Found 3736 hits with Last Name = 'tokarski' and Initial = 'js' 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
UniProtKB/TrEMBL
B.MOAD
DrugBank
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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
UniProtKB/TrEMBL
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
KEGG
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| Purchase
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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| Purchase
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
| 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
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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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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 | |
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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GoogleScholar
AffyNet
| 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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GoogleScholar
AffyNet
| 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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GoogleScholar
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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| Purchase
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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| Purchase
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)) | 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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| Purchase
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
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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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AffyNet
| 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
PC sid
UniChem
| Article
PubMed
| 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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AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 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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AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 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 | |
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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| 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) |
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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| 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 | |
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
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| 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 | |
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
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| 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
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| 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
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| 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 | |
Androgen receptor
(Homo sapiens (Human)) | BDBM18162
((1R,6R,7S)-4-(4-nitronaphthalen-1-yl)-2,4-diazatri...)Show SMILES Oc1c2[C@H]3CC[C@H](C3)n2c(=O)n1-c1ccc([N+]([O-])=O)c2ccccc12 |r,wU:6.6,3.7,(12.2,-7.28,;12.6,-8.77,;11.56,-9.96,;10.02,-9.96,;9.25,-11.29,;10.02,-12.62,;11.56,-12.62,;10.02,-11.73,;12.33,-11.29,;13.87,-10.92,;15.03,-11.93,;14,-9.4,;15.49,-9,;16.07,-7.57,;17.59,-7.36,;18.54,-8.57,;20.06,-8.36,;20.83,-9.69,;20.64,-6.93,;17.96,-10,;18.91,-11.21,;18.34,-12.64,;16.81,-12.86,;15.86,-11.64,;16.44,-10.22,)| Show InChI InChI=1S/C18H15N3O4/c22-17-16-10-5-6-11(9-10)19(16)18(23)20(17)14-7-8-15(21(24)25)13-4-2-1-3-12(13)14/h1-4,7-8,10-11,22H,5-6,9H2/t10-,11+/m0/s1 | PDB
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Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]-DHT from androgen receptor of human MDA-453 cells |
Bioorg Med Chem Lett 14: 6107-11 (2004)
Article DOI: 10.1016/j.bmcl.2004.09.049
BindingDB Entry DOI: 10.7270/Q2T1533W |
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
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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 | |
Cannabinoid receptor 1
(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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| 1.90 | 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 1 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 | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50128092
