Found 190 hits of kd for UniProtKB: P52333 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM100350
(US10533001, Example 99 | US11414410, Example 99 | ...)Show SMILES CS(=O)(=O)N1CCN(CC1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1 Show InChI InChI=1S/C19H25N7O3S/c1-30(28,29)26-10-8-25(9-11-26)15-6-4-14(5-7-15)23-19-21-12-16(17(20)27)18(24-19)22-13-2-3-13/h4-7,12-13H,2-3,8-11H2,1H3,(H2,20,27)(H2,21,22,23,24) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.800 | 2.70 | n/a | n/a | n/a | n/a | n/a |
Portola Pharmaceuticals, Inc.
US Patent
| Assay Description
ATP-site dependent competition binding assay using Ambit KinomeScan Screening kit. |
US Patent US8501944 (2013)
BindingDB Entry DOI: 10.7270/Q20Z71W0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50193995
(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r| Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1 | PDB
Reactome pathway
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DrugBank
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| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a |
SRI International
Curated by ChEMBL
| Assay Description
Binding affinity to JAK3 |
Bioorg Med Chem Lett 20: 7454-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.026
BindingDB Entry DOI: 10.7270/Q22B901J |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM100348
(US10533001, Example Table 9a.1 | US11414410, Table...)Show SMILES COCC(=O)N1CCN(CC1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1 Show InChI InChI=1S/C21H27N7O3/c1-31-13-18(29)28-10-8-27(9-11-28)16-6-4-15(5-7-16)25-21-23-12-17(19(22)30)20(26-21)24-14-2-3-14/h4-7,12,14H,2-3,8-11,13H2,1H3,(H2,22,30)(H2,23,24,25,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a |
Portola Pharmaceuticals, Inc.
US Patent
| Assay Description
ATP-site dependent competition binding assay using Ambit KinomeScan Screening kit. |
US Patent US8501944 (2013)
BindingDB Entry DOI: 10.7270/Q20Z71W0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM100349
(US10533001, Example Table 9a.2 | US11414410, Table...)Show SMILES CNC(=O)[C@H]1CCCN(C1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1 |r| Show InChI InChI=1S/C21H27N7O2/c1-23-20(30)13-3-2-10-28(12-13)16-8-6-15(7-9-16)26-21-24-11-17(18(22)29)19(27-21)25-14-4-5-14/h6-9,11,13-14H,2-5,10,12H2,1H3,(H2,22,29)(H,23,30)(H2,24,25,26,27)/t13-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a |
Portola Pharmaceuticals, Inc.
US Patent
| Assay Description
ATP-site dependent competition binding assay using Ambit KinomeScan Screening kit. |
US Patent US8501944 (2013)
BindingDB Entry DOI: 10.7270/Q20Z71W0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM100350
(US10533001, Example 99 | US11414410, Example 99 | ...)Show SMILES CS(=O)(=O)N1CCN(CC1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1 Show InChI InChI=1S/C19H25N7O3S/c1-30(28,29)26-10-8-25(9-11-26)15-6-4-14(5-7-15)23-19-21-12-16(17(20)27)18(24-19)22-13-2-3-13/h4-7,12-13H,2-3,8-11H2,1H3,(H2,20,27)(H2,21,22,23,24) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a |
Portola Pharmaceuticals, Inc.
US Patent
| Assay Description
ATP-site dependent competition binding assay using Ambit KinomeScan Screening kit. |
US Patent US8501944 (2013)
BindingDB Entry DOI: 10.7270/Q20Z71W0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM100351
(US10533001, Example Table 9a.4 | US11414410, Table...)Show SMILES NC(=O)[C@@H]1CCCN(C1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1 |r| Show InChI InChI=1S/C20H25N7O2/c21-17(28)12-2-1-9-27(11-12)15-7-5-14(6-8-15)25-20-23-10-16(18(22)29)19(26-20)24-13-3-4-13/h5-8,10,12-13H,1-4,9,11H2,(H2,21,28)(H2,22,29)(H2,23,24,25,26)/t12-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | n/a | 4.10 | n/a | n/a | n/a | n/a | n/a |
Portola Pharmaceuticals, Inc.
