Found 17 hits of Enzyme Inhibition Constant Data 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 |
|---|
Aurora kinase A
(Homo sapiens (Human)) | BDBM50334594
(2-(5-chloro-2-(2-methoxy-4-morpholinophenylamino)p...)Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCOCC2)ncc1Cl Show InChI InChI=1S/C23H25ClN6O3/c1-25-22(31)16-5-3-4-6-18(16)27-21-17(24)14-26-23(29-21)28-19-8-7-15(13-20(19)32-2)30-9-11-33-12-10-30/h3-8,13-14H,9-12H2,1-2H3,(H,25,31)(H2,26,27,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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CHEMBL
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MCE
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PC cid
PC sid
PDB
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Patents
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| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Kasetsart University
Curated by ChEMBL
| Assay Description
Inhibition of human AURKA |
Eur J Med Chem 124: 896-905 (2016)
Article DOI: 10.1016/j.ejmech.2016.08.055
BindingDB Entry DOI: 10.7270/Q2DF6T6Q |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM192755
(TG101209 | US11279703, TABLE 6.171 | US11643396, E...)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(C)c(Nc3cccc(c3)S(=O)(=O)NC(C)(C)C)n2)cc1 Show InChI InChI=1S/C26H35N7O2S/c1-19-18-27-25(29-20-9-11-22(12-10-20)33-15-13-32(5)14-16-33)30-24(19)28-21-7-6-8-23(17-21)36(34,35)31-26(2,3)4/h6-12,17-18,31H,13-16H2,1-5H3,(H2,27,28,29,30) | PDB
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MCE
PC cid
PC sid
PDB
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| PDB
Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Kasetsart University
Curated by ChEMBL
| Assay Description
Inhibition of human JAK2 |
Eur J Med Chem 124: 896-905 (2016)
Article DOI: 10.1016/j.ejmech.2016.08.055
BindingDB Entry DOI: 10.7270/Q2DF6T6Q |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50208589
(CHEMBL3884848)Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(Nc3cccc(C)c3)n2)cc1C Show InChI InChI=1S/C23H28N6/c1-17-5-4-6-19(15-17)25-22-9-10-24-23(27-22)26-20-7-8-21(18(2)16-20)29-13-11-28(3)12-14-29/h4-10,15-16H,11-14H2,1-3H3,(H2,24,25,26,27) | PDB
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| CHEMBL
PC cid
PC sid
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| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Kasetsart University
Curated by ChEMBL
| Assay Description
Inhibition of human JAK2 using poly (Glu:Tyr) as substrate |
Eur J Med Chem 124: 896-905 (2016)
Article DOI: 10.1016/j.ejmech.2016.08.055
BindingDB Entry DOI: 10.7270/Q2DF6T6Q |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50208590
(CHEMBL3884104)Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(Nc3cccc(c3)S(N)(=O)=O)n2)cc1C Show InChI InChI=1S/C22H27N7O2S/c1-16-14-18(6-7-20(16)29-12-10-28(2)11-13-29)26-22-24-9-8-21(27-22)25-17-4-3-5-19(15-17)32(23,30)31/h3-9,14-15H,10-13H2,1-2H3,(H2,23,30,31)(H2,24,25,26,27) | PDB
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| CHEMBL
MMDB
PC cid
PC sid
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| Article
PubMed
| n/a | n/a | 126 | n/a | n/a | n/a | n/a | n/a | n/a |
Kasetsart University
Curated by ChEMBL
| Assay Description
Inhibition of human JAK2 using poly (Glu:Tyr) as substrate |
Eur J Med Chem 124: 896-905 (2016)
Article DOI: 10.1016/j.ejmech.2016.08.055
BindingDB Entry DOI: 10.7270/Q2DF6T6Q |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50208588
(CHEMBL3884240)Show SMILES NS(=O)(=O)c1cccc(Nc2ccnc(Nc3ccc(cc3)N3CCOCC3)n2)c1 Show InChI InChI=1S/C20H22N6O3S/c21-30(27,28)18-3-1-2-16(14-18)23-19-8-9-22-20(25-19)24-15-4-6-17(7-5-15)26-10-12-29-13-11-26/h1-9,14H,10-13H2,(H2,21,27,28)(H2,22,23,24,25) | PDB
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PC cid
PC sid
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| Article
PubMed
| n/a | n/a | 129 | n/a | n/a | n/a | n/a | n/a | n/a |
Kasetsart University
Curated by ChEMBL
| Assay Description
Inhibition of human JAK2 using poly (Glu:Tyr) as substrate |
Eur J Med Chem 124: 896-905 (2016)
Article DOI: 10.1016/j.ejmech.2016.08.055
BindingDB Entry DOI: 10.7270/Q2DF6T6Q |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50208592
(CHEMBL3883652)Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(Nc3cccc(C)c3)n2)cc1 Show InChI InChI=1S/C22H26N6/c1-17-4-3-5-19(16-17)24-21-10-11-23-22(26-21)25-18-6-8-20(9-7-18)28-14-12-27(2)13-15-28/h3-11,16H,12-15H2,1-2H3,(H2,23,24,25,26) | PDB