(7-Methoxy-1-(2-morpholin-4-yl-ethyl)-1H-indazole-3...)Show SMILES COc1cccc2c(nn(CCN3CCOCC3)c12)C(=O)NC1[C@@]2(C)CC[C@H](C2)C1(C)C Show InChI InChI=1S/C25H36N4O3/c1-24(2)17-8-9-25(3,16-17)23(24)26-22(30)20-18-6-5-7-19(31-4)21(18)29(27-20)11-10-28-12-14-32-15-13-28/h5-7,17,23H,8-16H2,1-4H3,(H,26,30)/t17-,23?,25+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 2 | 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 | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50156515
((1R,2R,6S,7S)-4-(4-Nitro-3-trifluoromethyl-phenyl)...)Show SMILES Oc1c2[C@H]3CC[C@H](C3)c2c(O)n1-c1ccc(c(c1)C(F)(F)F)[N+]([O-])=O Show InChI InChI=1S/C16H13F3N2O4/c17-16(18,19)10-6-9(3-4-11(10)21(24)25)20-14(22)12-7-1-2-8(5-7)13(12)15(20)23/h3-4,6-8,22-23H,1-2,5H2/t7-,8+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]-DHT from androgen receptor of human MDA-453 cells |
Bioorg Med Chem Lett 14: 6107-11 (2004)
Article DOI: 10.1016/j.bmcl.2004.09.049
BindingDB Entry DOI: 10.7270/Q2T1533W |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50128095
(7-Methoxy-2-methyl-1-(2-morpholin-4-yl-ethyl)-1H-i...)Show SMILES COc1cccc2c(C(=O)NC3[C@@]4(C)CC[C@H](C4)C3(C)C)c(C)n(CCN3CCOCC3)c12 Show InChI InChI=1S/C27H39N3O3/c1-18-22(24(31)28-25-26(2,3)19-9-10-27(25,4)17-19)20-7-6-8-21(32-5)23(20)30(18)12-11-29-13-15-33-16-14-29/h6-8,19,25H,9-17H2,1-5H3,(H,28,31)/t19-,25?,27+/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8 | 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 against human cannabinoid receptor 1 in chinese hamster ovary cells by using radioligand CP-55940 |
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 | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50156513
((1S,6R,7S)-4-(4-Nitro-naphthalen-1-yl)-3,5-dioxo-2...)Show SMILES Oc1c2[C@@H]3C[C@@H](CN3C(=O)Oc3ccc(F)cc3)n2c(=O)n1-c1ccc([N+]([O-])=O)c2ccccc12 |wU:3.3,5.4,(1.62,1.68,;1.15,.21,;-.3,-.27,;-1.63,.51,;-.88,-.83,;-1.63,-2.57,;-2.96,-1.81,;-2.96,-.27,;-4.29,.51,;-4.29,2.05,;-5.63,-.27,;-6.96,.51,;-8.29,-.27,;-9.63,.49,;-9.65,2.05,;-10.86,2.66,;-8.29,2.82,;-6.96,2.05,;-.3,-1.81,;1.15,-2.28,;1.62,-3.74,;2.04,-1.04,;3.61,-1.04,;4.37,-2.38,;5.9,-2.38,;6.69,-1.05,;8.24,-1.05,;9.01,-2.38,;9.01,.3,;5.9,.3,;6.67,1.63,;5.9,2.96,;4.36,2.94,;3.61,1.61,;4.37,.3,)| Show InChI InChI=1S/C24H17FN4O6/c25-13-5-7-15(8-6-13)35-24(32)26-12-14-11-20(26)21-22(30)28(23(31)27(14)21)18-9-10-19(29(33)34)17-4-2-1-3-16(17)18/h1-10,14,20,30H,11-12H2/t14-,20-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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PC sid
UniChem
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PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]-DHT from androgen receptor of human MDA-453 cells |
Bioorg Med Chem Lett 14: 6107-11 (2004)
Article DOI: 10.1016/j.bmcl.2004.09.049
BindingDB Entry DOI: 10.7270/Q2T1533W |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50156521
((1S,6R,7S)-8-Benzoyl-4-(4-nitro-phenyl)-2,4,8-tria...)Show SMILES Oc1c2[C@@H]3C[C@@H](CN3C(=O)c3ccccc3)n2c(=O)n1-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C20H16N4O5/c25-18(12-4-2-1-3-5-12)21-11-15-10-16(21)17-19(26)23(20(27)22(15)17)13-6-8-14(9-7-13)24(28)29/h1-9,15-16,26H,10-11H2/t15-,16-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]-DHT from androgen receptor of human MDA-453 cells |
Bioorg Med Chem Lett 14: 6107-11 (2004)
Article DOI: 10.1016/j.bmcl.2004.09.049
BindingDB Entry DOI: 10.7270/Q2T1533W |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50156504
((1S,6R,7S)-4-(4-Cyano-3-trifluoromethyl-phenyl)-3,...)Show SMILES Oc1c2[C@@H]3C[C@@H](CN3C(=O)Oc3ccc(F)cc3)n2c(=O)n1-c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C22H14F4N4O4/c23-12-2-5-15(6-3-12)34-21(33)28-10-14-8-17(28)18-19(31)30(20(32)29(14)18)13-4-1-11(9-27)16(7-13)22(24,25)26/h1-7,14,17,31H,8,10H2/t14-,17-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
GoogleScholar
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]-DHT from androgen receptor of human MDA-453 cells |
Bioorg Med Chem Lett 14: 6107-11 (2004)
Article DOI: 10.1016/j.bmcl.2004.09.049
BindingDB Entry DOI: 10.7270/Q2T1533W |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50128100
(7-Methoxy-1-(2-morpholin-4-yl-ethyl)-1H-indole-3-c...)Show SMILES COc1cccc2c(cn(CCN3CCOCC3)c12)C(=O)NC1[C@@]2(C)CC[C@H](C2)C1(C)C Show InChI InChI=1S/C26H37N3O3/c1-25(2)18-8-9-26(3,16-18)24(25)27-23(30)20-17-29(11-10-28-12-14-32-15-13-28)22-19(20)6-5-7-21(22)31-4/h5-7,17-18,24H,8-16H2,1-4H3,(H,27,30)/t18-,24?,26+/m1/s1 | PDB
Reactome pathway
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| 11 | 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 | |
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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| PC cid
PC sid