US Patent
| Assay Description
ATP-site dependent competition binding assay using Ambit KinomeScan Screening kit. |
US Patent US8501944 (2013)
BindingDB Entry DOI: 10.7270/Q20Z71W0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM100348
(US10533001, Example Table 9a.1 | US11414410, Table...)Show SMILES COCC(=O)N1CCN(CC1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1 Show InChI InChI=1S/C21H27N7O3/c1-31-13-18(29)28-10-8-27(9-11-28)16-6-4-15(5-7-16)25-21-23-12-17(19(22)30)20(26-21)24-14-2-3-14/h4-7,12,14H,2-3,8-11,13H2,1H3,(H2,22,30)(H2,23,24,25,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a |
Portola Pharmaceuticals, Inc.
US Patent
| Assay Description
ATP-site dependent competition binding assay using Ambit KinomeScan Screening kit. |
US Patent US8501944 (2013)
BindingDB Entry DOI: 10.7270/Q20Z71W0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM100351
(US10533001, Example Table 9a.4 | US11414410, Table...)Show SMILES NC(=O)[C@@H]1CCCN(C1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1 |r| Show InChI InChI=1S/C20H25N7O2/c21-17(28)12-2-1-9-27(11-12)15-7-5-14(6-8-15)25-20-23-10-16(18(22)29)19(26-20)24-13-3-4-13/h5-8,10,12-13H,1-4,9,11H2,(H2,21,28)(H2,22,29)(H2,23,24,25,26)/t12-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | n/a | 4.10 | n/a | n/a | n/a | n/a | n/a |
Portola Pharmaceuticals, Inc.
US Patent
| Assay Description
ATP-site dependent competition binding assay using Ambit KinomeScan Screening kit. |
US Patent US8501944 (2013)
BindingDB Entry DOI: 10.7270/Q20Z71W0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM100348
(US10533001, Example Table 9a.1 | US11414410, Table...)Show SMILES COCC(=O)N1CCN(CC1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1 Show InChI InChI=1S/C21H27N7O3/c1-31-13-18(29)28-10-8-27(9-11-28)16-6-4-15(5-7-16)25-21-23-12-17(19(22)30)20(26-21)24-14-2-3-14/h4-7,12,14H,2-3,8-11,13H2,1H3,(H2,22,30)(H2,23,24,25,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a |
Portola Pharmaceuticals, Inc.
US Patent
| Assay Description
This assay is an ATP-site dependent competition binding assay in which human kinases of interest are fused to a proprietary tag (T7 bacteriophage). T... |
US Patent US8937070 (2015)
BindingDB Entry DOI: 10.7270/Q2GB22RV |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM100349
(US10533001, Example Table 9a.2 | US11414410, Table...)Show SMILES CNC(=O)[C@H]1CCCN(C1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1 |r| Show InChI InChI=1S/C21H27N7O2/c1-23-20(30)13-3-2-10-28(12-13)16-8-6-15(7-9-16)26-21-24-11-17(18(22)29)19(27-21)25-14-4-5-14/h6-9,11,13-14H,2-5,10,12H2,1H3,(H2,22,29)(H,23,30)(H2,24,25,26,27)/t13-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a |
Portola Pharmaceuticals, Inc.
US Patent
| Assay Description
This assay is an ATP-site dependent competition binding assay in which human kinases of interest are fused to a proprietary tag (T7 bacteriophage). T... |
US Patent US8937070 (2015)
BindingDB Entry DOI: 10.7270/Q2GB22RV |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM100350
(US10533001, Example 99 | US11414410, Example 99 | ...)Show SMILES CS(=O)(=O)N1CCN(CC1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1 Show InChI InChI=1S/C19H25N7O3S/c1-30(28,29)26-10-8-25(9-11-26)15-6-4-14(5-7-15)23-19-21-12-16(17(20)27)18(24-19)22-13-2-3-13/h4-7,12-13H,2-3,8-11H2,1H3,(H2,20,27)(H2,21,22,23,24) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a |
Portola Pharmaceuticals, Inc.
