-70 (2005)
Article DOI: 10.1021/jm0503594
BindingDB Entry DOI: 10.7270/Q25X276T |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50530394
(CHEMBL4561663)Show SMILES NC(=O)c1ccccc1Nc1cc(Nc2ccc(F)cn2)ncc1C(N)=O Show InChI InChI=1S/C18H15FN6O2/c19-10-5-6-15(22-8-10)25-16-7-14(12(9-23-16)18(21)27)24-13-4-2-1-3-11(13)17(20)26/h1-9H,(H2,20,26)(H2,21,27)(H2,22,23,24,25) | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of TYK2 JH2 (unknown origin) by morrison titration assay |
J Med Chem 62: 8953-8972 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00443
BindingDB Entry DOI: 10.7270/Q2W95DMQ |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50530394
(CHEMBL4561663)Show SMILES NC(=O)c1ccccc1Nc1cc(Nc2ccc(F)cn2)ncc1C(N)=O Show InChI InChI=1S/C18H15FN6O2/c19-10-5-6-15(22-8-10)25-16-7-14(12(9-23-16)18(21)27)24-13-4-2-1-3-11(13)17(20)26/h1-9H,(H2,20,26)(H2,21,27)(H2,22,23,24,25) | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of TYK2 JH2 (unknown origin) by morrison titration assay |
J Med Chem 62: 8953-8972 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00443
BindingDB Entry DOI: 10.7270/Q2W95DMQ |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50526615
(CHEMBL4434711)Show SMILES CNc1cc(Nc2cccn(-c3ccc(cc3)C(C)(C)O)c2=O)nn2c(cnc12)C(=O)NC1CC1 Show InChI InChI=1S/C25H27N7O3/c1-25(2,35)15-6-10-17(11-7-15)31-12-4-5-18(24(31)34)29-21-13-19(26-3)22-27-14-20(32(22)30-21)23(33)28-16-8-9-16/h4-7,10-14,16,26,35H,8-9H2,1-3H3,(H,28,33)(H,29,30) | PDB
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AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of fluorescein-labeled kinase tracer binding to His-TVMV-fused TYK2 JH2 domain (575 to 869 residues) (unknown origin) measured after 90 mi... |
ACS Med Chem Lett 10: 383-388 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00035
BindingDB Entry DOI: 10.7270/Q2TM7FKX |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50519523
(CHEMBL4440718)Show SMILES [2H]C([2H])([2H])NC(=O)c1nnc(Nc2ccccn2)cc1Nc1ccccc1S(C)(=O)=O Show InChI InChI=1S/C18H18N6O3S/c1-19-18(25)17-13(21-12-7-3-4-8-14(12)28(2,26)27)11-16(23-24-17)22-15-9-5-6-10-20-15/h3-11H,1-2H3,(H,19,25)(H2,20,21,22,23) | PDB
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MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 0.0700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of TYK2 JH2 (unknown origin) by morrison titration assay |
J Med Chem 62: 8953-8972 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00443
BindingDB Entry DOI: 10.7270/Q2W95DMQ |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50519523
(CHEMBL4440718)Show SMILES [2H]C([2H])([2H])NC(=O)c1nnc(Nc2ccccn2)cc1Nc1ccccc1S(C)(=O)=O Show InChI InChI=1S/C18H18N6O3S/c1-19-18(25)17-13(21-12-7-3-4-8-14(12)28(2,26)27)11-16(23-24-17)22-15-9-5-6-10-20-15/h3-11H,1-2H3,(H,19,25)(H2,20,21,22,23) | PDB
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PC cid
PC sid
UniChem
| Article
PubMed
| 0.0700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of TYK2 JH2 (unknown origin) by morrison titration assay |
J Med Chem 62: 8953-8972 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00443
BindingDB Entry DOI: 10.7270/Q2W95DMQ |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50526606
(CHEMBL4532948 | US11174264, Compound I-3)Show SMILES CNc1cc(Nc2cccn(-c3ccccn3)c2=O)nn2c(cnc12)C(=O)N[C@@H]1C[C@@H]1F |r| Show InChI InChI=1S/C21H19FN8O2/c1-23-15-10-17(26-13-5-4-8-29(21(13)32)18-6-2-3-7-24-18)28-30-16(11-25-19(15)30)20(31)27-14-9-12(14)22/h2-8,10-12,14,23H,9H2,1H3,(H,26,28)(H,27,31)/t12-,14+/m0/s1 | PDB
