Found 41 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 |
|---|
Serine/threonine-protein kinase Nek2
(Homo sapiens (Human)) | BDBM50234990
(CHEMBL4062453)Show SMILES CN(C)CCn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(C(N)=O)c(OCc2cccc(F)c2)c1 Show InChI InChI=1S/C28H27FN6O2/c1-33(2)10-11-34-17-22(15-32-34)20-8-9-35-25(16-31-27(35)14-20)21-6-7-24(28(30)36)26(13-21)37-18-19-4-3-5-23(29)12-19/h3-9,12-17H,10-11,18H2,1-2H3,(H2,30,36) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
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CHEMBL
MCE
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 |
East China Normal University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal His6-tagged full-length recombinant human NEK2 expressed in baculovirus infected sf21 cells using biotin labelled-STK-3 subs... |
Eur J Med Chem 126: 1083-1106 (2017)
Article DOI: 10.1016/j.ejmech.2016.12.026
BindingDB Entry DOI: 10.7270/Q2GT5QFN |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Nek2
(Homo sapiens (Human)) | BDBM50234994
(CHEMBL4063211)Show SMILES CN(C)CCn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(C(N)=O)c(OCc2ccccc2)c1 Show InChI InChI=1S/C28H28N6O2/c1-32(2)12-13-33-18-23(16-31-33)21-10-11-34-25(17-30-27(34)15-21)22-8-9-24(28(29)35)26(14-22)36-19-20-6-4-3-5-7-20/h3-11,14-18H,12-13,19H2,1-2H3,(H2,29,35) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal His6-tagged full-length recombinant human NEK2 expressed in baculovirus infected sf21 cells using biotin labelled-STK-3 subs... |
Eur J Med Chem 126: 1083-1106 (2017)
Article DOI: 10.1016/j.ejmech.2016.12.026
BindingDB Entry DOI: 10.7270/Q2GT5QFN |
More data for this
Ligand-Target Pair | |
Ribosomal protein S6 kinase alpha-1
(Homo sapiens (Human)) | BDBM50234990
(CHEMBL4062453)Show SMILES CN(C)CCn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(C(N)=O)c(OCc2cccc(F)c2)c1 Show InChI InChI=1S/C28H27FN6O2/c1-33(2)10-11-34-17-22(15-32-34)20-8-9-35-25(16-31-27(35)14-20)21-6-7-24(28(30)36)26(13-21)37-18-19-4-3-5-23(29)12-19/h3-9,12-17H,10-11,18H2,1-2H3,(H2,30,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
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CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.40 | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description
Inhibition of RSK1 (unknown origin) |
Eur J Med Chem 126: 1083-1106 (2017)
Article DOI: 10.1016/j.ejmech.2016.12.026
BindingDB Entry DOI: 10.7270/Q2GT5QFN |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50234990
(CHEMBL4062453)Show SMILES CN(C)CCn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(C(N)=O)c(OCc2cccc(F)c2)c1 Show InChI InChI=1S/C28H27FN6O2/c1-33(2)10-11-34-17-22(15-32-34)20-8-9-35-25(16-31-27(35)14-20)21-6-7-24(28(30)36)26(13-21)37-18-19-4-3-5-23(29)12-19/h3-9,12-17H,10-11,18H2,1-2H3,(H2,30,36) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.5 | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description
Inhibition of DYRK1A (unknown origin) |
Eur J Med Chem 126: 1083-1106 (2017)
Article DOI: 10.1016/j.ejmech.2016.12.026
BindingDB Entry DOI: 10.7270/Q2GT5QFN |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Nek2
(Homo sapiens (Human)) | BDBM50235015
(CHEMBL4091089)Show SMILES CN(C)CCn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(C(N)=O)c(OCc2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C29H27F3N6O2/c1-36(2)10-11-37-17-22(15-35-37)20-8-9-38-25(16-34-27(38)14-20)21-6-7-24(28(33)39)26(13-21)40-18-19-4-3-5-23(12-19)29(30,31)32/h3-9,12-17H,10-11,18H2,1-2H3,(H2,33,39) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal His6-tagged full-length recombinant human NEK2 expressed in baculovirus infected sf21 cells using biotin labelled-STK-3 subs... |
