Found 173 hits with Last Name = 'gnocchi' and Initial = 'p' 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 |
|---|
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50069316
(CHEMBL3403549 | US9688661, 1-[2-Chloro-5-(trifluor...)Show SMILES NC(=O)c1cc(cn1-c1cc(ccc1Cl)C(F)(F)F)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C18H11ClF3N5O/c19-12-2-1-10(18(20,21)22)6-13(12)27-7-9(5-14(27)16(23)28)15-11-3-4-24-17(11)26-8-25-15/h1-8H,(H2,23,28)(H,24,25,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences S.r.l.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant epitope-tagged JAK2 (808 to 1132) (unknown origin) using LPLDKDYYVVREPGQ as substrate by beta-countiing analysis in presenc... |
Bioorg Med Chem 23: 2387-407 (2015)
Article DOI: 10.1016/j.bmc.2015.03.059
BindingDB Entry DOI: 10.7270/Q2Q52RB6 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50069326
(CHEMBL3403541 | US9688661, 1-(5-Chloro-2-methylphe...)Show SMILES Cc1ccc(Cl)cc1-n1cc(cc1C(N)=O)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C18H14ClN5O/c1-10-2-3-12(19)7-14(10)24-8-11(6-15(24)17(20)25)16-13-4-5-21-18(13)23-9-22-16/h2-9H,1H3,(H2,20,25)(H,21,22,23) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences S.r.l.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant epitope-tagged JAK2 (808 to 1132) (unknown origin) using LPLDKDYYVVREPGQ as substrate by beta-countiing analysis in presenc... |
Bioorg Med Chem 23: 2387-407 (2015)
Article DOI: 10.1016/j.bmc.2015.03.059
BindingDB Entry DOI: 10.7270/Q2Q52RB6 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50069322
(CHEMBL3403545)Show SMILES CCc1ccc(Cl)cc1-n1cc(cc1C(N)=O)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C19H16ClN5O/c1-2-11-3-4-13(20)8-15(11)25-9-12(7-16(25)18(21)26)17-14-5-6-22-19(14)24-10-23-17/h3-10H,2H2,1H3,(H2,21,26)(H,22,23,24) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences S.r.l.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant epitope-tagged JAK2 (808 to 1132) (unknown origin) using LPLDKDYYVVREPGQ as substrate by beta-countiing analysis in presenc... |
Bioorg Med Chem 23: 2387-407 (2015)
Article DOI: 10.1016/j.bmc.2015.03.059
BindingDB Entry DOI: 10.7270/Q2Q52RB6 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50497782
(CHEMBL3330130)Show SMILES CCc1ccc(cc1-c1[nH]c(cc1C(N)=O)-c1ccnc(N)n1)C(F)(F)F Show InChI InChI=1S/C18H16F3N5O/c1-2-9-3-4-10(18(19,20)21)7-11(9)15-12(16(22)27)8-14(25-15)13-5-6-24-17(23)26-13/h3-8,25H,2H2,1H3,(H2,22,27)(H2,23,24,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences srl
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human JAK2 (808-1132 residues) using LPLDKDYYVVREPGQ as substrate by radiometric assay in presence of [33P]-gamma-ATP |
Bioorg Med Chem 22: 4998-5012 (2014)
Article DOI: 10.1016/j.bmc.2014.06.025
BindingDB Entry DOI: 10.7270/Q28G8PP6 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50497795
(CHEMBL3330129)Show SMILES CCc1ccc(Cl)cc1-c1[nH]c(cc1C(N)=O)-c1ccnc(N)n1 Show InChI InChI=1S/C17H16ClN5O/c1-2-9-3-4-10(18)7-11(9)15-12(16(19)24)8-14(22-15)13-5-6-21-17(20)23-13/h3-8,22H,2H2,1H3,(H2,19,24)(H2,20,21,23) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences srl
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human JAK2 (808-1132 residues) using LPLDKDYYVVREPGQ as substrate by radiometric assay in presence of [33P]-gamma-ATP |
Bioorg Med Chem 22: 4998-5012 (2014)
Article DOI: 10.1016/j.bmc.2014.06.025
BindingDB Entry DOI: 10.7270/Q28G8PP6 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50069366
(CHEMBL3403553)Show SMILES CCc1ccc(Cl)cc1-c1cc([nH]c1C(N)=O)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C19H16ClN5O/c1-2-10-3-4-11(20)7-13(10)14-8-15(25-17(14)18(21)26)16-12-5-6-22-19(12)24-9-23-16/h3-9,25H,2H2,1H3,(H2,21,26)(H,22,23,24) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences S.r.l.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant epitope-tagged JAK2 (808 to 1132) (unknown origin) using LPLDKDYYVVREPGQ as substrate by beta-countiing analysis in presenc... |
Bioorg Med Chem 23: 2387-407 (2015)
Article DOI: 10.1016/j.bmc.2015.03.059
BindingDB Entry DOI: 10.7270/Q2Q52RB6 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50069324
(CHEMBL3403543)Show InChI InChI=1S/C17H16ClN5O/c1-2-10-3-4-12(18)6-14(10)23-8-11(5-15(23)17(20)24)13-7-16(19)22-9-21-13/h3-9H,2H2,1H3,(H2,20,24)(H2,19,21,22) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences S.r.l.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant epitope-tagged JAK2 (808 to 1132) (unknown origin) using LPLDKDYYVVREPGQ as substrate by beta-countiing analysis in presenc... |
Bioorg Med Chem 23: 2387-407 (2015)
Article DOI: 10.1016/j.bmc.2015.03.059