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MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 0.0860 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of fluorescein-labeled kinase tracer binding to His-TVMV-fused TYK2 JH2 domain (575 to 869 residues) (unknown origin) measured after 90 mi... |
ACS Med Chem Lett 10: 383-388 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00035
BindingDB Entry DOI: 10.7270/Q2TM7FKX |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50526624
(CHEMBL4443010)Show SMILES CNc1cc(Nc2cccn(-c3ccc(C)nn3)c2=O)nn2c(cnc12)C(=O)NC1CC1 Show InChI InChI=1S/C21H21N9O2/c1-12-5-8-18(27-26-12)29-9-3-4-14(21(29)32)25-17-10-15(22-2)19-23-11-16(30(19)28-17)20(31)24-13-6-7-13/h3-5,8-11,13,22H,6-7H2,1-2H3,(H,24,31)(H,25,28) | PDB
KEGG
UniProtKB/SwissProt
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GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0910 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of fluorescein-labeled kinase tracer binding to His-TVMV-fused TYK2 JH2 domain (575 to 869 residues) (unknown origin) measured after 90 mi... |
ACS Med Chem Lett 10: 383-388 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00035
BindingDB Entry DOI: 10.7270/Q2TM7FKX |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50526617
(CHEMBL4435047)Show SMILES CNc1cc(Nc2cccn(-c3ncccc3F)c2=O)nn2c(cnc12)C(=O)NC1CC1 Show InChI InChI=1S/C21H19FN8O2/c1-23-15-10-17(28-30-16(11-25-19(15)30)20(31)26-12-6-7-12)27-14-5-3-9-29(21(14)32)18-13(22)4-2-8-24-18/h2-5,8-12,23H,6-7H2,1H3,(H,26,31)(H,27,28) | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| 0.120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of fluorescein-labeled kinase tracer binding to His-TVMV-fused TYK2 JH2 domain (575 to 869 residues) (unknown origin) measured after 90 mi... |
ACS Med Chem Lett 10: 383-388 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00035
BindingDB Entry DOI: 10.7270/Q2TM7FKX |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50526603
(CHEMBL4293907)Show SMILES CNc1cc(Nc2cc(C)cc(C)c2)nn2c(cnc12)C(=O)NC1CC1 Show InChI InChI=1S/C19H22N6O/c1-11-6-12(2)8-14(7-11)22-17-9-15(20-3)18-21-10-16(25(18)24-17)19(26)23-13-4-5-13/h6-10,13,20H,4-5H2,1-3H3,(H,22,24)(H,23,26) | PDB
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| PC cid
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UniChem
| Article
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| 0.130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of fluorescein-labeled kinase tracer binding to His-TVMV-fused TYK2 JH2 domain (575 to 869 residues) (unknown origin) measured after 90 mi... |
ACS Med Chem Lett 10: 383-388 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00035
BindingDB Entry DOI: 10.7270/Q2TM7FKX |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50526621
(CHEMBL4438107)Show SMILES CNc1cc(Nc2cccn(-c3ccccn3)c2=O)nn2c(cnc12)C(=O)NC(C)C Show InChI InChI=1S/C21H22N8O2/c1-13(2)25-20(30)16-12-24-19-15(22-3)11-17(27-29(16)19)26-14-7-6-10-28(21(14)31)18-8-4-5-9-23-18/h4-13,22H,1-3H3,(H,25,30)(H,26,27) | PDB
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| Article
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| 0.130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of fluorescein-labeled kinase tracer binding to His-TVMV-fused TYK2 JH2 domain (575 to 869 residues) (unknown origin) measured after 90 mi... |