Eur J Med Chem 126: 1083-1106 (2017)
Article DOI: 10.1016/j.ejmech.2016.12.026
BindingDB Entry DOI: 10.7270/Q2GT5QFN |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50234990
(CHEMBL4062453)Show SMILES CN(C)CCn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(C(N)=O)c(OCc2cccc(F)c2)c1 Show InChI InChI=1S/C28H27FN6O2/c1-33(2)10-11-34-17-22(15-32-34)20-8-9-35-25(16-31-27(35)14-20)21-6-7-24(28(30)36)26(13-21)37-18-19-4-3-5-23(29)12-19/h3-9,12-17H,10-11,18H2,1-2H3,(H2,30,36) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
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 |
East China Normal University
Curated by ChEMBL
| Assay Description
Inhibition of ABL (unknown origin) |
Eur J Med Chem 126: 1083-1106 (2017)
Article DOI: 10.1016/j.ejmech.2016.12.026
BindingDB Entry DOI: 10.7270/Q2GT5QFN |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50234990
(CHEMBL4062453)Show SMILES CN(C)CCn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(C(N)=O)c(OCc2cccc(F)c2)c1 Show InChI InChI=1S/C28H27FN6O2/c1-33(2)10-11-34-17-22(15-32-34)20-8-9-35-25(16-31-27(35)14-20)21-6-7-24(28(30)36)26(13-21)37-18-19-4-3-5-23(29)12-19/h3-9,12-17H,10-11,18H2,1-2H3,(H2,30,36) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 57 | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description
Inhibition of CHK1 (unknown origin) |
Eur J Med Chem 126: 1083-1106 (2017)
Article DOI: 10.1016/j.ejmech.2016.12.026
BindingDB Entry DOI: 10.7270/Q2GT5QFN |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Nek2
(Homo sapiens (Human)) | BDBM50235007
(CHEMBL4087758)Show SMILES CN(C)CCn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(C(N)=O)c(OCc2ccccc2F)c1 Show InChI InChI=1S/C28H27FN6O2/c1-33(2)11-12-34-17-22(15-32-34)19-9-10-35-25(16-31-27(35)14-19)20-7-8-23(28(30)36)26(13-20)37-18-21-5-3-4-6-24(21)29/h3-10,13-17H,11-12,18H2,1-2H3,(H2,30,36) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 87 | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal His6-tagged full-length recombinant human NEK2 expressed in baculovirus infected sf21 cells using biotin labelled-STK-3 subs... |
Eur J Med Chem 126: 1083-1106 (2017)
Article DOI: 10.1016/j.ejmech.2016.12.026
BindingDB Entry DOI: 10.7270/Q2GT5QFN |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50234990
(CHEMBL4062453)Show SMILES CN(C)CCn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(C(N)=O)c(OCc2cccc(F)c2)c1 Show InChI InChI=1S/C28H27FN6O2/c1-33(2)10-11-34-17-22(15-32-34)20-8-9-35-25(16-31-27(35)14-20)21-6-7-24(28(30)36)26(13-21)37-18-19-4-3-5-23(29)12-19/h3-9,12-17H,10-11,18H2,1-2H3,(H2,30,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 91 | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description
Inhibition of GSK3beta (unknown origin) |
Eur J Med Chem 126: 1083-1106 (2017)
Article DOI: 10.1016/j.ejmech.2016.12.026
BindingDB Entry DOI: 10.7270/Q2GT5QFN |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50234990
(CHEMBL4062453)Show SMILES CN(C)CCn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(C(N)=O)c(OCc2cccc(F)c2)c1 Show InChI InChI=1S/C28H27FN6O2/c1-33(2)10-11-34-17-22(15-32-34)20-8-9-35-25(16-31-27(35)14-20)21-6-7-24(28(30)36)26(13-21)37-18-19-4-3-5-23(29)12-19/h3-9,12-17H,10-11,18H2,1-2H3,(H2,30,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 370 | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description
Inhibition of CDK2 (unknown origin) |
Eur J Med Chem 126: 1083-1106 (2017)
Article DOI: 10.1016/j.ejmech.2016.12.026
BindingDB Entry DOI: 10.7270/Q2GT5QFN |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Nek2
(Homo sapiens (Human)) | BDBM50234995