BindingDB Entry DOI: 10.7270/Q2Q52RB6 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50497793
(CHEMBL3330125)Show SMILES NC(=O)c1cc([nH]c1-c1cc(ccc1Cl)C(F)(F)F)-c1ccnc(N)n1 Show InChI InChI=1S/C16H11ClF3N5O/c17-10-2-1-7(16(18,19)20)5-8(10)13-9(14(21)26)6-12(24-13)11-3-4-23-15(22)25-11/h1-6,24H,(H2,21,26)(H2,22,23,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences srl
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human JAK2 (808-1132 residues) using LPLDKDYYVVREPGQ as substrate by radiometric assay in presence of [33P]-gamma-ATP |
Bioorg Med Chem 22: 4998-5012 (2014)
Article DOI: 10.1016/j.bmc.2014.06.025
BindingDB Entry DOI: 10.7270/Q28G8PP6 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50069310
(CHEMBL3403552)Show SMILES Cc1ccc(Cl)cc1-c1cc([nH]c1C(N)=O)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C18H14ClN5O/c1-9-2-3-10(19)6-12(9)13-7-14(24-16(13)17(20)25)15-11-4-5-21-18(11)23-8-22-15/h2-8,24H,1H3,(H2,20,25)(H,21,22,23) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences S.r.l.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant epitope-tagged JAK2 (808 to 1132) (unknown origin) using LPLDKDYYVVREPGQ as substrate by beta-countiing analysis in presenc... |
Bioorg Med Chem 23: 2387-407 (2015)
Article DOI: 10.1016/j.bmc.2015.03.059
BindingDB Entry DOI: 10.7270/Q2Q52RB6 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50497783
(CHEMBL3330124)Show SMILES Cc1ccc(cc1-c1[nH]c(cc1C(N)=O)-c1ccnc(N)n1)C(F)(F)F Show InChI InChI=1S/C17H14F3N5O/c1-8-2-3-9(17(18,19)20)6-10(8)14-11(15(21)26)7-13(24-14)12-4-5-23-16(22)25-12/h2-7,24H,1H3,(H2,21,26)(H2,22,23,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences srl
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human JAK2 (808-1132 residues) using LPLDKDYYVVREPGQ as substrate by radiometric assay in presence of [33P]-gamma-ATP |
Bioorg Med Chem 22: 4998-5012 (2014)
Article DOI: 10.1016/j.bmc.2014.06.025
BindingDB Entry DOI: 10.7270/Q28G8PP6 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50069323
(CHEMBL3403544)Show SMILES CCc1ccc(Cl)cc1-n1cc(cc1C(N)=O)-c1cc(NC)ncn1 Show InChI InChI=1S/C18H18ClN5O/c1-3-11-4-5-13(19)7-15(11)24-9-12(6-16(24)18(20)25)14-8-17(21-2)23-10-22-14/h4-10H,3H2,1-2H3,(H2,20,25)(H,21,22,23) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences S.r.l.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant epitope-tagged JAK2 (808 to 1132) (unknown origin) using LPLDKDYYVVREPGQ as substrate by beta-countiing analysis in presenc... |
Bioorg Med Chem 23: 2387-407 (2015)
Article DOI: 10.1016/j.bmc.2015.03.059
BindingDB Entry DOI: 10.7270/Q2Q52RB6 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50497799
(CHEMBL3330122)Show SMILES NC(=O)c1cc([nH]c1-c1cc(Cl)ccc1Cl)-c1ccnc(N)n1 Show InChI InChI=1S/C15H11Cl2N5O/c16-7-1-2-10(17)8(5-7)13-9(14(18)23)6-12(21-13)11-3-4-20-15(19)22-11/h1-6,21H,(H2,18,23)(H2,19,20,22) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences srl
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human JAK2 (808-1132 residues) using LPLDKDYYVVREPGQ as substrate by radiometric assay in presence of [33P]-gamma-ATP |
Bioorg Med Chem 22: 4998-5012 (2014)
Article DOI: 10.1016/j.bmc.2014.06.025
BindingDB Entry DOI: 10.7270/Q28G8PP6 |
More data for this
Ligand-Target Pair | |
Choline kinase alpha
(Homo sapiens (Human)) | BDBM50579781
(CHEMBL5094847)Show SMILES CC1(C)Cc2nc(NC(=O)[C@H]3CC[C@H](CC3)n3cnc4c(N)nc(Cl)nc34)sc2C(C)(C)N1 |r,wU:13.16,10.9,(21.59,-25.94,;22.93,-25.18,;21.6,-24.4,;23.25,-26.69,;24.71,-27.16,;25.32,-28.56,;26.86,-28.42,;27.89,-29.57,;29.4,-29.25,;30.42,-30.4,;29.88,-27.79,;28.86,-26.64,;29.34,-25.18,;30.84,-24.87,;31.88,-26.01,;31.39,-27.48,;31.32,-23.41,;30.42,-22.16,;31.32,-20.92,;32.79,-21.4,;34.12,-20.62,;34.11,-19.08,;35.45,-21.39,;35.46,-22.94,;36.79,-23.7,;34.12,-23.71,;32.78,-22.94,;27.19,-26.9,;25.85,-26.13,;25.53,-24.64,;25.93,-23.14,;27.02,-24.23,;24.08,-24.16,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of ChoKalpha (unknown origin) by HTS assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128310
BindingDB Entry DOI: 10.7270/Q27H1PFF |
More data for this
Ligand-Target Pair | |
Choline kinase alpha
(Homo sapiens (Human)) | BDBM50579779
(CHEMBL5091519)Show SMILES Cl.Nc1nc(Cl)nc2n(cnc12)[C@@H]1CC[C@@H](CC1)C(=O)Nc1nc2CCN(Cc2s1)C1CC1 |r,wU:12.12,15.19,(65.78,-4.32,;78.94,-3.56,;78.95,-5.1,;80.28,-5.86,;80.29,-7.41,;81.63,-8.18,;78.95,-8.19,;77.62,-7.41,;76.15,-7.89,;75.25,-6.64,;76.15,-5.4,;77.62,-5.87,;75.67,-9.35,;74.17,-9.66,;73.69,-11.12,;74.71,-12.27,;76.22,-11.96,;76.71,-10.49,;74.23,-13.74,;75.25,-14.89,;72.72,-14.05,;71.69,-12.9,;70.15,-13.04,;69.54,-11.64,;68.08,-11.17,;67.76,-9.66,;68.91,-8.64,;70.37,-9.12,;70.68,-10.61,;72.01,-11.38,;68.59,-7.13,;69.08,-5.67,;67.57,-5.98,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of ChoKalpha (unknown origin) by HTS assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128310