ACS Med Chem Lett 10: 383-388 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00035
BindingDB Entry DOI: 10.7270/Q2TM7FKX |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50526607
(CHEMBL4474801)Show SMILES CNc1cc(Nc2cccn(-c3ccc(F)nc3)c2=O)nn2c(cnc12)C(=O)NC1CC1 Show InChI InChI=1S/C21H19FN8O2/c1-23-15-9-18(28-30-16(11-25-19(15)30)20(31)26-12-4-5-12)27-14-3-2-8-29(21(14)32)13-6-7-17(22)24-10-13/h2-3,6-12,23H,4-5H2,1H3,(H,26,31)(H,27,28) | PDB
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| PC cid
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UniChem
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| 0.140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of fluorescein-labeled kinase tracer binding to His-TVMV-fused TYK2 JH2 domain (575 to 869 residues) (unknown origin) measured after 90 mi... |
ACS Med Chem Lett 10: 383-388 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00035
BindingDB Entry DOI: 10.7270/Q2TM7FKX |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50526604
(CHEMBL4561123)Show SMILES CNc1cc(Nc2cccn(-c3ccc(F)cn3)c2=O)nn2c(cnc12)C(=O)NC1CC1 Show InChI InChI=1S/C21H19FN8O2/c1-23-15-9-17(28-30-16(11-25-19(15)30)20(31)26-13-5-6-13)27-14-3-2-8-29(21(14)32)18-7-4-12(22)10-24-18/h2-4,7-11,13,23H,5-6H2,1H3,(H,26,31)(H,27,28) | PDB
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| 0.150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of fluorescein-labeled kinase tracer binding to His-TVMV-fused TYK2 JH2 domain (575 to 869 residues) (unknown origin) measured after 90 mi... |
ACS Med Chem Lett 10: 383-388 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00035
BindingDB Entry DOI: 10.7270/Q2TM7FKX |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM16320
(3-({5-cyano-6-[(2,2-dimethylpropyl)(methyl)amino]p...)Show SMILES CONC(=O)c1ccc(C)c(Nc2ncnc(N(C)CC(C)(C)C)c2C#N)c1 Show InChI InChI=1S/C20H26N6O2/c1-13-7-8-14(19(27)25-28-6)9-16(13)24-17-15(10-21)18(23-12-22-17)26(5)11-20(2,3)4/h7-9,12H,11H2,1-6H3,(H,25,27)(H,22,23,24) | PDB
MMDB
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| 0.150 | -55.5 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
Bristol-Myers Squibb Company
| Assay Description
The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i... |
J Med Chem 48: 6261-70 (2005)
Article DOI: 10.1021/jm0503594
BindingDB Entry DOI: 10.7270/Q25X276T |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM16330
(3-{[2-amino-5-cyano-6-(cyclopentylamino)pyrimidin-...)Show SMILES Cc1ccc(cc1Nc1nc(N)nc(NC2CCCC2)c1C#N)C(=O)Nc1ccon1 Show InChI InChI=1S/C21H22N8O2/c1-12-6-7-13(20(30)26-17-8-9-31-29-17)10-16(12)25-19-15(11-22)18(27-21(23)28-19)24-14-4-2-3-5-14/h6-10,14H,2-5H2,1H3,(H,26,29,30)(H4,23,24,25,27,28) | PDB
MMDB
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Similars
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| 0.160 | -55.3 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
Bristol-Myers Squibb Company
| Assay Description
The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i... |
J Med Chem 48: 6261-70 (2005)
Article DOI: 10.1021/jm0503594
BindingDB Entry DOI: 10.7270/Q25X276T |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50376226
(CHEMBL259922)Show SMILES Cc1ccc(cc1Nc1ncnc2n(ncc12)-c1ccccc1)C(=O)Nc1ccon1 Show InChI InChI=1S/C22H17N7O2/c1-14-7-8-15(22(30)27-19-9-10-31-28-19)11-18(14)26-20-17-12-25-29(21(17)24-13-23-20)16-5-3-2-4-6-16/h2-13H,1H3,(H,23,24,26)(H,27,28,30) | PDB