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CHEMBL
PC cid
PC sid
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| Article
PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Kasetsart University
Curated by ChEMBL
| Assay Description
Inhibition of human JAK2 using poly (Glu:Tyr) as substrate |
Eur J Med Chem 124: 896-905 (2016)
Article DOI: 10.1016/j.ejmech.2016.08.055
BindingDB Entry DOI: 10.7270/Q2DF6T6Q |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50208589
(CHEMBL3884848)Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(Nc3cccc(C)c3)n2)cc1C Show InChI InChI=1S/C23H28N6/c1-17-5-4-6-19(15-17)25-22-9-10-24-23(27-22)26-20-7-8-21(18(2)16-20)29-13-11-28(3)12-14-29/h4-10,15-16H,11-14H2,1-3H3,(H2,24,25,26,27) | PDB
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| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kasetsart University
Curated by ChEMBL
| Assay Description
Inhibition of human JAK3 using poly (Glu:Tyr) as substrate |
Eur J Med Chem 124: 896-905 (2016)
Article DOI: 10.1016/j.ejmech.2016.08.055
BindingDB Entry DOI: 10.7270/Q2DF6T6Q |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50208592
(CHEMBL3883652)Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(Nc3cccc(C)c3)n2)cc1 Show InChI InChI=1S/C22H26N6/c1-17-4-3-5-19(16-17)24-21-10-11-23-22(26-21)25-18-6-8-20(9-7-18)28-14-12-27(2)13-15-28/h3-11,16H,12-15H2,1-2H3,(H2,23,24,25,26) | PDB
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PC cid
PC sid
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| Article
PubMed
| n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kasetsart University
Curated by ChEMBL
| Assay Description
Inhibition of human JAK3 using poly (Glu:Tyr) as substrate |
Eur J Med Chem 124: 896-905 (2016)
Article DOI: 10.1016/j.ejmech.2016.08.055
BindingDB Entry DOI: 10.7270/Q2DF6T6Q |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50208590
(CHEMBL3884104)Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(Nc3cccc(c3)S(N)(=O)=O)n2)cc1C Show InChI InChI=1S/C22H27N7O2S/c1-16-14-18(6-7-20(16)29-12-10-28(2)11-13-29)26-22-24-9-8-21(27-22)25-17-4-3-5-19(15-17)32(23,30)31/h3-9,14-15H,10-13H2,1-2H3,(H2,23,30,31)(H2,24,25,26,27) | PDB
Reactome pathway
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| CHEMBL
MMDB
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 4.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kasetsart University
Curated by ChEMBL
| Assay Description
Inhibition of human JAK3 using poly (Glu:Tyr) as substrate |
Eur J Med Chem 124: 896-905 (2016)
Article DOI: 10.1016/j.ejmech.2016.08.055
BindingDB Entry DOI: 10.7270/Q2DF6T6Q |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50208588
(CHEMBL3884240)Show SMILES NS(=O)(=O)c1cccc(Nc2ccnc(Nc3ccc(cc3)N3CCOCC3)n2)c1 Show InChI InChI=1S/C20H22N6O3S/c21-30(27,28)18-3-1-2-16(14-18)23-19-8-9-22-20(25-19)24-15-4-6-17(7-5-15)26-10-12-29-13-11-26/h1-9,14H,10-13H2,(H2,21,27,28)(H2,22,23,24,25) | PDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
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| Article
PubMed
| n/a | n/a | 7.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kasetsart University
Curated by ChEMBL
| Assay Description
Inhibition of human JAK3 using poly (Glu:Tyr) as substrate |
Eur J Med Chem 124: 896-905 (2016)
Article DOI: 10.1016/j.ejmech.2016.08.055
BindingDB Entry DOI: 10.7270/Q2DF6T6Q |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50208592
(CHEMBL3883652)Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(Nc3cccc(C)c3)n2)cc1 Show InChI InChI=1S/C22H26N6/c1-17-4-3-5-19(16-17)24-21-10-11-23-22(26-21)25-18-6-8-20(9-7-18)28-14-12-27(2)13-15-28/h3-11,16H,12-15H2,1-2H3,(H2,23,24,25,26) | PDB
MMDB
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CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Kasetsart University
Curated by ChEMBL
| Assay Description
Inhibition of human EGFR using poly (Glu:Tyr) as substrate measured for 1.5 hrs by oregon green 488 dye-based fluorescence assay |
Eur J Med Chem 124: 896-905 (2016)
Article DOI: 10.1016/j.ejmech.2016.08.055
BindingDB Entry DOI: 10.7270/Q2DF6T6Q |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50208591