BindingDB Entry DOI: 10.7270/Q27H1PFF |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50069344
(CHEMBL3403537 | US9688661, 4-(5-Chloro-2-methylphe...)Show SMILES Cc1ccc(Cl)cc1-c1cn(cc1C(N)=O)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C18H14ClN5O/c1-10-2-3-11(19)6-13(10)14-7-24(8-15(14)16(20)25)18-12-4-5-21-17(12)22-9-23-18/h2-9H,1H3,(H2,20,25)(H,21,22,23) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences S.r.l.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant epitope-tagged JAK2 (808 to 1132) (unknown origin) using LPLDKDYYVVREPGQ as substrate by beta-countiing analysis in presenc... |
Bioorg Med Chem 23: 2387-407 (2015)
Article DOI: 10.1016/j.bmc.2015.03.059
BindingDB Entry DOI: 10.7270/Q2Q52RB6 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50069365
(CHEMBL3330104 | US9670191, F25)Show SMILES Cc1ccc(Cl)cc1-c1[nH]c(cc1C(N)=O)-c1ccnc(N)n1 Show InChI InChI=1S/C16H14ClN5O/c1-8-2-3-9(17)6-10(8)14-11(15(18)23)7-13(21-14)12-4-5-20-16(19)22-12/h2-7,21H,1H3,(H2,18,23)(H2,19,20,22) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences srl
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human JAK2 (808-1132 residues) using LPLDKDYYVVREPGQ as substrate by radiometric assay in presence of [33P]-gamma-ATP |
Bioorg Med Chem 22: 4998-5012 (2014)
Article DOI: 10.1016/j.bmc.2014.06.025
BindingDB Entry DOI: 10.7270/Q28G8PP6 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50069365
(CHEMBL3330104 | US9670191, F25)Show SMILES Cc1ccc(Cl)cc1-c1[nH]c(cc1C(N)=O)-c1ccnc(N)n1 Show InChI InChI=1S/C16H14ClN5O/c1-8-2-3-9(17)6-10(8)14-11(15(18)23)7-13(21-14)12-4-5-20-16(19)22-12/h2-7,21H,1H3,(H2,18,23)(H2,19,20,22) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences S.r.l.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant epitope-tagged JAK2 (808 to 1132) (unknown origin) using LPLDKDYYVVREPGQ as substrate by beta-countiing analysis in presenc... |
Bioorg Med Chem 23: 2387-407 (2015)
Article DOI: 10.1016/j.bmc.2015.03.059
BindingDB Entry DOI: 10.7270/Q2Q52RB6 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Choline kinase alpha
(Homo sapiens (Human)) | BDBM50579782
(CHEMBL5078600)Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1CC[C@@H](CC1)C(=O)Nc1nc2CCOCc2s1 |r,wU:11.12,14.19,(53.68,-20.14,;53.69,-21.69,;55.03,-22.45,;55.03,-24,;56.37,-24.77,;53.69,-24.77,;52.36,-24,;50.89,-24.48,;49.99,-23.23,;50.9,-21.98,;52.36,-22.46,;50.41,-25.94,;48.91,-26.25,;48.43,-27.71,;49.45,-28.86,;50.96,-28.54,;51.45,-27.08,;48.97,-30.32,;49.99,-31.47,;47.46,-30.64,;46.43,-29.48,;44.89,-29.63,;44.28,-28.23,;42.82,-27.76,;42.51,-26.25,;43.65,-25.22,;45.11,-25.71,;45.42,-27.2,;46.76,-27.97,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of ChoKalpha (unknown origin) by HTS assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128310
BindingDB Entry DOI: 10.7270/Q27H1PFF |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50069321
(CHEMBL3403546 | US9688661, 1-(5-Chloro-2-ethylphen...)Show SMILES CCc1ccc(Cl)cc1-n1cc(cc1C(N)=O)-c1ncnn2cccc12 Show InChI InChI=1S/C19H16ClN5O/c1-2-12-5-6-14(20)9-16(12)24-10-13(8-17(24)19(21)26)18-15-4-3-7-25(15)23-11-22-18/h3-11H,2H2,1H3,(H2,21,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences S.r.l.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant epitope-tagged JAK2 (808 to 1132) (unknown origin) using LPLDKDYYVVREPGQ as substrate by beta-countiing analysis in presenc... |
Bioorg Med Chem 23: 2387-407 (2015)
Article DOI: 10.1016/j.bmc.2015.03.059
BindingDB Entry DOI: 10.7270/Q2Q52RB6 |
More data for this
Ligand-Target Pair | |
Choline kinase alpha
(Homo sapiens (Human)) | BDBM50579773
(CHEMBL5079663)Show SMILES NC(=O)Cc1ccc2nc(NC(=O)[C@H]3CC[C@H](CC3)n3cnc4c(N)nc(Cl)nc34)sc2c1 |r,wU:16.19,13.12,(25.2,-43.33,;25.51,-44.84,;26.98,-45.33,;24.36,-45.87,;24.68,-47.38,;23.53,-48.41,;23.85,-49.9,;25.3,-50.38,;25.92,-51.79,;27.46,-51.64,;28.48,-52.79,;29.99,-52.48,;31.01,-53.63,;30.47,-51.02,;29.45,-49.87,;29.93,-48.41,;31.44,-48.1,;32.47,-49.24,;31.98,-50.7,;31.91,-46.64,;31.01,-45.39,;31.92,-44.14,;33.38,-44.62,;34.71,-43.85,;34.7,-42.3,;36.05,-44.61,;36.05,-46.16,;37.39,-46.93,;34.72,-46.93,;33.38,-46.16,;27.78,-50.13,;26.44,-49.36,;26.13,-47.86,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of ChoKalpha (unknown origin) by HTS assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128310
BindingDB Entry DOI: 10.7270/Q27H1PFF |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50497796