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| CHEMBL
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UniChem
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| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant p38alpha-mediated myelin basic protein phosphorylation |
Bioorg Med Chem Lett 18: 2652-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.019
BindingDB Entry DOI: 10.7270/Q2C53MR6 |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50526610
(CHEMBL4453441)Show SMILES CNc1cc(Nc2cccn(-c3ccc(cc3)C#N)c2=O)nn2c(cnc12)C(=O)NC1CC1 Show InChI InChI=1S/C23H20N8O2/c1-25-18-11-20(29-31-19(13-26-21(18)31)22(32)27-15-6-7-15)28-17-3-2-10-30(23(17)33)16-8-4-14(12-24)5-9-16/h2-5,8-11,13,15,25H,6-7H2,1H3,(H,27,32)(H,28,29) | PDB
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| PDB
Article
PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of fluorescein-labeled kinase tracer binding to His-TVMV-fused TYK2 JH2 domain (575 to 869 residues) (unknown origin) measured after 90 mi... |
ACS Med Chem Lett 10: 383-388 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00035
BindingDB Entry DOI: 10.7270/Q2TM7FKX |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50376226
(CHEMBL259922)Show SMILES Cc1ccc(cc1Nc1ncnc2n(ncc12)-c1ccccc1)C(=O)Nc1ccon1 Show InChI InChI=1S/C22H17N7O2/c1-14-7-8-15(22(30)27-19-9-10-31-28-19)11-18(14)26-20-17-12-25-29(21(17)24-13-23-20)16-5-3-2-4-6-16/h2-13H,1H3,(H,23,24,26)(H,27,28,30) | PDB
MMDB
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Reactome pathway
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| CHEMBL
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UniChem
Similars
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| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant p38alpha-mediated myelin basic protein phosphorylation |
Bioorg Med Chem Lett 18: 2652-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.019
BindingDB Entry DOI: 10.7270/Q2C53MR6 |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50526616
(CHEMBL4579439)Show SMILES CNc1cc(Nc2cccn(-c3cccc(F)n3)c2=O)nn2c(cnc12)C(=O)NC1CC1 Show InChI InChI=1S/C21H19FN8O2/c1-23-14-10-17(28-30-15(11-24-19(14)30)20(31)25-12-7-8-12)26-13-4-3-9-29(21(13)32)18-6-2-5-16(22)27-18/h2-6,9-12,23H,7-8H2,1H3,(H,25,31)(H,26,28) | PDB
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| 0.220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of fluorescein-labeled kinase tracer binding to His-TVMV-fused TYK2 JH2 domain (575 to 869 residues) (unknown origin) measured after 90 mi... |
ACS Med Chem Lett 10: 383-388 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00035
BindingDB Entry DOI: 10.7270/Q2TM7FKX |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50526605
(CHEMBL4438296)Show SMILES CNc1cc(Nc2cccn(-c3ccccn3)c2=O)nn2c(cnc12)C(=O)NC1CCC1 Show InChI InChI=1S/C22H22N8O2/c1-23-16-12-18(27-15-8-5-11-29(22(15)32)19-9-2-3-10-24-19)28-30-17(13-25-20(16)30)21(31)26-14-6-4-7-14/h2-3,5,8-14,23H,4,6-7H2,1H3,(H,26,31)(H,27,28) | PDB
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| 0.260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of fluorescein-labeled kinase tracer binding to His-TVMV-fused TYK2 JH2 domain (575 to 869 residues) (unknown origin) measured after 90 mi... |
ACS Med Chem Lett 10: 383-388 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00035