(CHEMBL3885292)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(C#N)c(Nc3cccc(c3)S(=O)(=O)NC(C)(C)C)n2)cc1C Show InChI InChI=1S/C27H34N8O2S/c1-19-15-22(9-10-24(19)35-13-11-34(5)12-14-35)31-26-29-18-20(17-28)25(32-26)30-21-7-6-8-23(16-21)38(36,37)33-27(2,3)4/h6-10,15-16,18,33H,11-14H2,1-5H3,(H2,29,30,31,32) | PDB
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| CHEMBL
PC cid
PC sid
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| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Kasetsart University
Curated by ChEMBL
| Assay Description
Inhibition of human JAK2 using poly (Glu:Tyr) as substrate |
Eur J Med Chem 124: 896-905 (2016)
Article DOI: 10.1016/j.ejmech.2016.08.055
BindingDB Entry DOI: 10.7270/Q2DF6T6Q |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50208591
(CHEMBL3885292)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(C#N)c(Nc3cccc(c3)S(=O)(=O)NC(C)(C)C)n2)cc1C Show InChI InChI=1S/C27H34N8O2S/c1-19-15-22(9-10-24(19)35-13-11-34(5)12-14-35)31-26-29-18-20(17-28)25(32-26)30-21-7-6-8-23(16-21)38(36,37)33-27(2,3)4/h6-10,15-16,18,33H,11-14H2,1-5H3,(H2,29,30,31,32) | PDB
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Kasetsart University
Curated by ChEMBL
| Assay Description
Inhibition of human JAK3 using poly (Glu:Tyr) as substrate |
Eur J Med Chem 124: 896-905 (2016)
Article DOI: 10.1016/j.ejmech.2016.08.055
BindingDB Entry DOI: 10.7270/Q2DF6T6Q |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50208588
(CHEMBL3884240)Show SMILES NS(=O)(=O)c1cccc(Nc2ccnc(Nc3ccc(cc3)N3CCOCC3)n2)c1 Show InChI InChI=1S/C20H22N6O3S/c21-30(27,28)18-3-1-2-16(14-18)23-19-8-9-22-20(25-19)24-15-4-6-17(7-5-15)26-10-12-29-13-11-26/h1-9,14H,10-13H2,(H2,21,27,28)(H2,22,23,24,25) | PDB
MMDB
KEGG
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Kasetsart University
Curated by ChEMBL
| Assay Description
Inhibition of human EGFR using poly (Glu:Tyr) as substrate measured for 1.5 hrs by oregon green 488 dye-based fluorescence assay |
Eur J Med Chem 124: 896-905 (2016)
Article DOI: 10.1016/j.ejmech.2016.08.055
BindingDB Entry DOI: 10.7270/Q2DF6T6Q |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50208589
(CHEMBL3884848)Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(Nc3cccc(C)c3)n2)cc1C Show InChI InChI=1S/C23H28N6/c1-17-5-4-6-19(15-17)25-22-9-10-24-23(27-22)26-20-7-8-21(18(2)16-20)29-13-11-28(3)12-14-29/h4-10,15-16H,11-14H2,1-3H3,(H2,24,25,26,27) | PDB
MMDB
KEGG
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B.MOAD
DrugBank
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Kasetsart University
Curated by ChEMBL
| Assay Description
Inhibition of human EGFR using poly (Glu:Tyr) as substrate measured for 1.5 hrs by oregon green 488 dye-based fluorescence assay |
Eur J Med Chem 124: 896-905 (2016)
Article DOI: 10.1016/j.ejmech.2016.08.055
BindingDB Entry DOI: 10.7270/Q2DF6T6Q |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50208591
(CHEMBL3885292)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(C#N)c(Nc3cccc(c3)S(=O)(=O)NC(C)(C)C)n2)cc1C Show InChI InChI=1S/C27H34N8O2S/c1-19-15-22(9-10-24(19)35-13-11-34(5)12-14-35)31-26-29-18-20(17-28)25(32-26)30-21-7-6-8-23(16-21)38(36,37)33-27(2,3)4/h6-10,15-16,18,33H,11-14H2,1-5H3,(H2,29,30,31,32) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Kasetsart University
Curated by ChEMBL
| Assay Description
Inhibition of human EGFR using poly (Glu:Tyr) as substrate measured for 1.5 hrs by oregon green 488 dye-based fluorescence assay |
Eur J Med Chem 124: 896-905 (2016)
Article DOI: 10.1016/j.ejmech.2016.08.055
BindingDB Entry DOI: 10.7270/Q2DF6T6Q |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50208590
(CHEMBL3884104)Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(Nc3cccc(c3)S(N)(=O)=O)n2)cc1C Show InChI InChI=1S/C22H27N7O2S/c1-16-14-18(6-7-20(16)29-12-10-28(2)11-13-29)26-22-24-9-8-21(27-22)25-17-4-3-5-19(15-17)32(23,30)31/h3-9,14-15H,10-13H2,1-2H3,(H2,23,30,31)(H2,24,25,26,27) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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AffyNet
| CHEMBL
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Kasetsart University
Curated by ChEMBL
| Assay Description
Inhibition of human EGFR using poly (Glu:Tyr) as substrate measured for 1.5 hrs by oregon green 488 dye-based fluorescence assay |
Eur J Med Chem 124: 896-905 (2016)
Article DOI: 10.1016/j.ejmech.2016.08.055
BindingDB Entry DOI: 10.7270/Q2DF6T6Q |
More data for this
Ligand-Target Pair | |
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