(CHEMBL3330127)Show SMILES NC(=O)c1cc([nH]c1-c1cc(ccc1C(F)(F)F)C(F)(F)F)-c1ccnc(N)n1 Show InChI InChI=1S/C17H11F6N5O/c18-16(19,20)7-1-2-10(17(21,22)23)8(5-7)13-9(14(24)29)6-12(27-13)11-3-4-26-15(25)28-11/h1-6,27H,(H2,24,29)(H2,25,26,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences srl
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human JAK2 (808-1132 residues) using LPLDKDYYVVREPGQ as substrate by radiometric assay in presence of [33P]-gamma-ATP |
Bioorg Med Chem 22: 4998-5012 (2014)
Article DOI: 10.1016/j.bmc.2014.06.025
BindingDB Entry DOI: 10.7270/Q28G8PP6 |
More data for this
Ligand-Target Pair | |
Choline kinase alpha
(Homo sapiens (Human)) | BDBM50579777
(CHEMBL5090932)Show SMILES CN1CCc2nc(NC(=O)[C@H]3CC[C@H](CC3)n3cnc4c(N)nc(Cl)nc34)sc2C1 |r,wU:13.16,10.9,(24.36,-7.31,;24.67,-8.82,;23.53,-9.84,;23.84,-11.35,;25.3,-11.82,;25.92,-13.22,;27.46,-13.08,;28.48,-14.23,;29.99,-13.91,;31.02,-15.06,;30.47,-12.45,;29.45,-11.3,;29.93,-9.84,;31.44,-9.53,;32.47,-10.67,;31.98,-12.14,;31.92,-8.07,;31.01,-6.82,;31.92,-5.58,;33.38,-6.05,;34.71,-5.28,;34.71,-3.74,;36.05,-6.04,;36.05,-7.59,;37.39,-8.36,;34.72,-8.36,;33.38,-7.59,;27.78,-11.56,;26.44,-10.79,;26.13,-9.3,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of ChoKalpha (unknown origin) by HTS assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128310
BindingDB Entry DOI: 10.7270/Q27H1PFF |
More data for this
Ligand-Target Pair | |
Choline kinase alpha
(Homo sapiens (Human)) | BDBM50579771
(CHEMBL5077194)Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1CC[C@@H](CC1)C(=O)Nc1nc2ccc(O)cc2s1 |r,wU:11.12,14.19,(76.62,-21.9,;76.63,-23.44,;77.96,-24.2,;77.97,-25.75,;79.3,-26.52,;76.63,-26.53,;75.29,-25.76,;73.83,-26.23,;72.92,-24.98,;73.83,-23.74,;75.3,-24.22,;73.35,-27.69,;71.84,-28,;71.36,-29.46,;72.39,-30.61,;73.9,-30.3,;74.38,-28.83,;71.9,-32.08,;72.93,-33.23,;70.39,-32.39,;69.37,-31.24,;67.83,-31.38,;67.21,-29.97,;65.76,-29.49,;65.44,-28,;66.59,-26.97,;66.28,-25.46,;68.05,-27.45,;68.36,-28.95,;69.69,-29.72,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of ChoKalpha (unknown origin) by HTS assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128310
BindingDB Entry DOI: 10.7270/Q27H1PFF |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50497792
(CHEMBL3330121)Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2cc(C(N)=O)c(-c3cc(Cl)ccc3C)n2C)cc1 |(23.55,-21.98,;22.21,-21.21,;20.88,-21.99,;19.55,-21.23,;19.54,-19.69,;20.86,-18.9,;22.2,-19.67,;18.2,-18.93,;16.87,-19.71,;15.54,-18.95,;15.53,-17.41,;14.19,-16.65,;14.18,-15.11,;12.84,-14.35,;12.83,-12.81,;14.16,-12.03,;15.5,-12.79,;15.51,-14.33,;16.83,-12.01,;16.98,-10.48,;18.48,-10.15,;19.1,-8.74,;20.63,-8.57,;18.19,-7.5,;19.26,-11.48,;20.8,-11.63,;21.69,-10.38,;23.23,-10.53,;24.12,-9.28,;23.86,-11.93,;22.96,-13.18,;21.43,-13.03,;20.54,-14.28,;18.24,-12.63,;17.46,-13.95,;16.85,-16.63,;18.19,-17.38,)| Show InChI InChI=1S/C28H30ClN7O/c1-18-4-5-19(29)16-22(18)26-23(27(30)37)17-25(35(26)3)24-10-11-31-28(33-24)32-20-6-8-21(9-7-20)36-14-12-34(2)13-15-36/h4-11,16-17H,12-15H2,1-3H3,(H2,30,37)(H,31,32,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences srl
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human JAK2 (808-1132 residues) using LPLDKDYYVVREPGQ as substrate by radiometric assay in presence of [33P]-gamma-ATP |
Bioorg Med Chem 22: 4998-5012 (2014)
Article DOI: 10.1016/j.bmc.2014.06.025
BindingDB Entry DOI: 10.7270/Q28G8PP6 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Choline kinase alpha
(Homo sapiens (Human)) | BDBM50579769
(CHEMBL5075042)Show SMILES COc1ccc2nc(NC(=O)[C@H]3CC[C@H](CC3)n3cnc4c(N)nc(Cl)nc34)sc2c1 |r,wU:14.17,11.10,(24.57,-24.01,;23.42,-25.03,;23.74,-26.54,;22.59,-27.57,;22.91,-29.07,;24.36,-29.54,;24.98,-30.95,;26.52,-30.81,;27.54,-31.96,;29.05,-31.65,;30.08,-32.8,;29.53,-30.18,;28.51,-29.03,;28.99,-27.57,;30.5,-27.27,;31.53,-28.4,;31.04,-29.87,;30.97,-25.8,;30.07,-24.55,;30.98,-23.31,;32.44,-23.79,;33.77,-23.01,;33.77,-21.47,;35.11,-23.77,;35.11,-25.33,;36.45,-26.09,;33.78,-26.1,;32.44,-25.33,;26.84,-29.3,;25.5,-28.53,;25.19,-27.03,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of ChoKalpha (unknown origin) by HTS assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128310
BindingDB Entry DOI: 10.7270/Q27H1PFF |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50497794
(CHEMBL3330126)Show SMILES NC(=O)c1cc([nH]c1-c1cc(OC(F)(F)F)ccc1Cl)-c1ccnc(N)n1 Show InChI InChI=1S/C16H11ClF3N5O2/c17-10-2-1-7(27-16(18,19)20)5-8(10)13-9(14(21)26)6-12(24-13)11-3-4-23-15(22)25-11/h1-6,24H,(H2,21,26)(H2,22,23,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences srl
