Found 11 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 |
|---|
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50313159
((S)-N2-(1-(5-fluoropyrimidin-2-yl)ethyl)-N4-(5-met...)Show SMILES C[C@H](Nc1nc(Nc2ncc(C)s2)cc(n1)N1CCOCC1)c1ncc(F)cn1 |r| Show InChI InChI=1S/C18H21FN8OS/c1-11-8-22-18(29-11)25-14-7-15(27-3-5-28-6-4-27)26-17(24-14)23-12(2)16-20-9-13(19)10-21-16/h7-10,12H,3-6H2,1-2H3,(H2,22,23,24,25,26)/t12-/m0/s1 | 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 |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description
Inhibition of recombinant JAK2 kinase in presence of 5 mM ATP |
Bioorg Med Chem Lett 20: 1669-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.091
BindingDB Entry DOI: 10.7270/Q2PV6KG1 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50303054
((S)-N2-(1-(5-fluoropyrimidin-2-yl)ethyl)-N6-(5-met...)Show SMILES C[C@H](Nc1cncc(Nc2cc(C)n[nH]2)n1)c1ncc(F)cn1 |r| Show InChI InChI=1S/C14H15FN8/c1-8-3-11(23-22-8)20-13-7-16-6-12(21-13)19-9(2)14-17-4-10(15)5-18-14/h3-7,9H,1-2H3,(H3,19,20,21,22,23)/t9-/m0/s1 | 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 |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description
Inhibition of recombinant JAK2 kinase in presence of 5 mM ATP |
Bioorg Med Chem Lett 20: 1669-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.091
BindingDB Entry DOI: 10.7270/Q2PV6KG1 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50313162
((S)-N2-(1-(5-fluoropyrimidin-2-yl)ethyl)-N6-(5-met...)Show SMILES C[C@H](Nc1cncc(Nc2ncc(C)s2)n1)c1ncc(F)cn1 |r| Show InChI InChI=1S/C14H14FN7S/c1-8-3-19-14(23-8)22-12-7-16-6-11(21-12)20-9(2)13-17-4-10(15)5-18-13/h3-7,9H,1-2H3,(H2,19,20,21,22)/t9-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description
Inhibition of recombinant JAK2 kinase in presence of ATP |
Bioorg Med Chem Lett 20: 1669-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.091
BindingDB Entry DOI: 10.7270/Q2PV6KG1 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50313157
((S)-N2-(1-(5-fluoropyridin-2-yl)ethyl)-N4-(5-methy...)Show SMILES C[C@H](Nc1nc(Nc2ncc(C)s2)cc(n1)N1CCOCC1)c1ccc(F)cn1 |r| Show InChI InChI=1S/C19H22FN7OS/c1-12-10-22-19(29-12)25-16-9-17(27-5-7-28-8-6-27)26-18(24-16)23-13(2)15-4-3-14(20)11-21-15/h3-4,9-11,13H,5-8H2,1-2H3,(H2,22,23,24,25,26)/t13-/m0/s1 | 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 | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description
Inhibition of recombinant JAK2 kinase in presence of 5 mM ATP |
Bioorg Med Chem Lett 20: 1669-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.091
BindingDB Entry DOI: 10.7270/Q2PV6KG1 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50313162
((S)-N2-(1-(5-fluoropyrimidin-2-yl)ethyl)-N6-(5-met...)Show SMILES C[C@H](Nc1cncc(Nc2ncc(C)s2)n1)c1ncc(F)cn1 |r| Show InChI InChI=1S/C14H14FN7S/c1-8-3-19-14(23-8)22-12-7-16-6-11(21-12)20-9(2)13-17-4-10(15)5-18-13/h3-7,9H,1-2H3,(H2,19,20,21,22)/t9-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description
Inhibition of recombinant JAK2 kinase in presence of 5 mM ATP |
Bioorg Med Chem Lett 20: 1669-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.091