BindingDB Entry DOI: 10.7270/Q2TM7FKX |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50526611
(CHEMBL4585272)Show SMILES CNc1cc(Nc2cccn(-c3ccncc3)c2=O)nn2c(cnc12)C(=O)NC1CC1 Show InChI InChI=1S/C21H20N8O2/c1-22-16-11-18(27-29-17(12-24-19(16)29)20(30)25-13-4-5-13)26-15-3-2-10-28(21(15)31)14-6-8-23-9-7-14/h2-3,6-13,22H,4-5H2,1H3,(H,25,30)(H,26,27) | PDB
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| 0.290 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of fluorescein-labeled kinase tracer binding to His-TVMV-fused TYK2 JH2 domain (575 to 869 residues) (unknown origin) measured after 90 mi... |
ACS Med Chem Lett 10: 383-388 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00035
BindingDB Entry DOI: 10.7270/Q2TM7FKX |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50526612
(CHEMBL4543066)Show SMILES CNc1cc(Nc2cccn(-c3ccccn3)c2=O)nn2c(cnc12)C(=O)NCC(C)(C)CO Show InChI InChI=1S/C23H26N8O3/c1-23(2,14-32)13-27-21(33)17-12-26-20-16(24-3)11-18(29-31(17)20)28-15-7-6-10-30(22(15)34)19-8-4-5-9-25-19/h4-12,24,32H,13-14H2,1-3H3,(H,27,33)(H,28,29) | PDB
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| 0.290 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of fluorescein-labeled kinase tracer binding to His-TVMV-fused TYK2 JH2 domain (575 to 869 residues) (unknown origin) measured after 90 mi... |
ACS Med Chem Lett 10: 383-388 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00035
BindingDB Entry DOI: 10.7270/Q2TM7FKX |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM21281
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r| Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1 | PDB
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| PDB
Article
PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Binding affinity of compound was determined against to human cannabinoid receptor 2 in chinese hamster ovary cells |
J Med Chem 46: 2110-6 (2003)
Article DOI: 10.1021/jm020329q
BindingDB Entry DOI: 10.7270/Q2J67HPG |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50526608
(CHEMBL4547009)Show SMILES CNc1cc(Nc2cccn(C3CC3)c2=O)nn2c(cnc12)C(=O)NC1CC1 Show InChI InChI=1S/C19H21N7O2/c1-20-14-9-16(23-13-3-2-8-25(19(13)28)12-6-7-12)24-26-15(10-21-17(14)26)18(27)22-11-4-5-11/h2-3,8-12,20H,4-7H2,1H3,(H,22,27)(H,23,24) | PDB
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| 0.330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of fluorescein-labeled kinase tracer binding to His-TVMV-fused TYK2 JH2 domain (575 to 869 residues) (unknown origin) measured after 90 mi... |
ACS Med Chem Lett 10: 383-388 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00035
BindingDB Entry DOI: 10.7270/Q2TM7FKX |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50526623
(CHEMBL4466139 | US11174264, Compound I-4)Show SMILES CNc1cc(Nc2cccn(-c3ccccn3)c2=O)nn2c(cnc12)C(=O)NC1CC1 Show InChI InChI=1S/C21H20N8O2/c1-22-15-11-17(27-29-16(12-24-19(15)29)20(30)25-13-7-8-13)26-14-5-4-10-28(21(14)31)18-6-2-3-9-23-18/h2-6,9-13,22H,7-8H2,1H3,(H,25,30)(H,26,27) | PDB
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| 0.340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of fluorescein-labeled kinase tracer binding to His-TVMV-fused TYK2 JH2 domain (575 to 869 residues) (unknown origin) measured after 90 mi... |
ACS Med Chem Lett 10: 383-388 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00035
BindingDB Entry DOI: 10.7270/Q2TM7FKX |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50526618