US Patent
| Assay Description
This assay is an ATP-site dependent competition binding assay in which human kinases of interest are fused to a proprietary tag (T7 bacteriophage). T... |
US Patent US8937070 (2015)
BindingDB Entry DOI: 10.7270/Q2GB22RV |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM100351
(US10533001, Example Table 9a.4 | US11414410, Table...)Show SMILES NC(=O)[C@@H]1CCCN(C1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1 |r| Show InChI InChI=1S/C20H25N7O2/c21-17(28)12-2-1-9-27(11-12)15-7-5-14(6-8-15)25-20-23-10-16(18(22)29)19(26-20)24-13-3-4-13/h5-8,10,12-13H,1-4,9,11H2,(H2,21,28)(H2,22,29)(H2,23,24,25,26)/t12-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | n/a | 4.10 | n/a | n/a | n/a | n/a | n/a |
Portola Pharmaceuticals, Inc.
US Patent
| Assay Description
This assay is an ATP-site dependent competition binding assay in which human kinases of interest are fused to a proprietary tag (T7 bacteriophage). T... |
US Patent US8937070 (2015)
BindingDB Entry DOI: 10.7270/Q2GB22RV |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM100348
(US10533001, Example Table 9a.1 | US11414410, Table...)Show SMILES COCC(=O)N1CCN(CC1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1 Show InChI InChI=1S/C21H27N7O3/c1-31-13-18(29)28-10-8-27(9-11-28)16-6-4-15(5-7-16)25-21-23-12-17(19(22)30)20(26-21)24-14-2-3-14/h4-7,12,14H,2-3,8-11,13H2,1H3,(H2,22,30)(H2,23,24,25,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a |
Portola Pharmaceuticals, Inc.
US Patent
| Assay Description
This assay is an ATP-site dependent competition binding assay in which human kinases of interest are fused to a proprietary tag (T7 bacteriophage). T... |
US Patent US8937070 (2015)
BindingDB Entry DOI: 10.7270/Q2GB22RV |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM100350
(US10533001, Example 99 | US11414410, Example 99 | ...)Show SMILES CS(=O)(=O)N1CCN(CC1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1 Show InChI InChI=1S/C19H25N7O3S/c1-30(28,29)26-10-8-25(9-11-26)15-6-4-14(5-7-15)23-19-21-12-16(17(20)27)18(24-19)22-13-2-3-13/h4-7,12-13H,2-3,8-11H2,1H3,(H2,20,27)(H2,21,22,23,24) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a |
Portola Pharmaceuticals, Inc.
US Patent
| Assay Description
This assay is an ATP-site dependent competition binding assay in which human kinases of interest are fused to a proprietary tag (T7 bacteriophage). T... |
US Patent US8937070 (2015)
BindingDB Entry DOI: 10.7270/Q2GB22RV |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM100351
(US10533001, Example Table 9a.4 | US11414410, Table...)Show SMILES NC(=O)[C@@H]1CCCN(C1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1 |r| Show InChI InChI=1S/C20H25N7O2/c21-17(28)12-2-1-9-27(11-12)15-7-5-14(6-8-15)25-20-23-10-16(18(22)29)19(26-20)24-13-3-4-13/h5-8,10,12-13H,1-4,9,11H2,(H2,21,28)(H2,22,29)(H2,23,24,25,26)/t12-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | n/a | 4.10 | n/a | n/a | n/a | n/a | n/a |
Portola Pharmaceuticals, Inc.