(CHEMBL4105643)Show SMILES CN(C)CCn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(C(N)=O)c(OCc2ccc(cc2)C(F)(F)F)c1 Show InChI InChI=1S/C29H27F3N6O2/c1-36(2)11-12-37-17-22(15-35-37)20-9-10-38-25(16-34-27(38)14-20)21-5-8-24(28(33)39)26(13-21)40-18-19-3-6-23(7-4-19)29(30,31)32/h3-10,13-17H,11-12,18H2,1-2H3,(H2,33,39) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 386 | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal His6-tagged full-length recombinant human NEK2 expressed in baculovirus infected sf21 cells using biotin labelled-STK-3 subs... |
Eur J Med Chem 126: 1083-1106 (2017)
Article DOI: 10.1016/j.ejmech.2016.12.026
BindingDB Entry DOI: 10.7270/Q2GT5QFN |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4
(Homo sapiens (Human)) | BDBM50234990
(CHEMBL4062453)Show SMILES CN(C)CCn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(C(N)=O)c(OCc2cccc(F)c2)c1 Show InChI InChI=1S/C28H27FN6O2/c1-33(2)10-11-34-17-22(15-32-34)20-8-9-35-25(16-31-27(35)14-20)21-6-7-24(28(30)36)26(13-21)37-18-19-4-3-5-23(29)12-19/h3-9,12-17H,10-11,18H2,1-2H3,(H2,30,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 441 | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description
Inhibition of CDK4 (unknown origin) |
Eur J Med Chem 126: 1083-1106 (2017)
Article DOI: 10.1016/j.ejmech.2016.12.026
BindingDB Entry DOI: 10.7270/Q2GT5QFN |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Nek2
(Homo sapiens (Human)) | BDBM50235003
(CHEMBL4101298)Show SMILES CN(C)CCn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(C(N)=O)c(OCc2ccccc2C(F)(F)F)c1 Show InChI InChI=1S/C29H27F3N6O2/c1-36(2)11-12-37-17-22(15-35-37)19-9-10-38-25(16-34-27(38)14-19)20-7-8-23(28(33)39)26(13-20)40-18-21-5-3-4-6-24(21)29(30,31)32/h3-10,13-17H,11-12,18H2,1-2H3,(H2,33,39) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 478 | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal His6-tagged full-length recombinant human NEK2 expressed in baculovirus infected sf21 cells using biotin labelled-STK-3 subs... |
Eur J Med Chem 126: 1083-1106 (2017)
Article DOI: 10.1016/j.ejmech.2016.12.026
BindingDB Entry DOI: 10.7270/Q2GT5QFN |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Nek2
(Homo sapiens (Human)) | BDBM50235010
(CHEMBL4062949)Show SMILES C[C@@H](Oc1cc(ccc1C(N)=O)-c1cnc2cc(OC3CCN(C)CC3)ccn12)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C29H29F3N4O3/c1-18(22-5-3-4-6-24(22)29(30,31)32)38-26-15-19(7-8-23(26)28(33)37)25-17-34-27-16-21(11-14-36(25)27)39-20-9-12-35(2)13-10-20/h3-8,11,14-18,20H,9-10,12-13H2,1-2H3,(H2,33,37)/t18-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 591 | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal His6-tagged full-length recombinant human NEK2 expressed in baculovirus infected sf21 cells using biotin labelled-STK-3 subs... |
Eur J Med Chem 126: 1083-1106 (2017)
Article DOI: 10.1016/j.ejmech.2016.12.026
BindingDB Entry DOI: 10.7270/Q2GT5QFN |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50234990
(CHEMBL4062453)Show SMILES CN(C)CCn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(C(N)=O)c(OCc2cccc(F)c2)c1 Show InChI InChI=1S/C28H27FN6O2/c1-33(2)10-11-34-17-22(15-32-34)20-8-9-35-25(16-31-27(35)14-20)21-6-7-24(28(30)36)26(13-21)37-18-19-4-3-5-23(29)12-19/h3-9,12-17H,10-11,18H2,1-2H3,(H2,30,36) | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet
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CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 608 | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description
Inhibition of AKT1 (unknown origin) |
Eur J Med Chem 126: 1083-1106 (2017)
Article DOI: 10.1016/j.ejmech.2016.12.026
BindingDB Entry DOI: 10.7270/Q2GT5QFN |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Nek2
(Homo sapiens (Human)) | BDBM50234998