(CHEMBL4437714)Show SMILES CNc1cc(Nc2cccn(-c3ncc(F)cn3)c2=O)nn2c(cnc12)C(=O)NC1CC1 Show InChI InChI=1S/C20H18FN9O2/c1-22-14-7-16(28-30-15(10-23-17(14)30)18(31)26-12-4-5-12)27-13-3-2-6-29(19(13)32)20-24-8-11(21)9-25-20/h2-3,6-10,12,22H,4-5H2,1H3,(H,26,31)(H,27,28) | PDB
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| 0.380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of fluorescein-labeled kinase tracer binding to His-TVMV-fused TYK2 JH2 domain (575 to 869 residues) (unknown origin) measured after 90 mi... |
ACS Med Chem Lett 10: 383-388 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00035
BindingDB Entry DOI: 10.7270/Q2TM7FKX |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM16325
(3-({5-cyano-6-[(1-methylethyl)amino]pyrimidin-4-yl...)Show SMILES CC(C)Nc1ncnc(Nc2cc(ccc2C)C(=O)Nc2ccon2)c1C#N Show InChI InChI=1S/C19H19N7O2/c1-11(2)23-17-14(9-20)18(22-10-21-17)24-15-8-13(5-4-12(15)3)19(27)25-16-6-7-28-26-16/h4-8,10-11H,1-3H3,(H,25,26,27)(H2,21,22,23,24) | PDB
MMDB
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| Article
PubMed
| 0.410 | -53.0 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
Bristol-Myers Squibb Company
| Assay Description
The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i... |
J Med Chem 48: 6261-70 (2005)
Article DOI: 10.1021/jm0503594
BindingDB Entry DOI: 10.7270/Q25X276T |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM16324
(3-{[5-cyano-6-(cyclopentylamino)pyrimidin-4-yl]ami...)Show SMILES CONC(=O)c1ccc(C)c(Nc2ncnc(NC3CCCC3)c2C#N)c1 Show InChI InChI=1S/C19H22N6O2/c1-12-7-8-13(19(26)25-27-2)9-16(12)24-18-15(10-20)17(21-11-22-18)23-14-5-3-4-6-14/h7-9,11,14H,3-6H2,1-2H3,(H,25,26)(H2,21,22,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.420 | -53.0 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
Bristol-Myers Squibb Company
| Assay Description
The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i... |
J Med Chem 48: 6261-70 (2005)
Article DOI: 10.1021/jm0503594
BindingDB Entry DOI: 10.7270/Q25X276T |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50376456
(CHEMBL262592)Show SMILES CCNC(=O)c1cn2ncnc(Nc3cc(NC(=O)c4cc(F)cc(c4)N4CCOCC4)ccc3C)c2c1C Show InChI InChI=1S/C28H30FN7O3/c1-4-30-28(38)23-15-36-25(18(23)3)26(31-16-32-36)34-24-14-21(6-5-17(24)2)33-27(37)19-11-20(29)13-22(12-19)35-7-9-39-10-8-35/h5-6,11-16H,4,7-10H2,1-3H3,(H,30,38)(H,33,37)(H,31,32,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.420 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha |
Bioorg Med Chem Lett 18: 2739-44 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.067
BindingDB Entry DOI: 10.7270/Q29887X6 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50376433
(CHEMBL258895)Show SMILES C[C@H](NC(=O)c1cn2ncnc(Nc3cc(NC(=O)c4ccnc(c4)N4CCOCC4)ccc3C)c2c1C)c1ccccc1 Show InChI InChI=1S/C33H34N8O3/c1-21-9-10-26(38-32(42)25-11-12-34-29(17-25)40-13-15-44-16-14-40)18-28(21)39-31-30-22(2)27(19-41(30)36-20-35-31)33(43)37-23(3)24-7-5-4-6-8-24/h4-12,17-20,23H,13-16H2,1-3H3,(H,37,43)(H,38,42)(H,35,36,39)/t23-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.440 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha |
Bioorg Med Chem Lett 18: 2739-44 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.067
BindingDB Entry DOI: 10.7270/Q29887X6 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50376434