BindingDB Entry DOI: 10.7270/Q2PV6KG1 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50313157
((S)-N2-(1-(5-fluoropyridin-2-yl)ethyl)-N4-(5-methy...)Show SMILES C[C@H](Nc1nc(Nc2ncc(C)s2)cc(n1)N1CCOCC1)c1ccc(F)cn1 |r| Show InChI InChI=1S/C19H22FN7OS/c1-12-10-22-19(29-12)25-16-9-17(27-5-7-28-8-6-27)26-18(24-16)23-13(2)15-4-3-14(20)11-21-15/h3-4,9-11,13H,5-8H2,1-2H3,(H2,22,23,24,25,26)/t13-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 20: 1669-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.091
BindingDB Entry DOI: 10.7270/Q2PV6KG1 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50313160
((S)-N2-(1-(5-fluoropyridin-2-yl)ethyl)-6-(4-methyl...)Show SMILES C[C@H](Nc1nc(Nc2ncc(C)s2)cc(n1)N1CCN(C)CC1)c1ccc(F)cn1 |r| Show InChI InChI=1S/C20H25FN8S/c1-13-11-23-20(30-13)26-17-10-18(29-8-6-28(3)7-9-29)27-19(25-17)24-14(2)16-5-4-15(21)12-22-16/h4-5,10-12,14H,6-9H2,1-3H3,(H2,23,24,25,26,27)/t14-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 20: 1669-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.091
BindingDB Entry DOI: 10.7270/Q2PV6KG1 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50303054
((S)-N2-(1-(5-fluoropyrimidin-2-yl)ethyl)-N6-(5-met...)Show SMILES C[C@H](Nc1cncc(Nc2cc(C)n[nH]2)n1)c1ncc(F)cn1 |r| Show InChI InChI=1S/C14H15FN8/c1-8-3-11(23-22-8)20-13-7-16-6-12(21-13)19-9(2)14-17-4-10(15)5-18-14/h3-7,9H,1-2H3,(H3,19,20,21,22,23)/t9-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 20: 1669-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.091
BindingDB Entry DOI: 10.7270/Q2PV6KG1 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50313158
((S)-N2-(1-(5-fluoropyrimidin-2-yl)ethyl)-6-methoxy...)Show SMILES COc1cc(Nc2ncc(C)s2)nc(N[C@@H](C)c2ncc(F)cn2)n1 |r| Show InChI InChI=1S/C15H16FN7OS/c1-8-5-19-15(25-8)22-11-4-12(24-3)23-14(21-11)20-9(2)13-17-6-10(16)7-18-13/h4-7,9H,1-3H3,(H2,19,20,21,22,23)/t9-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >3.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 20: 1669-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.091
BindingDB Entry DOI: 10.7270/Q2PV6KG1 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50313159
((S)-N2-(1-(5-fluoropyrimidin-2-yl)ethyl)-N4-(5-met...)Show SMILES C[C@H](Nc1nc(Nc2ncc(C)s2)cc(n1)N1CCOCC1)c1ncc(F)cn1 |r| Show InChI InChI=1S/C18H21FN8OS/c1-11-8-22-18(29-11)25-14-7-15(27-3-5-28-6-4-27)26-17(24-14)23-12(2)16-20-9-13(19)10-21-16/h7-10,12H,3-6H2,1-2H3,(H2,22,23,24,25,26)/t12-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 20: 1669-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.091
BindingDB Entry DOI: 10.7270/Q2PV6KG1 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50313161
((S)-2-(2-(1-(5-fluoropyridin-2-yl)ethylamino)-6-mo...)Show SMILES C[C@H](Nc1nc(Nc2ncc(s2)C#N)cc(n1)N1CCOCC1)c1ccc(F)cn1 |r| Show InChI InChI=1S/C19H19FN8OS/c1-12(15-3-2-13(20)10-22-15)24-18-25-16(26-19-23-11-14(9-21)30-19)8-17(27-18)28-4-6-29-7-5-28/h2-3,8,10-12H,4-7H2,1H3,(H2,23,24,25,26,27)/t12-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 20: 1669-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.091
BindingDB Entry DOI: 10.7270/Q2PV6KG1 |
More data for this
Ligand-Target Pair | |
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