(CHEMBL4065063)Show SMILES CN1CCC(CC1)Oc1ccn2c(cnc2c1)-c1ccc(C(N)=O)c(OCc2ccccc2)c1 Show InChI InChI=1S/C27H28N4O3/c1-30-12-9-21(10-13-30)34-22-11-14-31-24(17-29-26(31)16-22)20-7-8-23(27(28)32)25(15-20)33-18-19-5-3-2-4-6-19/h2-8,11,14-17,21H,9-10,12-13,18H2,1H3,(H2,28,32) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 808 | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal His6-tagged full-length recombinant human NEK2 expressed in baculovirus infected sf21 cells using biotin labelled-STK-3 subs... |
Eur J Med Chem 126: 1083-1106 (2017)
Article DOI: 10.1016/j.ejmech.2016.12.026
BindingDB Entry DOI: 10.7270/Q2GT5QFN |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Nek2
(Homo sapiens (Human)) | BDBM50234992
(CHEMBL4102393)Show SMILES CN1CCC(CC1)Oc1ccn2c(cnc2c1)-c1ccc(C(N)=O)c(OCc2ccccc2C(F)(F)F)c1 Show InChI InChI=1S/C28H27F3N4O3/c1-34-11-8-20(9-12-34)38-21-10-13-35-24(16-33-26(35)15-21)18-6-7-22(27(32)36)25(14-18)37-17-19-4-2-3-5-23(19)28(29,30)31/h2-7,10,13-16,20H,8-9,11-12,17H2,1H3,(H2,32,36) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 838 | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal His6-tagged full-length recombinant human NEK2 expressed in baculovirus infected sf21 cells using biotin labelled-STK-3 subs... |
Eur J Med Chem 126: 1083-1106 (2017)
Article DOI: 10.1016/j.ejmech.2016.12.026
BindingDB Entry DOI: 10.7270/Q2GT5QFN |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Nek2
(Homo sapiens (Human)) | BDBM50234997
(CHEMBL4083300)Show SMILES C[C@@H](Oc1cc(ccc1C(N)=O)-c1cnc2cc(ccn12)-c1cnn(CCN(C)C)c1)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C30H29F3N6O2/c1-19(23-6-4-5-7-25(23)30(31,32)33)41-27-14-21(8-9-24(27)29(34)40)26-17-35-28-15-20(10-11-39(26)28)22-16-36-38(18-22)13-12-37(2)3/h4-11,14-19H,12-13H2,1-3H3,(H2,34,40)/t19-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 927 | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal His6-tagged full-length recombinant human NEK2 expressed in baculovirus infected sf21 cells using biotin labelled-STK-3 subs... |
Eur J Med Chem 126: 1083-1106 (2017)
Article DOI: 10.1016/j.ejmech.2016.12.026
BindingDB Entry DOI: 10.7270/Q2GT5QFN |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Nek2
(Homo sapiens (Human)) | BDBM50235012
(CHEMBL4076354)Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)Oc1ccn2c(cnc2c1)-c1ccc(C(N)=O)c(OCc2ccccc2C(F)(F)F)c1 Show InChI InChI=1S/C32H33F3N4O5/c1-31(2,3)44-30(41)38-13-10-22(11-14-38)43-23-12-15-39-26(18-37-28(39)17-23)20-8-9-24(29(36)40)27(16-20)42-19-21-6-4-5-7-25(21)32(33,34)35/h4-9,12,15-18,22H,10-11,13-14,19H2,1-3H3,(H2,36,40) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.04E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal His6-tagged full-length recombinant human NEK2 expressed in baculovirus infected sf21 cells using biotin labelled-STK-3 subs... |
Eur J Med Chem 126: 1083-1106 (2017)
Article DOI: 10.1016/j.ejmech.2016.12.026
BindingDB Entry DOI: 10.7270/Q2GT5QFN |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Nek2
(Homo sapiens (Human)) | BDBM50235005
(CHEMBL4082341)Show SMILES C[C@@H](Oc1cc(ccc1C(N)=O)-c1cnc2cc(ccn12)N1CCN(C)CC1)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C28H28F3N5O2/c1-18(21-5-3-4-6-23(21)28(29,30)31)38-25-15-19(7-8-22(25)27(32)37)24-17-33-26-16-20(9-10-36(24)26)35-13-11-34(2)12-14-35/h3-10,15-18H,11-14H2,1-2H3,(H2,32,37)/t18-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.19E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal His6-tagged full-length recombinant human NEK2 expressed in baculovirus infected sf21 cells using biotin labelled-STK-3 subs... |
Eur J Med Chem 126: 1083-1106 (2017)
Article DOI: 10.1016/j.ejmech.2016.12.026