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human JAK2 (808-1132 residues) using LPLDKDYYVVREPGQ as substrate by radiometric assay in presence of [33P]-gamma-ATP |
Bioorg Med Chem 22: 4998-5012 (2014)
Article DOI: 10.1016/j.bmc.2014.06.025
BindingDB Entry DOI: 10.7270/Q28G8PP6 |
More data for this
Ligand-Target Pair | |
Choline kinase alpha
(Homo sapiens (Human)) | BDBM50579780
(CHEMBL5089356)Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1CC[C@@H](CC1)C(=O)Nc1nc2CCNCc2s1 |r,wU:11.12,14.19,(14.03,-18.46,;14.04,-20,;15.37,-20.77,;15.38,-22.32,;16.72,-23.09,;14.04,-23.09,;12.71,-22.32,;11.24,-22.79,;10.34,-21.55,;11.24,-20.3,;12.71,-20.78,;10.76,-24.26,;9.26,-24.57,;8.78,-26.03,;9.8,-27.18,;11.31,-26.86,;11.8,-25.4,;9.32,-28.64,;10.34,-29.79,;7.81,-28.95,;6.78,-27.8,;5.24,-27.95,;4.63,-26.54,;3.17,-26.08,;2.85,-24.57,;4,-23.54,;5.46,-24.02,;5.77,-25.52,;7.1,-26.29,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of ChoKalpha (unknown origin) by HTS assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128310
BindingDB Entry DOI: 10.7270/Q27H1PFF |
More data for this
Ligand-Target Pair | |
Choline kinase alpha
(Homo sapiens (Human)) | BDBM50579775
(CHEMBL5085262)Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1CC[C@@H](CC1)C(=O)Nc1nc2ccc(F)cc2s1 |r,wU:11.12,14.19,(75.4,-43.26,;75.4,-44.81,;76.74,-45.57,;76.75,-47.12,;78.08,-47.89,;75.41,-47.89,;74.07,-47.12,;72.61,-47.6,;71.7,-46.35,;72.61,-45.1,;74.07,-45.58,;72.13,-49.06,;70.62,-49.37,;70.14,-50.83,;71.16,-51.98,;72.68,-51.67,;73.16,-50.2,;70.68,-53.44,;71.71,-54.59,;69.17,-53.76,;68.15,-52.61,;66.61,-52.75,;65.99,-51.34,;64.54,-50.86,;64.22,-49.37,;65.37,-48.34,;65.06,-46.83,;66.83,-48.82,;67.13,-50.32,;68.47,-51.09,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of ChoKalpha (unknown origin) by HTS assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128310
BindingDB Entry DOI: 10.7270/Q27H1PFF |
More data for this
Ligand-Target Pair | |
Choline kinase alpha
(Homo sapiens (Human)) | BDBM50579757
(CHEMBL5084844)Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1CC[C@@H](CC1)C(=O)Nc1nc2ccccc2s1 |r,wU:11.12,14.19,(17.43,-18.47,;17.43,-20.01,;18.77,-20.78,;18.77,-22.33,;20.11,-23.1,;17.44,-23.1,;16.1,-22.33,;14.64,-22.8,;13.73,-21.56,;14.64,-20.31,;16.1,-20.79,;14.16,-24.27,;12.65,-24.58,;12.17,-26.03,;13.19,-27.19,;14.71,-26.87,;15.19,-25.4,;12.71,-28.65,;13.74,-29.8,;11.2,-28.96,;10.18,-27.81,;8.64,-27.96,;8.02,-26.55,;6.57,-26.07,;6.25,-24.57,;7.4,-23.55,;8.86,-24.03,;9.16,-25.53,;10.5,-26.3,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of ChoKalpha (unknown origin) by HTS assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128310
BindingDB Entry DOI: 10.7270/Q27H1PFF |
More data for this
Ligand-Target Pair | |
Choline kinase alpha
(Homo sapiens (Human)) | BDBM50579770
(CHEMBL5090132)Show SMILES COc1cccc2sc(NC(=O)[C@H]3CC[C@H](CC3)n3cnc4c(N)nc(Cl)nc34)nc12 |r,wU:15.18,12.11,(43.36,-30.19,;44.82,-30.67,;45.97,-29.64,;45.66,-28.15,;46.8,-27.12,;48.26,-27.6,;48.57,-29.1,;49.9,-29.87,;49.58,-31.39,;50.61,-32.54,;52.12,-32.22,;53.14,-33.37,;52.6,-30.76,;51.58,-29.61,;52.05,-28.15,;53.56,-27.84,;54.6,-28.98,;54.11,-30.45,;54.04,-26.38,;53.14,-25.13,;54.04,-23.88,;55.51,-24.36,;56.84,-23.59,;56.83,-22.04,;58.17,-24.35,;58.18,-25.9,;59.52,-26.67,;56.84,-26.67,;55.51,-25.9,;48.04,-31.53,;47.42,-30.12,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of ChoKalpha (unknown origin) by HTS assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128310
BindingDB Entry DOI: 10.7270/Q27H1PFF |
More data for this
Ligand-Target Pair | |
Choline kinase alpha
(Homo sapiens (Human)) | BDBM50579786
(CHEMBL5093152)Show SMILES CC1(C)Cc2nc(NC(=O)[C@H]3CC[C@H](CC3)n3cnc4c(N)nc(F)nc34)sc2C(C)(C)N1 |r,wU:13.16,10.9,(42.91,-44.68,;44.24,-43.92,;42.91,-43.14,;44.56,-45.43,;46.02,-45.89,;46.64,-47.3,;48.17,-47.15,;49.2,-48.3,;50.71,-47.99,;51.73,-49.14,;51.19,-46.53,;50.17,-45.38,;50.65,-43.92,;52.15,-43.61,;53.19,-44.75,;52.7,-46.21,;52.63,-42.15,;51.73,-40.9,;52.64,-39.66,;54.1,-40.13,;55.43,-39.36,;55.42,-37.82,;56.76,-40.12,;56.77,-41.67,;58.1,-42.44,;55.43,-42.44,;54.1,-41.67,;48.5,-45.64,;47.16,-44.87,;46.84,-43.37,;47.24,-41.88,;48.33,-42.97,;45.39,-42.89,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of ChoKalpha (unknown origin) by HTS assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128310
BindingDB Entry DOI: 10.7270/Q27H1PFF |
More data for this
Ligand-Target Pair | |
Choline kinase alpha
(Homo sapiens (Human)) | BDBM50579785