(CHEMBL408150)Show SMILES C[C@H](NC(=O)c1cn2ncnc(Nc3cc(NC(=O)c4cccc(c4)N4CCOCC4)ccc3C)c2c1C)c1ccccc1 |r| Show InChI InChI=1S/C34H35N7O3/c1-22-12-13-27(38-33(42)26-10-7-11-28(18-26)40-14-16-44-17-15-40)19-30(22)39-32-31-23(2)29(20-41(31)36-21-35-32)34(43)37-24(3)25-8-5-4-6-9-25/h4-13,18-21,24H,14-17H2,1-3H3,(H,37,43)(H,38,42)(H,35,36,39)/t24-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| MMDB
PDB
Article
PubMed
| 0.460 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha |
Bioorg Med Chem Lett 18: 2739-44 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.067
BindingDB Entry DOI: 10.7270/Q29887X6 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50526609
(CHEMBL4454109)Show SMILES CNc1cc(Nc2cccn(-c3cc(C)n(C)n3)c2=O)nn2c(cnc12)C(=O)NC1CC1 Show InChI InChI=1S/C21H23N9O2/c1-12-9-18(27-28(12)3)29-8-4-5-14(21(29)32)25-17-10-15(22-2)19-23-11-16(30(19)26-17)20(31)24-13-6-7-13/h4-5,8-11,13,22H,6-7H2,1-3H3,(H,24,31)(H,25,26) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.480 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of fluorescein-labeled kinase tracer binding to His-TVMV-fused TYK2 JH2 domain (575 to 869 residues) (unknown origin) measured after 90 mi... |
ACS Med Chem Lett 10: 383-388 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00035
BindingDB Entry DOI: 10.7270/Q2TM7FKX |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50376435
(CHEMBL261845)Show SMILES C[C@H](NC(=O)c1cn2ncnc(Nc3cc(NC(=O)c4cc(F)cc(c4)N4CCOCC4)ccc3C)c2c1C)c1ccccc1 Show InChI InChI=1S/C34H34FN7O3/c1-21-9-10-27(39-33(43)25-15-26(35)17-28(16-25)41-11-13-45-14-12-41)18-30(21)40-32-31-22(2)29(19-42(31)37-20-36-32)34(44)38-23(3)24-7-5-4-6-8-24/h4-10,15-20,23H,11-14H2,1-3H3,(H,38,44)(H,39,43)(H,36,37,40)/t23-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.540 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha |
Bioorg Med Chem Lett 18: 2739-44 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.067
BindingDB Entry DOI: 10.7270/Q29887X6 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM16323
(3-({5-cyano-6-[(1-methylethyl)amino]pyrimidin-4-yl...)Show InChI InChI=1S/C17H20N6O2/c1-10(2)21-15-13(8-18)16(20-9-19-15)22-14-7-12(6-5-11(14)3)17(24)23-25-4/h5-7,9-10H,1-4H3,(H,23,24)(H2,19,20,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.610 | -52.1 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
Bristol-Myers Squibb Company
| Assay Description
The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i... |
J Med Chem 48: 6261-70 (2005)
Article DOI: 10.1021/jm0503594
BindingDB Entry DOI: 10.7270/Q25X276T |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50526614
(CHEMBL4517542)Show SMILES CNc1cc(Nc2cccn(C)c2=O)nn2c(cnc12)C(=O)NC1CC1 Show InChI InChI=1S/C17H19N7O2/c1-18-12-8-14(21-11-4-3-7-23(2)17(11)26)22-24-13(9-19-15(12)24)16(25)20-10-5-6-10/h3-4,7-10,18H,5-6H2,1-2H3,(H,20,25)(H,21,22) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.740 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of fluorescein-labeled kinase tracer binding to His-TVMV-fused TYK2 JH2 domain (575 to 869 residues) (unknown origin) measured after 90 mi... |
ACS Med Chem Lett 10: 383-388 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00035
BindingDB Entry DOI: 10.7270/Q2TM7FKX |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50530395
(CHEMBL4444178)Show SMILES [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1ccccc1S(C)(=O)=O Show InChI InChI=1S/C17H19N5O4S/c1-18-17(24)15-12(9-14(21-22-15)20-16(23)10-7-8-10)19-11-5-3-4-6-13(11)27(2,25)26/h3-6,9-10H,7-8H2,1-2H3,(H,18,24)(H2,19,20,21,23) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of TYK2 JH2 (unknown origin) by morrison titration assay |