BindingDB Entry DOI: 10.7270/Q2GT5QFN |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Nek2
(Homo sapiens (Human)) | BDBM50234991
(CHEMBL4098835)Show SMILES CN1CCN(CC1)c1ccn2c(cnc2c1)-c1ccc(C(=O)NCCN)c(OCc2ccccc2C(F)(F)F)c1 Show InChI InChI=1S/C29H31F3N6O2/c1-36-12-14-37(15-13-36)22-8-11-38-25(18-35-27(38)17-22)20-6-7-23(28(39)34-10-9-33)26(16-20)40-19-21-4-2-3-5-24(21)29(30,31)32/h2-8,11,16-18H,9-10,12-15,19,33H2,1H3,(H,34,39) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal His6-tagged full-length recombinant human NEK2 expressed in baculovirus infected sf21 cells using biotin labelled-STK-3 subs... |
Eur J Med Chem 126: 1083-1106 (2017)
Article DOI: 10.1016/j.ejmech.2016.12.026
BindingDB Entry DOI: 10.7270/Q2GT5QFN |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Nek2
(Homo sapiens (Human)) | BDBM50234999
(CHEMBL4084616)Show SMILES CC(Oc1cc(ccc1C(N)=O)-c1cnc2cc(OC3CCN(C)CC3)ccn12)c1ccccc1C(F)(F)F Show InChI InChI=1S/C29H29F3N4O3/c1-18(22-5-3-4-6-24(22)29(30,31)32)38-26-15-19(7-8-23(26)28(33)37)25-17-34-27-16-21(11-14-36(25)27)39-20-9-12-35(2)13-10-20/h3-8,11,14-18,20H,9-10,12-13H2,1-2H3,(H2,33,37) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal His6-tagged full-length recombinant human NEK2 expressed in baculovirus infected sf21 cells using biotin labelled-STK-3 subs... |
Eur J Med Chem 126: 1083-1106 (2017)
Article DOI: 10.1016/j.ejmech.2016.12.026
BindingDB Entry DOI: 10.7270/Q2GT5QFN |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Nek2
(Homo sapiens (Human)) | BDBM50235006
(CHEMBL4064022)Show SMILES CC(Oc1cc(ccc1C(N)=O)-c1cnc2cc(ccn12)N1CCN(C)CC1)c1ccccc1C(F)(F)F Show InChI InChI=1S/C28H28F3N5O2/c1-18(21-5-3-4-6-23(21)28(29,30)31)38-25-15-19(7-8-22(25)27(32)37)24-17-33-26-16-20(9-10-36(24)26)35-13-11-34(2)12-14-35/h3-10,15-18H,11-14H2,1-2H3,(H2,32,37) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.17E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal His6-tagged full-length recombinant human NEK2 expressed in baculovirus infected sf21 cells using biotin labelled-STK-3 subs... |
Eur J Med Chem 126: 1083-1106 (2017)
Article DOI: 10.1016/j.ejmech.2016.12.026
BindingDB Entry DOI: 10.7270/Q2GT5QFN |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Nek2
(Homo sapiens (Human)) | BDBM50235011
(CHEMBL4076233)Show SMILES CN1CCN(CC1)c1ccn2c(cnc2c1)-c1ccc(C(N)=O)c(OCc2ccccc2C(F)(F)F)c1 Show InChI InChI=1S/C27H26F3N5O2/c1-33-10-12-34(13-11-33)20-8-9-35-23(16-32-25(35)15-20)18-6-7-21(26(31)36)24(14-18)37-17-19-4-2-3-5-22(19)27(28,29)30/h2-9,14-16H,10-13,17H2,1H3,(H2,31,36) | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
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UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal His6-tagged full-length recombinant human NEK2 expressed in baculovirus infected sf21 cells using biotin labelled-STK-3 subs... |
Eur J Med Chem 126: 1083-1106 (2017)
Article DOI: 10.1016/j.ejmech.2016.12.026
BindingDB Entry DOI: 10.7270/Q2GT5QFN |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Nek2
(Homo sapiens (Human)) | BDBM50235014
(CHEMBL4060438)Show SMILES CN1CCN(CC1)c1ccn2c(cnc2c1)-c1ccc(C(N)=O)c(OCc2ccccc2)c1 Show InChI InChI=1S/C26H27N5O2/c1-29-11-13-30(14-12-29)21-9-10-31-23(17-28-25(31)16-21)20-7-8-22(26(27)32)24(15-20)33-18-19-5-3-2-4-6-19/h2-10,15-17H,11-14,18H2,1H3,(H2,27,32) | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.21E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal His6-tagged full-length recombinant human NEK2 expressed in baculovirus infected sf21 cells using biotin labelled-STK-3 subs... |
Eur J Med Chem 126: 1083-1106 (2017)
Article DOI: 10.1016/j.ejmech.2016.12.026
BindingDB Entry DOI: 10.7270/Q2GT5QFN |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50234990