(CHEMBL5075110)Show SMILES CN1CCc2nc(NC(=O)[C@H]3CC[C@H](CC3)n3cnc4c(N)nc(F)nc34)sc2C1 |r,wU:13.16,10.9,(23.79,-42.21,;24.11,-43.72,;22.96,-44.75,;23.28,-46.25,;24.73,-46.72,;25.35,-48.13,;26.89,-47.98,;27.91,-49.13,;29.42,-48.82,;30.45,-49.97,;29.91,-47.36,;28.88,-46.2,;29.36,-44.75,;30.87,-44.44,;31.9,-45.57,;31.42,-47.04,;31.35,-42.97,;30.45,-41.73,;31.35,-40.48,;32.82,-40.96,;34.15,-40.18,;34.14,-38.64,;35.48,-40.95,;35.49,-42.5,;36.82,-43.27,;34.15,-43.27,;32.81,-42.5,;27.21,-46.47,;25.88,-45.7,;25.56,-44.2,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of ChoKalpha (unknown origin) by HTS assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128310
BindingDB Entry DOI: 10.7270/Q27H1PFF |
More data for this
Ligand-Target Pair | |
Choline kinase alpha
(Homo sapiens (Human)) | BDBM50579774
(CHEMBL5081222)Show SMILES NC(=O)c1ccc2nc(NC(=O)[C@H]3CC[C@H](CC3)n3cnc4c(N)nc(Cl)nc34)sc2c1 |r,wU:15.18,12.11,(43.29,-45.93,;44.75,-46.41,;45.9,-45.38,;45.07,-47.92,;43.92,-48.94,;44.23,-50.44,;45.68,-50.92,;46.3,-52.33,;47.84,-52.18,;48.87,-53.33,;50.38,-53.02,;51.4,-54.17,;50.86,-51.56,;49.84,-50.4,;50.32,-48.95,;51.82,-48.64,;52.86,-49.77,;52.37,-51.24,;52.3,-47.17,;51.4,-45.93,;52.31,-44.68,;53.77,-45.16,;55.1,-44.38,;55.09,-42.84,;56.44,-45.15,;56.44,-46.7,;57.78,-47.47,;55.1,-47.47,;53.77,-46.7,;48.16,-50.67,;46.83,-49.9,;46.52,-48.4,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of ChoKalpha (unknown origin) by HTS assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128310
BindingDB Entry DOI: 10.7270/Q27H1PFF |
More data for this
Ligand-Target Pair | |
Choline kinase alpha
(Homo sapiens (Human)) | BDBM50579772
(CHEMBL5088776)Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1CC[C@@H](CC1)C(=O)Nc1nc2c(O)cccc2s1 |r,wU:11.12,14.19,(14.05,-42.03,;14.05,-43.58,;15.39,-44.34,;15.4,-45.89,;16.73,-46.66,;14.06,-46.66,;12.72,-45.89,;11.26,-46.37,;10.35,-45.12,;11.26,-43.87,;12.72,-44.35,;10.78,-47.83,;9.27,-48.14,;8.79,-49.6,;9.82,-50.75,;11.33,-50.44,;11.81,-48.97,;9.33,-52.21,;10.36,-53.36,;7.82,-52.53,;6.8,-51.38,;5.26,-51.52,;4.64,-50.11,;3.19,-49.63,;2.04,-50.66,;2.87,-48.14,;4.02,-47.11,;5.48,-47.59,;5.79,-49.09,;7.12,-49.86,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of ChoKalpha (unknown origin) by HTS assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128310
BindingDB Entry DOI: 10.7270/Q27H1PFF |
More data for this
Ligand-Target Pair | |
Choline kinase alpha
(Homo sapiens (Human)) | BDBM50579784
(CHEMBL5091201)Show SMILES Cc1csc(NC(=O)[C@H]2CC[C@H](CC2)n2cnc3c(N)nc(F)nc23)n1 |r,wU:11.14,8.7,(4.23,-45.63,;5.68,-46.1,;6.83,-45.08,;8.16,-45.85,;7.84,-47.36,;8.87,-48.51,;10.37,-48.2,;11.4,-49.35,;10.86,-46.74,;9.83,-45.58,;10.31,-44.13,;11.82,-43.82,;12.86,-44.95,;12.37,-46.42,;12.3,-42.35,;11.4,-41.11,;12.3,-39.86,;13.77,-40.34,;15.1,-39.56,;15.09,-38.02,;16.43,-40.33,;16.44,-41.88,;17.77,-42.65,;15.1,-42.65,;13.76,-41.88,;6.3,-47.51,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of ChoKalpha (unknown origin) by HTS assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128310
BindingDB Entry DOI: 10.7270/Q27H1PFF |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50497790
(CHEMBL3330105)Show SMILES CNC(=O)c1cc([nH]c1-c1cc(Cl)ccc1C)-c1ccnc(N)n1 Show InChI InChI=1S/C17H16ClN5O/c1-9-3-4-10(18)7-11(9)15-12(16(24)20-2)8-14(22-15)13-5-6-21-17(19)23-13/h3-8,22H,1-2H3,(H,20,24)(H2,19,21,23) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences srl
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human JAK2 (808-1132 residues) using LPLDKDYYVVREPGQ as substrate by radiometric assay in presence of [33P]-gamma-ATP |
Bioorg Med Chem 22: 4998-5012 (2014)
Article DOI: 10.1016/j.bmc.2014.06.025
BindingDB Entry DOI: 10.7270/Q28G8PP6 |
More data for this
Ligand-Target Pair | |
Choline kinase alpha
(Homo sapiens (Human)) | BDBM50579764
(CHEMBL5086885)Show SMILES Cc1cnc(NC(=O)[C@H]2CC[C@H](CC2)n2cnc3c(N)nc(Cl)nc23)s1 |r,wU:11.14,8.7,(4.59,-8.31,;4.75,-9.84,;3.6,-10.86,;4.22,-12.27,;5.76,-12.12,;6.78,-13.27,;8.29,-12.96,;9.31,-14.11,;8.77,-11.5,;7.75,-10.35,;8.23,-8.89,;9.74,-8.58,;10.77,-9.72,;10.28,-11.19,;10.21,-7.12,;9.31,-5.87,;10.22,-4.63,;11.68,-5.11,;13.01,-4.33,;13,-2.79,;14.34,-5.1,;14.35,-6.65,;15.68,-7.41,;13.01,-7.42,;11.68,-6.65,;6.08,-10.61,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of ChoKalpha (unknown origin) by HTS assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128310
BindingDB Entry DOI: 10.7270/Q27H1PFF |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50497791
(CHEMBL3330118)Show SMILES CNc1nccc(n1)-c1cc(C(N)=O)c([nH]1)-c1cc(Cl)ccc1C Show InChI InChI=1S/C17H16ClN5O/c1-9-3-4-10(18)7-11(9)15-12(16(19)24)8-14(22-15)13-5-6-21-17(20-2)23-13/h3-8,22H,1-2H3,(H2,19,24)(H,20,21,23) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences srl
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human JAK2 (808-1132 residues) using LPLDKDYYVVREPGQ as substrate by radiometric assay in presence of [33P]-gamma-ATP |