US Patent
| Assay Description
This assay is an ATP-site dependent competition binding assay in which human kinases of interest are fused to a proprietary tag (T7 bacteriophage). T... |
US Patent US8937070 (2015)
BindingDB Entry DOI: 10.7270/Q2GB22RV |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM214688
(US9295672, (4-fluorophenyl)(4-((5-methyl-1H-pyraz...)Show SMILES Cc1cc(Nc2nc(nc3ccccc23)C(O)c2ccc(F)cc2)n[nH]1 | PDB
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UniChem
| US Patent
| n/a | n/a | n/a | 1.05E+4 | n/a | n/a | n/a | n/a | 25 |
Ambit Biosciences Corporation
US Patent
| Assay Description
For the binding assays, streptavidin-coated magnetic beads were treated with biotinylated affinity ligands for 30 min at room temperature to generate... |
US Patent US9295672 (2016)
BindingDB Entry DOI: 10.7270/Q2ZP44ZX |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM214689
(US9295672, (S)-(4-fluorophenyl)(4-((5-methyl-1H-py...)Show SMILES Cc1cc(Nc2nc(nc3ccccc23)[C@@H](O)c2ccc(F)cc2)n[nH]1 Show InChI InChI=1S/C19H16FN5O/c1-11-10-16(25-24-11)22-18-14-4-2-3-5-15(14)21-19(23-18)17(26)12-6-8-13(20)9-7-12/h2-10,17,26H,1H3,(H2,21,22,23,24,25)/t17-/m0/s1 | PDB
Reactome pathway
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MCE
PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | 25 |
Ambit Biosciences Corporation
US Patent
| Assay Description
For the binding assays, streptavidin-coated magnetic beads were treated with biotinylated affinity ligands for 30 min at room temperature to generate... |
US Patent US9295672 (2016)
BindingDB Entry DOI: 10.7270/Q2ZP44ZX |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM214690
(US9295672, (R)-(4-fluorophenyl)(4-((5-methyl-1H-py...)Show SMILES Cc1cc(Nc2nc(nc3ccccc23)[C@H](O)c2ccc(F)cc2)n[nH]1 Show InChI InChI=1S/C19H16FN5O/c1-11-10-16(25-24-11)22-18-14-4-2-3-5-15(14)21-19(23-18)17(26)12-6-8-13(20)9-7-12/h2-10,17,26H,1H3,(H2,21,22,23,24,25)/t17-/m1/s1 | PDB
Reactome pathway
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MCE
PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | 2.10E+4 | n/a | n/a | n/a | n/a | 25 |
Ambit Biosciences Corporation
US Patent
| Assay Description
For the binding assays, streptavidin-coated magnetic beads were treated with biotinylated affinity ligands for 30 min at room temperature to generate... |
US Patent US9295672 (2016)
BindingDB Entry DOI: 10.7270/Q2ZP44ZX |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM202553
((E/Z)-2-cyano-3-(5-(1-cyclohexyl-1,6-dihydroimidaz...)Show SMILES CN(C)C(=O)C(=C\c1ccc(o1)-c1nc2cnc3[nH]ccc3c2n1C1CCCCC1)\C#N Show InChI InChI=1S/C24H24N6O2/c1-29(2)24(31)15(13-25)12-17-8-9-20(32-17)23-28-19-14-27-22-18(10-11-26-22)21(19)30(23)16-6-4-3-5-7-16/h8-12,14,16H,3-7H2,1-2H3,(H,26,27)/b15-12+ | PDB
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UniChem
| Article
PubMed
| n/a | n/a | n/a | 1.34 | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-University Tuebingen
| Assay Description
The assay is based on the displacement of a reporter probe by a test compound. Close proximity of the probe and the targeted kinase result in emissio... |
Cell Chem Biol 23: 1335-1340 (2016)
Article DOI: 10.1016/j.chembiol.2016.10.008
BindingDB Entry DOI: 10.7270/Q2WS8S22 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50193995
(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r| Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1 | PDB
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National Human Genome Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of JAK3 |
J Med Chem 51: 8012-8 (2008)
Article DOI: 10.1021/jm801142b
BindingDB Entry DOI: 10.7270/Q29W0FB7 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50326053
(CHEMBL608533 | PKC-412)Show SMILES CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/m1/s1 | PDB
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Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding affinity to JH1 catalytic domain of JAK3 |
Blood 114: 2984-92 (2009)
Article DOI: 10.1182/blood-2009-05-222034
BindingDB Entry DOI: 10.7270/Q2PN95V2 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50308060
(16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-4,1...)Show SMILES C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C26H21N3O4/c1-25-26(32,12-30)10-18(33-25)28-16-8-4-2-6-13(16)20-21-15(11-27-24(21)31)19-14-7-3-5-9-17(14)29(25)23(19)22(20)28/h2-9,18,30,32H,10-12H2,1H3,(H,27,31)/t18-,25+,26+/m1/s1 | PDB
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Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding affinity to JH1 catalytic domain of JAK3 |