(CHEMBL4062453)Show SMILES CN(C)CCn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(C(N)=O)c(OCc2cccc(F)c2)c1 Show InChI InChI=1S/C28H27FN6O2/c1-33(2)10-11-34-17-22(15-32-34)20-8-9-35-25(16-31-27(35)14-20)21-6-7-24(28(30)36)26(13-21)37-18-19-4-3-5-23(29)12-19/h3-9,12-17H,10-11,18H2,1-2H3,(H2,30,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A (unknown origin) |
Eur J Med Chem 126: 1083-1106 (2017)
Article DOI: 10.1016/j.ejmech.2016.12.026
BindingDB Entry DOI: 10.7270/Q2GT5QFN |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50234994
(CHEMBL4063211)Show SMILES CN(C)CCn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(C(N)=O)c(OCc2ccccc2)c1 Show InChI InChI=1S/C28H28N6O2/c1-32(2)12-13-33-18-23(16-31-33)21-10-11-34-25(17-30-27(34)15-21)22-8-9-24(28(29)35)26(14-22)36-19-20-6-4-3-5-7-20/h3-11,14-18H,12-13,19H2,1-2H3,(H2,29,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A (unknown origin) |
Eur J Med Chem 126: 1083-1106 (2017)
Article DOI: 10.1016/j.ejmech.2016.12.026
BindingDB Entry DOI: 10.7270/Q2GT5QFN |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50234990
(CHEMBL4062453)Show SMILES CN(C)CCn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(C(N)=O)c(OCc2cccc(F)c2)c1 Show InChI InChI=1S/C28H27FN6O2/c1-33(2)10-11-34-17-22(15-32-34)20-8-9-35-25(16-31-27(35)14-20)21-6-7-24(28(30)36)26(13-21)37-18-19-4-3-5-23(29)12-19/h3-9,12-17H,10-11,18H2,1-2H3,(H2,30,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.23E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) |
Eur J Med Chem 126: 1083-1106 (2017)
Article DOI: 10.1016/j.ejmech.2016.12.026
BindingDB Entry DOI: 10.7270/Q2GT5QFN |
More data for this
Ligand-Target Pair | |
MAP kinase-activated protein kinase 2
(Homo sapiens (Human)) | BDBM50234990
(CHEMBL4062453)Show SMILES CN(C)CCn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(C(N)=O)c(OCc2cccc(F)c2)c1 Show InChI InChI=1S/C28H27FN6O2/c1-33(2)10-11-34-17-22(15-32-34)20-8-9-35-25(16-31-27(35)14-20)21-6-7-24(28(30)36)26(13-21)37-18-19-4-3-5-23(29)12-19/h3-9,12-17H,10-11,18H2,1-2H3,(H2,30,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description
Inhibition of MAPKAPK2 (unknown origin) |
Eur J Med Chem 126: 1083-1106 (2017)
Article DOI: 10.1016/j.ejmech.2016.12.026
BindingDB Entry DOI: 10.7270/Q2GT5QFN |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50234990
(CHEMBL4062453)Show SMILES CN(C)CCn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(C(N)=O)c(OCc2cccc(F)c2)c1 Show InChI InChI=1S/C28H27FN6O2/c1-33(2)10-11-34-17-22(15-32-34)20-8-9-35-25(16-31-27(35)14-20)21-6-7-24(28(30)36)26(13-21)37-18-19-4-3-5-23(29)12-19/h3-9,12-17H,10-11,18H2,1-2H3,(H2,30,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description
Inhibition of P38alpha (unknown origin) |
Eur J Med Chem 126: 1083-1106 (2017)
Article DOI: 10.1016/j.ejmech.2016.12.026
BindingDB Entry DOI: 10.7270/Q2GT5QFN |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Nek2
(Homo sapiens (Human)) | BDBM50235004
(CHEMBL4071842)Show SMILES CN1CCN(CC1)c1ccn2c(cnc2c1)-c1ccc(C(=O)NO)c(OCc2ccccc2C(F)(F)F)c1 Show InChI InChI=1S/C27H26F3N5O3/c1-33-10-12-34(13-11-33)20-8-9-35-23(16-31-25(35)15-20)18-6-7-21(26(36)32-37)24(14-18)38-17-19-4-2-3-5-22(19)27(28,29)30/h2-9,14-16,37H,10-13,17H2,1H3,(H,32,36) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal His6-tagged full-length recombinant human NEK2 expressed in baculovirus infected sf21 cells using biotin labelled-STK-3 subs... |
Eur J Med Chem 126: 1083-1106 (2017)
Article DOI: 10.1016/j.ejmech.2016.12.026
BindingDB Entry DOI: 10.7270/Q2GT5QFN |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50235007