J Med Chem 62: 8953-8972 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00443
BindingDB Entry DOI: 10.7270/Q2W95DMQ |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50530395
(CHEMBL4444178)Show SMILES [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1ccccc1S(C)(=O)=O Show InChI InChI=1S/C17H19N5O4S/c1-18-17(24)15-12(9-14(21-22-15)20-16(23)10-7-8-10)19-11-5-3-4-6-13(11)27(2,25)26/h3-6,9-10H,7-8H2,1-2H3,(H,18,24)(H2,19,20,21,23) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of TYK2 JH2 (unknown origin) by morrison titration assay |
J Med Chem 62: 8953-8972 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00443
BindingDB Entry DOI: 10.7270/Q2W95DMQ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM16322
(3-{[5-cyano-6-(propylamino)pyrimidin-4-yl]amino}-N...)Show InChI InChI=1S/C17H20N6O2/c1-4-7-19-15-13(9-18)16(21-10-20-15)22-14-8-12(6-5-11(14)2)17(24)23-25-3/h5-6,8,10H,4,7H2,1-3H3,(H,23,24)(H2,19,20,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.970 | -50.9 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
Bristol-Myers Squibb Company
| Assay Description
The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i... |
J Med Chem 48: 6261-70 (2005)
Article DOI: 10.1021/jm0503594
BindingDB Entry DOI: 10.7270/Q25X276T |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50376432
(CHEMBL258748)Show SMILES CCNC(=O)c1cn2ncnc(Nc3cc(NC(=O)c4cccc(c4)N4CCOCC4)ccc3C)c2c1C Show InChI InChI=1S/C28H31N7O3/c1-4-29-28(37)23-16-35-25(19(23)3)26(30-17-31-35)33-24-15-21(9-8-18(24)2)32-27(36)20-6-5-7-22(14-20)34-10-12-38-13-11-34/h5-9,14-17H,4,10-13H2,1-3H3,(H,29,37)(H,32,36)(H,30,31,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.980 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha |
Bioorg Med Chem Lett 18: 2739-44 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.067
BindingDB Entry DOI: 10.7270/Q29887X6 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50272598
(6-Methoxy-5-(2-morpholin-4-yl-ethyl)-2-(1,3,3-trim...)Show SMILES COc1cccc2c1n(CCN1CCOCC1)c1ccn([C@H]3[C@@]4(C)CC[C@H](C4)C3(C)C)c(=O)c21 |r| Show InChI InChI=1S/C28H37N3O3/c1-27(2)19-8-10-28(3,18-19)26(27)31-11-9-21-23(25(31)32)20-6-5-7-22(33-4)24(20)30(21)13-12-29-14-16-34-17-15-29/h5-7,9,11,19,26H,8,10,12-18H2,1-4H3/t19-,26-,28+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Binding affinity against human cannabinoid receptor 2 in chinese hamster ovary cells using WIN-55212-2 mesylate[57-3H] |
J Med Chem 46: 2110-6 (2003)
Article DOI: 10.1021/jm020329q
BindingDB Entry DOI: 10.7270/Q2J67HPG |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM16331
(3-({2-amino-5-cyano-6-[(1-methylethyl)amino]pyrimi...)Show SMILES CCn1nccc1NC(=O)c1ccc(C)c(Nc2nc(N)nc(NC(C)C)c2C#N)c1 Show InChI InChI=1S/C21H25N9O/c1-5-30-17(8-9-24-30)27-20(31)14-7-6-13(4)16(10-14)26-19-15(11-22)18(25-12(2)3)28-21(23)29-19/h6-10,12H,5H2,1-4H3,(H,27,31)(H4,23,25,26,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.5 | -49.9 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
Bristol-Myers Squibb Company
| Assay Description
The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i... |
J Med Chem 48: 6261-70 (2005)
Article DOI: 10.1021/jm0503594
BindingDB Entry DOI: 10.7270/Q25X276T |
More data for this
Ligand-Target Pair | |
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