Blood 114: 2984-92 (2009)
Article DOI: 10.1182/blood-2009-05-222034
BindingDB Entry DOI: 10.7270/Q2PN95V2 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50326053
(CHEMBL608533 | PKC-412)Show SMILES CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/m1/s1 | PDB
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Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for JAK3(JH1domain-catalytic) kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50308060
(16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-4,1...)Show SMILES C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C26H21N3O4/c1-25-26(32,12-30)10-18(33-25)28-16-8-4-2-6-13(16)20-21-15(11-27-24(21)31)19-14-7-3-5-9-17(14)29(25)23(19)22(20)28/h2-9,18,30,32H,10-12H2,1H3,(H,27,31)/t18-,25+,26+/m1/s1 | PDB
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Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for JAK3(JH1domain-catalytic) kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB
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Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for JAK3(JH1domain-catalytic) kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50026612
(BIBF-1120 | Nintedanib | US10981896, Compound Nint...)Show SMILES COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1 Show InChI InChI=1S/C31H33N5O4/c1-34-15-17-36(18-16-34)20-27(37)35(2)24-12-10-23(11-13-24)32-29(21-7-5-4-6-8-21)28-25-14-9-22(31(39)40-3)19-26(25)33-30(28)38/h4-14,19,32H,15-18,20H2,1-3H3,(H,33,38)/b29-28- | PDB
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| n/a | n/a | n/a | 8.20 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for JAK3(JH1domain-catalytic) kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB
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Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for JAK3(Kin.Dom.2/JH1 - catalytic) kinase domain |
Nat Biotechnol 26: 127-32 (2008)
Article DOI: 10.1038/nbt1358
BindingDB Entry DOI: 10.7270/Q2TT4RX2 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50326053
(CHEMBL608533 | PKC-412)Show SMILES CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/m1/s1 | PDB
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| n/a | n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for JAK3(Kin.Dom.2/JH1 - catalytic) kinase domain |
Nat Biotechnol 26: 127-32 (2008)
Article DOI: 10.1038/nbt1358
BindingDB Entry DOI: 10.7270/Q2TT4RX2 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50131843
(CHEMBL3633152)Show SMILES COc1cc(OCCN(C)C)ccc1Nc1ncc2c(C)cc(=O)n(-c3cccc(NC(=O)C=C)c3)c2n1 Show InChI InChI=1S/C28H30N6O4/c1-6-25(35)30-19-8-7-9-20(15-19)34-26(36)14-18(2)22-17-29-28(32-27(22)34)31-23-11-10-21(16-24(23)37-5)38-13-12-33(3)4/h6-11,14-17H,1,12-13H2,2-5H3,(H,30,35)(H,29,31,32) | PDB
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| n/a | n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity against delta opioid receptor in mouse hot plate test |
ACS Med Chem Lett 6: 987-92 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00193
BindingDB Entry DOI: 10.7270/Q21C1ZPN |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50383274
(CHEMBL1229592 | US10167264, WZ4002 | US9670213, WZ...)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C25H27ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,33)(H,27,29,30) | PDB
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Harvard Medical School
Curated by ChEMBL
| Assay Description
Binding affinity to JAK3 (unknown origin) |
J Med Chem 58: 6589-606 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50122318
(BMS-911543)Show SMILES CCn1c(cc2c1nc(Nc1cc(C)n(C)n1)c1ncn(C)c21)C(=O)N(C1CC1)C1CC1 Show InChI InChI=1S/C23H28N8O/c1-5-30-17(23(32)31(14-6-7-14)15-8-9-15)11-16-20-19(24-12-28(20)3)21(26-22(16)30)25-18-10-13(2)29(4)27-18/h10-12,14-15H,5-9H2,1-4H3,(H,25,26,27) | PDB
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| n/a | n/a | n/a | 360 | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Binding affinity to JAK3 (unknown origin) assessed as dissociation constant |
ACS Med Chem Lett 6: 850-5 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00226
BindingDB Entry DOI: 10.7270/Q2CJ8G8Z |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50273931
(3-((3S,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)Show SMILES C[C@@H]1CCN(C[C@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r| Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13-/m1/s1 | PDB
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| n/a | n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a |