Bioorg Med Chem 22: 4998-5012 (2014)
Article DOI: 10.1016/j.bmc.2014.06.025
BindingDB Entry DOI: 10.7270/Q28G8PP6 |
More data for this
Ligand-Target Pair | |
Choline kinase alpha
(Homo sapiens (Human)) | BDBM50579778
(CHEMBL5078057)Show SMILES CC(C)N1CCc2nc(NC(=O)[C@H]3CC[C@H](CC3)n3cnc4c(N)nc(Cl)nc34)sc2C1 |r,wU:15.18,12.11,(45.88,-7.03,;44.73,-8.05,;43.27,-7.57,;45.05,-9.56,;43.9,-10.59,;44.22,-12.09,;45.68,-12.56,;46.29,-13.97,;47.83,-13.82,;48.86,-14.97,;50.37,-14.66,;51.39,-15.81,;50.85,-13.2,;49.83,-12.04,;50.31,-10.59,;51.81,-10.28,;52.85,-11.41,;52.36,-12.88,;52.29,-8.81,;51.39,-7.57,;52.29,-6.32,;53.76,-6.8,;55.09,-6.02,;55.08,-4.48,;56.42,-6.79,;56.43,-8.34,;57.76,-9.11,;55.09,-9.11,;53.76,-8.34,;48.15,-12.31,;46.82,-11.54,;46.5,-10.04,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of ChoKalpha (unknown origin) by HTS assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128310
BindingDB Entry DOI: 10.7270/Q27H1PFF |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50497788
(CHEMBL3330108)Show SMILES CNCCNC(=O)c1cc([nH]c1-c1cc(Cl)ccc1C)-c1ccnc(N)n1 Show InChI InChI=1S/C19H21ClN6O/c1-11-3-4-12(20)9-13(11)17-14(18(27)23-8-7-22-2)10-16(25-17)15-5-6-24-19(21)26-15/h3-6,9-10,22,25H,7-8H2,1-2H3,(H,23,27)(H2,21,24,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences srl
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human JAK2 (808-1132 residues) using LPLDKDYYVVREPGQ as substrate by radiometric assay in presence of [33P]-gamma-ATP |
Bioorg Med Chem 22: 4998-5012 (2014)
Article DOI: 10.1016/j.bmc.2014.06.025
BindingDB Entry DOI: 10.7270/Q28G8PP6 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50497777
(CHEMBL3330114)Show SMILES CN1CCC(CC1)NC(=O)c1cc([nH]c1-c1cc(Cl)ccc1C)-c1ccnc(N)n1 Show InChI InChI=1S/C22H25ClN6O/c1-13-3-4-14(23)11-16(13)20-17(21(30)26-15-6-9-29(2)10-7-15)12-19(27-20)18-5-8-25-22(24)28-18/h3-5,8,11-12,15,27H,6-7,9-10H2,1-2H3,(H,26,30)(H2,24,25,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences srl
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human JAK2 (808-1132 residues) using LPLDKDYYVVREPGQ as substrate by radiometric assay in presence of [33P]-gamma-ATP |
Bioorg Med Chem 22: 4998-5012 (2014)
Article DOI: 10.1016/j.bmc.2014.06.025
BindingDB Entry DOI: 10.7270/Q28G8PP6 |
More data for this
Ligand-Target Pair | |
Choline kinase alpha
(Homo sapiens (Human)) | BDBM50579758
(CHEMBL5085127)Show SMILES Cc1csc(NC(=O)[C@H]2CC[C@H](CC2)n2cnc3c(N)nc(Cl)nc23)n1 |r,wU:11.14,8.7,(28.37,-27.42,;29.87,-27.75,;31.02,-26.72,;32.35,-27.5,;32.03,-29.01,;33.06,-30.16,;34.56,-29.85,;35.59,-31,;35.05,-28.39,;34.03,-27.23,;34.5,-25.78,;36.01,-25.47,;37.04,-26.61,;36.56,-28.07,;36.49,-24.01,;35.59,-22.76,;36.49,-21.52,;37.95,-21.99,;39.28,-21.22,;39.28,-19.68,;40.62,-21.98,;40.62,-23.53,;41.96,-24.3,;39.29,-24.3,;37.95,-23.53,;30.49,-29.16,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of ChoKalpha (unknown origin) by HTS assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128310
BindingDB Entry DOI: 10.7270/Q27H1PFF |
More data for this
Ligand-Target Pair | |
Choline kinase alpha
(Homo sapiens (Human)) | BDBM50579783
(CHEMBL5088850)Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1CC[C@@H](CC1)C(=O)Nc1nc2CCS(=O)(=O)Cc2s1 |r,wU:11.12,14.19,(78.25,-20.67,;78.26,-22.21,;79.6,-22.97,;79.6,-24.52,;80.94,-25.29,;78.26,-25.3,;76.93,-24.52,;75.46,-25,;74.56,-23.75,;75.47,-22.51,;76.93,-22.98,;74.98,-26.46,;73.48,-26.77,;73,-28.23,;74.02,-29.38,;75.53,-29.07,;76.02,-27.6,;73.54,-30.85,;74.56,-32,;72.03,-31.16,;71,-30.01,;69.46,-30.15,;68.85,-28.75,;67.39,-28.28,;67.08,-26.77,;68.21,-25.74,;67.12,-24.65,;68.62,-24.24,;69.68,-26.23,;69.99,-27.72,;71.33,-28.49,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of ChoKalpha (unknown origin) by HTS assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128310
BindingDB Entry DOI: 10.7270/Q27H1PFF |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50497800
(CHEMBL3330128)Show SMILES NC(=O)c1cc([nH]c1-c1cc(Cl)ccc1C(F)(F)F)-c1ccnc(N)n1 Show InChI InChI=1S/C16H11ClF3N5O/c17-7-1-2-10(16(18,19)20)8(5-7)13-9(14(21)26)6-12(24-13)11-3-4-23-15(22)25-11/h1-6,24H,(H2,21,26)(H2,22,23,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences srl
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human JAK2 (808-1132 residues) using LPLDKDYYVVREPGQ as substrate by radiometric assay in presence of [33P]-gamma-ATP |
Bioorg Med Chem 22: 4998-5012 (2014)
Article DOI: 10.1016/j.bmc.2014.06.025
BindingDB Entry DOI: 10.7270/Q28G8PP6 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50497781