(CHEMBL4087758)Show SMILES CN(C)CCn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(C(N)=O)c(OCc2ccccc2F)c1 Show InChI InChI=1S/C28H27FN6O2/c1-33(2)11-12-34-17-22(15-32-34)19-9-10-35-25(16-31-27(35)14-19)20-7-8-23(28(30)36)26(13-20)37-18-21-5-3-4-6-24(21)29/h3-10,13-17H,11-12,18H2,1-2H3,(H2,30,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A (unknown origin) |
Eur J Med Chem 126: 1083-1106 (2017)
Article DOI: 10.1016/j.ejmech.2016.12.026
BindingDB Entry DOI: 10.7270/Q2GT5QFN |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50235015
(CHEMBL4091089)Show SMILES CN(C)CCn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(C(N)=O)c(OCc2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C29H27F3N6O2/c1-36(2)10-11-37-17-22(15-35-37)20-8-9-38-25(16-34-27(38)14-20)21-6-7-24(28(33)39)26(13-21)40-18-19-4-3-5-23(12-19)29(30,31)32/h3-9,12-17H,10-11,18H2,1-2H3,(H2,33,39) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A (unknown origin) |
Eur J Med Chem 126: 1083-1106 (2017)
Article DOI: 10.1016/j.ejmech.2016.12.026
BindingDB Entry DOI: 10.7270/Q2GT5QFN |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Nek2
(Homo sapiens (Human)) | BDBM50235001
(CHEMBL4094275)Show SMILES C[C@H](Oc1cc(ccc1C(N)=O)-c1cnc2cc(OC3CCN(C)CC3)ccn12)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C29H29F3N4O3/c1-18(22-5-3-4-6-24(22)29(30,31)32)38-26-15-19(7-8-23(26)28(33)37)25-17-34-27-16-21(11-14-36(25)27)39-20-9-12-35(2)13-10-20/h3-8,11,14-18,20H,9-10,12-13H2,1-2H3,(H2,33,37)/t18-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal His6-tagged full-length recombinant human NEK2 expressed in baculovirus infected sf21 cells using biotin labelled-STK-3 subs... |
Eur J Med Chem 126: 1083-1106 (2017)
Article DOI: 10.1016/j.ejmech.2016.12.026
BindingDB Entry DOI: 10.7270/Q2GT5QFN |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Nek2
(Homo sapiens (Human)) | BDBM50234996
(CHEMBL4083100)Show SMILES CN1CCN(CC1)c1ccn2c(cnc2c1)-c1ccc(C(O)=O)c(OCc2ccccc2C(F)(F)F)c1 Show InChI InChI=1S/C27H25F3N4O3/c1-32-10-12-33(13-11-32)20-8-9-34-23(16-31-25(34)15-20)18-6-7-21(26(35)36)24(14-18)37-17-19-4-2-3-5-22(19)27(28,29)30/h2-9,14-16H,10-13,17H2,1H3,(H,35,36) | PDB
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UniChem
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PubMed
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal His6-tagged full-length recombinant human NEK2 expressed in baculovirus infected sf21 cells using biotin labelled-STK-3 subs... |
Eur J Med Chem 126: 1083-1106 (2017)
Article DOI: 10.1016/j.ejmech.2016.12.026
BindingDB Entry DOI: 10.7270/Q2GT5QFN |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Nek2
(Homo sapiens (Human)) | BDBM50235013
(CHEMBL4086508)Show SMILES OC(=O)C(F)(F)F.NC(=O)c1ccc(cc1OCc1ccccc1C(F)(F)F)-c1cnc2cc(OC3CCNCC3)ccn12 Show InChI InChI=1S/C27H25F3N4O3/c28-27(29,30)22-4-2-1-3-18(22)16-36-24-13-17(5-6-21(24)26(31)35)23-15-33-25-14-20(9-12-34(23)25)37-19-7-10-32-11-8-19/h1-6,9,12-15,19,32H,7-8,10-11,16H2,(H2,31,35) | PDB
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PubMed
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal His6-tagged full-length recombinant human NEK2 expressed in baculovirus infected sf21 cells using biotin labelled-STK-3 subs... |
Eur J Med Chem 126: 1083-1106 (2017)
Article DOI: 10.1016/j.ejmech.2016.12.026
BindingDB Entry DOI: 10.7270/Q2GT5QFN |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Nek2
(Homo sapiens (Human)) | BDBM50235002
(CHEMBL4073648)Show SMILES C[C@@H](Oc1cc(ccc1C(N)=O)-c1cnc2cc(OC3CCN(CC3)C(=O)OC(C)(C)C)ccn12)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C33H35F3N4O5/c1-20(24-7-5-6-8-26(24)33(34,35)36)43-28-17-21(9-10-25(28)30(37)41)27-19-38-29-18-23(13-16-40(27)29)44-22-11-14-39(15-12-22)31(42)45-32(2,3)4/h5-10,13,16-20,22H,11-12,14-15H2,1-4H3,(H2,37,41)/t20-/m1/s1 | PDB