National Human Genome Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of JAK3 |
J Med Chem 51: 8012-8 (2008)
Article DOI: 10.1021/jm801142b
BindingDB Entry DOI: 10.7270/Q29W0FB7 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50273930
(3-((3S,4S)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)Show SMILES C[C@H]1CCN(C[C@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r| Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m0/s1 | PDB
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National Human Genome Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of JAK3 |
J Med Chem 51: 8012-8 (2008)
Article DOI: 10.1021/jm801142b
BindingDB Entry DOI: 10.7270/Q29W0FB7 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50273894
(3-((3R,4S)-3-((1H-Indol-4-yl)(methyl)amino)-4-meth...)Show SMILES C[C@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r| Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13-/m0/s1 | PDB
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National Human Genome Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of JAK3 |
J Med Chem 51: 8012-8 (2008)
Article DOI: 10.1021/jm801142b
BindingDB Entry DOI: 10.7270/Q29W0FB7 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50300690
(1-(5-Tert-Butyl-1,2-Oxazol-3-Yl)-3-(4-{7-[2-(Morph...)Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1 Show InChI InChI=1S/C29H32N6O4S/c1-29(2,3)25-17-26(33-39-25)32-27(36)30-20-6-4-19(5-7-20)22-18-35-23-9-8-21(16-24(23)40-28(35)31-22)38-15-12-34-10-13-37-14-11-34/h4-9,16-18H,10-15H2,1-3H3,(H2,30,32,33,36) | PDB
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Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding affinity to JH1 catalytic domain of JAK3 |
Blood 114: 2984-92 (2009)
Article DOI: 10.1182/blood-2009-05-222034
BindingDB Entry DOI: 10.7270/Q2PN95V2 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50326054
(CHEMBL1240703)Show SMILES CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4[C@H](O)NC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C35H30N4O5/c1-35-31(43-3)23(37(2)34(42)18-11-5-4-6-12-18)17-24(44-35)38-21-15-9-7-13-19(21)25-27-28(33(41)36-32(27)40)26-20-14-8-10-16-22(20)39(35)30(26)29(25)38/h4-16,23-24,31,33,41H,17H2,1-3H3,(H,36,40)/t23-,24-,31-,33+,35+/m1/s1 | PDB
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| n/a | n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding affinity to JH1 catalytic domain of JAK3 |
Blood 114: 2984-92 (2009)
Article DOI: 10.1182/blood-2009-05-222034
BindingDB Entry DOI: 10.7270/Q2PN95V2 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM13535
(4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin...)Show SMILES COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1 Show InChI InChI=1S/C31H42N6O4/c1-23(2)41-25-10-8-24(9-11-25)34-31(38)37-17-15-36(16-18-37)30-26-20-28(39-3)29(21-27(26)32-22-33-30)40-19-7-14-35-12-5-4-6-13-35/h8-11,20-23H,4-7,12-19H2,1-3H3,(H,34,38) | PDB
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Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding affinity to JH1 catalytic domain of JAK3 |
Blood 114: 2984-92 (2009)
Article DOI: 10.1182/blood-2009-05-222034
BindingDB Entry DOI: 10.7270/Q2PN95V2 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM4814
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12- | PDB
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| n/a | n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding affinity to JH1 catalytic domain of JAK3 |
Blood 114: 2984-92 (2009)
Article DOI: 10.1182/blood-2009-05-222034
BindingDB Entry DOI: 10.7270/Q2PN95V2 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM16673
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31) | PDB
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| n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding affinity to JH1 catalytic domain of JAK3 |
Blood 114: 2984-92 (2009)
Article DOI: 10.1182/blood-2009-05-222034
BindingDB Entry DOI: 10.7270/Q2PN95V2 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM13535
(4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin...)Show SMILES COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1 Show InChI InChI=1S/C31H42N6O4/c1-23(2)41-25-10-8-24(9-11-25)34-31(38)37-17-15-36(16-18-37)30-26-20-28(39-3)29(21-27(26)32-22-33-30)40-19-7-14-35-12-5-4-6-13-35/h8-11,20-23H,4-7,12-19H2,1-3H3,(H,34,38) | PDB
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| n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for JAK3(JH1domain-catalytic) kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM26474