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| Article
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| 12 | 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 TYK2 JH2 domain in IFNalpha/IL23-stimulated human Kit225 cells by luciferase reporter assay |
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 1
(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
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 16 | 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 against human cannabinoid receptor 1 in chinese hamster ovary cells by using radioligand CP-55940 |
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 | |
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
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antibodypedia
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| PC cid
PC sid
UniChem
| Article
PubMed
| 22 | 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 TYK2 JH2 domain in IFNalpha/IL23-stimulated human Kit225 cells by luciferase reporter assay |
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 1
(Homo sapiens (Human)) | BDBM50128092
(7-Methoxy-1-(2-morpholin-4-yl-ethyl)-1H-indazole-3...)Show SMILES COc1cccc2c(nn(CCN3CCOCC3)c12)C(=O)NC1[C@@]2(C)CC[C@H](C2)C1(C)C Show InChI InChI=1S/C25H36N4O3/c1-24(2)17-8-9-25(3,16-17)23(24)26-22(30)20-18-6-5-7-19(31-4)21(18)29(27-20)11-10-28-12-14-32-15-13-28/h5-7,17,23H,8-16H2,1-4H3,(H,26,30)/t17-,23?,25+/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 24 | 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 against human cannabinoid receptor 1 in chinese hamster ovary cells by using radioligand CP-55940 |
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 | |
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
KEGG
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MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 25 | 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 TYK2 JH2 domain in IFNalpha/IL23-stimulated human Kit225 cells by luciferase reporter assay |
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
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 26 | 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 TYK2 JH2 domain in IFNalpha/IL23-stimulated human Kit225 cells by luciferase reporter assay |
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)) | BDBM50128095
(7-Methoxy-2-methyl-1-(2-morpholin-4-yl-ethyl)-1H-i...)Show SMILES COc1cccc2c(C(=O)NC3[C@@]4(C)CC[C@H](C4)C3(C)C)c(C)n(CCN3CCOCC3)c12 Show InChI InChI=1S/C27H39N3O3/c1-18-22(24(31)28-25-26(2,3)19-9-10-27(25,4)17-19)20-7-6-8-21(32-5)23(20)30(18)12-11-29-13-15-33-16-14-29/h6-8,19,25H,9-17H2,1-5H3,(H,28,31)/t19-,25?,27+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 29 | 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 | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50156508
((1S,6R,7S)-4-(4-Cyano-naphthalen-1-yl)-3,5-dioxo-2...)Show SMILES Oc1c2[C@@H]3C[C@@H](CN3C(=O)Oc3ccc(F)cc3)n2c(=O)n1-c1ccc(C#N)c2ccccc12 |wU:3.3,5.4,(1.88,1.65,;1.41,.18,;-.06,-.29,;-1.39,.48,;-.62,-.85,;-1.39,-2.6,;-2.7,-1.83,;-2.7,-.29,;-4.06,.48,;-4.06,2.03,;-5.39,-.29,;-6.73,.48,;-8.06,-.29,;-9.39,.46,;-9.41,2.03,;-10.59,2.63,;-8.06,2.8,;-6.73,2.03,;-.06,-1.83,;1.41,-2.3,;1.88,-3.77,;2.3,-1.06,;3.84,-1.06,;4.61,-2.42,;6.16,-2.42,;6.93,-1.08,;8.47,-1.06,;10.02,-1.06,;6.16,.27,;6.91,1.61,;6.13,2.94,;4.59,2.91,;3.84,1.58,;4.61,.27,)| Show InChI InChI=1S/C25H17FN4O4/c26-15-6-8-17(9-7-15)34-25(33)28-13-16-11-21(28)22-23(31)30(24(32)29(16)22)20-10-5-14(12-27)18-3-1-2-4-19(18)20/h1-10,16,21,31H,11,13H2/t16-,21-/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
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]-DHT from androgen receptor of human MDA-453 cells |
Bioorg Med Chem Lett 14: 6107-11 (2004)
Article DOI: 10.1016/j.bmcl.2004.09.049
BindingDB Entry DOI: 10.7270/Q2T1533W |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50156506
((1S,6S,7S)-4-(4-Cyano-3-trifluoromethyl-phenyl)-3,...)Show SMILES CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1c1c(O)n(-c3ccc(C#N)c(c3)C(F)(F)F)c(=O)n21 Show InChI InChI=1S/C20H19F3N4O4/c1-19(2,3)31-18(30)25-9-12-7-14(25)15-16(28)27(17(29)26(12)15)11-5-4-10(8-24)13(6-11)20(21,22)23/h4-6,12,14,28H,7,9H2,1-3H3/t12-,14-/m0/s1 | PDB
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Reactome pathway
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| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]-DHT from androgen receptor of human MDA-453 cells |
Bioorg Med Chem Lett 14: 6107-11 (2004)
Article DOI: 10.1016/j.bmcl.2004.09.049
BindingDB Entry DOI: 10.7270/Q2T1533W |
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Ligand-Target Pair | |
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