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UniChem
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PubMed
| n/a | n/a | 1.12E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal His6-tagged full-length recombinant human NEK2 expressed in baculovirus infected sf21 cells using biotin labelled-STK-3 subs... |
Eur J Med Chem 126: 1083-1106 (2017)
Article DOI: 10.1016/j.ejmech.2016.12.026
BindingDB Entry DOI: 10.7270/Q2GT5QFN |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Nek2
(Homo sapiens (Human)) | BDBM50235016
(CHEMBL4102006)Show SMILES COc1cc(ccc1C(N)=O)-c1cnc2cc(ccn12)N1CCN(C)CC1 Show InChI InChI=1S/C20H23N5O2/c1-23-7-9-24(10-8-23)15-5-6-25-17(13-22-19(25)12-15)14-3-4-16(20(21)26)18(11-14)27-2/h3-6,11-13H,7-10H2,1-2H3,(H2,21,26) | PDB
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PubMed
| n/a | n/a | 1.93E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal His6-tagged full-length recombinant human NEK2 expressed in baculovirus infected sf21 cells using biotin labelled-STK-3 subs... |
Eur J Med Chem 126: 1083-1106 (2017)
Article DOI: 10.1016/j.ejmech.2016.12.026
BindingDB Entry DOI: 10.7270/Q2GT5QFN |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Nek2
(Homo sapiens (Human)) | BDBM50235000
(CHEMBL4091785)Show SMILES COC(=O)c1ccc(cc1OC(C)c1ccccc1C(F)(F)F)-c1cnc2cc(ccn12)N1CCN(C)CC1 Show InChI InChI=1S/C29H29F3N4O3/c1-19(22-6-4-5-7-24(22)29(30,31)32)39-26-16-20(8-9-23(26)28(37)38-3)25-18-33-27-17-21(10-11-36(25)27)35-14-12-34(2)13-15-35/h4-11,16-19H,12-15H2,1-3H3 | PDB
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PubMed
| n/a | n/a | 4.26E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal His6-tagged full-length recombinant human NEK2 expressed in baculovirus infected sf21 cells using biotin labelled-STK-3 subs... |
Eur J Med Chem 126: 1083-1106 (2017)
Article DOI: 10.1016/j.ejmech.2016.12.026
BindingDB Entry DOI: 10.7270/Q2GT5QFN |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Nek2
(Homo sapiens (Human)) | BDBM50235009
(CHEMBL4061228)Show SMILES CNC(=O)c1ccc(cc1OC(C)c1ccccc1C(F)(F)F)-c1cnc2cc(ccn12)N1CCN(C)CC1 Show InChI InChI=1S/C29H30F3N5O2/c1-19(22-6-4-5-7-24(22)29(30,31)32)39-26-16-20(8-9-23(26)28(38)33-2)25-18-34-27-17-21(10-11-37(25)27)36-14-12-35(3)13-15-36/h4-11,16-19H,12-15H2,1-3H3,(H,33,38) | PDB
UniProtKB/SwissProt
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PC cid
PC sid
UniChem
Similars
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PubMed
| n/a | n/a | 1.97E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal His6-tagged full-length recombinant human NEK2 expressed in baculovirus infected sf21 cells using biotin labelled-STK-3 subs... |
Eur J Med Chem 126: 1083-1106 (2017)
Article DOI: 10.1016/j.ejmech.2016.12.026
BindingDB Entry DOI: 10.7270/Q2GT5QFN |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Nek2
(Homo sapiens (Human)) | BDBM50235008
(CHEMBL4091915)Show SMILES NC(=O)c1ccc(cc1OCc1ccccc1C(F)(F)F)-c1cnc2cc(Cl)ccn12 Show InChI InChI=1S/C22H15ClF3N3O2/c23-15-7-8-29-18(11-28-20(29)10-15)13-5-6-16(21(27)30)19(9-13)31-12-14-3-1-2-4-17(14)22(24,25)26/h1-11H,12H2,(H2,27,30) | PDB
UniProtKB/SwissProt
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| CHEMBL
PC cid
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PubMed
| n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal His6-tagged full-length recombinant human NEK2 expressed in baculovirus infected sf21 cells using biotin labelled-STK-3 subs... |
Eur J Med Chem 126: 1083-1106 (2017)
Article DOI: 10.1016/j.ejmech.2016.12.026
BindingDB Entry DOI: 10.7270/Q2GT5QFN |
More data for this
Ligand-Target Pair | |
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