(5-({4-[(2,3-dimethyl-2H-indazol-6-yl)(methyl)amino...)Show SMILES CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1 Show InChI InChI=1S/C21H23N7O2S/c1-13-5-6-15(11-19(13)31(22,29)30)24-21-23-10-9-20(25-21)27(3)16-7-8-17-14(2)28(4)26-18(17)12-16/h5-12H,1-4H3,(H2,22,29,30)(H,23,24,25) | PDB
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| n/a | n/a | n/a | 6.90E+3 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for JAK3(JH1domain-catalytic) kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM21
(CHEMBL24828 | N-(4-bromo-2-fluorophenyl)-6-methoxy...)Show SMILES COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1 Show InChI InChI=1S/C22H24BrFN4O2/c1-28-7-5-14(6-8-28)12-30-21-11-19-16(10-20(21)29-2)22(26-13-25-19)27-18-4-3-15(23)9-17(18)24/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27) | PDB
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| n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for JAK3(JH1domain-catalytic) kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50355497
(AZD-6244 | CHEMBL1614701)Show SMILES Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO Show InChI InChI=1S/C17H15BrClFN4O3/c1-24-8-21-16-13(24)7-10(17(26)23-27-5-4-25)15(14(16)20)22-12-3-2-9(18)6-11(12)19/h2-3,6-8,22,25H,4-5H2,1H3,(H,23,26) | PDB
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Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for JAK3(JH1domain-catalytic) kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM25617
(N-[3-({5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl}carb...)Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F Show InChI InChI=1S/C17H14ClF2N3O3S/c1-2-5-27(25,26)23-13-4-3-12(19)14(15(13)20)16(24)11-8-22-17-10(11)6-9(18)7-21-17/h3-4,6-8,23H,2,5H2,1H3,(H,21,22) | PDB
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| n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for JAK3(JH1domain-catalytic) kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM13534
(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1 Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29) | PDB
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| n/a | n/a | n/a | 630 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for JAK3(JH1domain-catalytic) kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM25919
(BMS-345541 | BMS345541 | CHEMBL471496 | N-(2-amino...)Show InChI InChI=1S/C14H17N5/c1-9-3-4-11-12(7-9)19-10(2)8-17-14(19)13(18-11)16-6-5-15/h3-4,7-8H,5-6,15H2,1-2H3,(H,16,18) | PDB
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| n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for JAK3(JH1domain-catalytic) kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM4552
(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)Show SMILES COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31) | PDB
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| n/a | n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for JAK3(JH1domain-catalytic) kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM482158
(BDBM50242742 | TAE684)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N1CCN(C)CC1 Show InChI InChI=1S/C30H40ClN7O3S/c1-21(2)42(39,40)28-8-6-5-7-26(28)33-29-24(31)20-32-30(35-29)34-25-10-9-23(19-27(25)41-4)37-13-11-22(12-14-37)38-17-15-36(3)16-18-38/h5-10,19-22H,11-18H2,1-4H3,(H2,32,33,34,35) | PDB
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| n/a | n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for JAK3(JH1domain-catalytic) kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50355494
(CHEMBL1908396)Show SMILES COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1 Show InChI InChI=1S/C24H24N4O5S/c1-14(23-26-9-10-34-23)27-24(29)28-17-6-5-15(11-20(17)30-2)33-19-7-8-25-18-13-22(32-4)21(31-3)12-16(18)19/h5-14H,1-4H3,(H2,27,28,29) | PDB
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| n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for JAK3(JH1domain-catalytic) kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM24654
(4-N-(2,6-dichlorobenzene)-3-N-(piperidin-4-yl)-1H-...)Show SMILES Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1 Show InChI InChI=1S/C16H17Cl2N5O2/c17-10-2-1-3-11(18)13(10)15(24)22-12-8-20-23-14(12)16(25)21-9-4-6-19-7-5-9/h1-3,8-9,19H,4-7H2,(H,20,23)(H,21,25)(H,22,24) | PDB
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| n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for JAK3(JH1domain-catalytic) kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
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