(CHEMBL3329229)Show SMILES Cc1ccc(Cl)cc1-c1[nH]c(cc1C(=O)NCCO)-c1ccnc(N)n1 Show InChI InChI=1S/C18H18ClN5O2/c1-10-2-3-11(19)8-12(10)16-13(17(26)21-6-7-25)9-15(23-16)14-4-5-22-18(20)24-14/h2-5,8-9,23,25H,6-7H2,1H3,(H,21,26)(H2,20,22,24) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 57 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences srl
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human JAK2 (808-1132 residues) using LPLDKDYYVVREPGQ as substrate by radiometric assay in presence of [33P]-gamma-ATP |
Bioorg Med Chem 22: 4998-5012 (2014)
Article DOI: 10.1016/j.bmc.2014.06.025
BindingDB Entry DOI: 10.7270/Q28G8PP6 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50497797
(CHEMBL3330120)Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2cc(C(N)=O)c([nH]2)-c2cc(Cl)ccc2C)cc1 Show InChI InChI=1S/C27H28ClN7O/c1-17-3-4-18(28)15-21(17)25-22(26(29)36)16-24(32-25)23-9-10-30-27(33-23)31-19-5-7-20(8-6-19)35-13-11-34(2)12-14-35/h3-10,15-16,32H,11-14H2,1-2H3,(H2,29,36)(H,30,31,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 59 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences srl
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human JAK2 (808-1132 residues) using LPLDKDYYVVREPGQ as substrate by radiometric assay in presence of [33P]-gamma-ATP |
Bioorg Med Chem 22: 4998-5012 (2014)
Article DOI: 10.1016/j.bmc.2014.06.025
BindingDB Entry DOI: 10.7270/Q28G8PP6 |
More data for this
Ligand-Target Pair | |
Choline kinase alpha
(Homo sapiens (Human)) | BDBM50579765
(CHEMBL5089748)Show SMILES NC(=O)Cc1csc(NC(=O)[C@H]2CC[C@H](CC2)n2cnc3c(N)nc(Cl)nc23)n1 |r,wU:14.17,11.10,(21.85,-8.74,;20.81,-9.88,;19.31,-9.55,;21.28,-11.35,;22.78,-11.68,;23.93,-10.66,;25.26,-11.43,;24.94,-12.94,;25.96,-14.09,;27.47,-13.78,;28.5,-14.93,;27.95,-12.32,;26.93,-11.17,;27.41,-9.71,;28.92,-9.4,;29.95,-10.54,;29.46,-12,;29.39,-7.94,;28.49,-6.69,;29.4,-5.45,;30.86,-5.92,;32.19,-5.15,;32.18,-3.61,;33.52,-5.91,;33.53,-7.46,;34.86,-8.23,;32.19,-8.23,;30.86,-7.46,;23.4,-13.09,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 61 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of ChoKalpha (unknown origin) by HTS assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128310
BindingDB Entry DOI: 10.7270/Q27H1PFF |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50497780
(CHEMBL3330115)Show SMILES Cc1ccc(Cl)cc1-c1c(cc(-c2ccnc(N)n2)n1C)C(N)=O |(7.75,-7.7,;8.65,-6.44,;10.18,-6.59,;11.07,-5.34,;10.44,-3.94,;11.34,-2.69,;8.91,-3.79,;8.01,-5.04,;6.48,-4.89,;5.7,-3.56,;4.19,-3.89,;4.04,-5.43,;2.71,-6.21,;1.38,-5.44,;.05,-6.22,;.06,-7.76,;1.4,-8.52,;1.41,-10.06,;2.73,-7.75,;5.45,-6.04,;5.05,-7.52,;6.31,-2.15,;7.84,-1.98,;5.4,-.91,)| Show InChI InChI=1S/C17H16ClN5O/c1-9-3-4-10(18)7-11(9)15-12(16(19)24)8-14(23(15)2)13-5-6-21-17(20)22-13/h3-8H,1-2H3,(H2,19,24)(H2,20,21,22) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 66 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences srl
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human JAK2 (808-1132 residues) using LPLDKDYYVVREPGQ as substrate by radiometric assay in presence of [33P]-gamma-ATP |
Bioorg Med Chem 22: 4998-5012 (2014)
Article DOI: 10.1016/j.bmc.2014.06.025
BindingDB Entry DOI: 10.7270/Q28G8PP6 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50069325
(CHEMBL3403542 | US9688661, 1-(5-chloro-2-methylphe...)Show SMILES Cc1ccc(Cl)cc1-n1cc(cc1C(N)=O)-c1ncnn2cccc12 Show InChI InChI=1S/C18H14ClN5O/c1-11-4-5-13(19)8-15(11)23-9-12(7-16(23)18(20)25)17-14-3-2-6-24(14)22-10-21-17/h2-10H,1H3,(H2,20,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 68 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences S.r.l.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant epitope-tagged JAK2 (808 to 1132) (unknown origin) using LPLDKDYYVVREPGQ as substrate by beta-countiing analysis in presenc... |
Bioorg Med Chem 23: 2387-407 (2015)
Article DOI: 10.1016/j.bmc.2015.03.059
BindingDB Entry DOI: 10.7270/Q2Q52RB6 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50069318
(CHEMBL3403547 | US9688661, 4-(6-Aminopyrimidin-4-y...)Show SMILES NC(=O)c1cc(cn1-c1cc(ccc1Cl)C(F)(F)F)-c1cc(N)ncn1 Show InChI InChI=1S/C16H11ClF3N5O/c17-10-2-1-9(16(18,19)20)4-12(10)25-6-8(3-13(25)15(22)26)11-5-14(21)24-7-23-11/h1-7H,(H2,22,26)(H2,21,23,24) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 71 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences S.r.l.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant epitope-tagged JAK2 (808 to 1132) (unknown origin) using LPLDKDYYVVREPGQ as substrate by beta-countiing analysis in presenc... |
Bioorg Med Chem 23: 2387-407 (2015)
Article DOI: 10.1016/j.bmc.2015.03.059
BindingDB Entry DOI: 10.7270/Q2Q52RB6 |
More data for this
Ligand-Target Pair | |
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