Found 85 hits with Last Name = 'barillari' and Initial = 'c' 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 PLK1
(Homo sapiens (Human)) | BDBM50339795
(5-(6-(1-Methylpiperidin-4-yloxy)-1H-benzo[d]imidaz...)Show SMILES CN1CCC(CC1)Oc1ccc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(s3)C(N)=O)c2c1 Show InChI InChI=1S/C26H25F3N4O3S/c1-32-10-8-17(9-11-32)36-18-6-7-20-21(12-18)33(15-31-20)23-13-22(24(37-23)25(30)34)35-14-16-4-2-3-5-19(16)26(27,28)29/h2-7,12-13,15,17H,8-11,14H2,1H3,(H2,30,34) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | <9 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of polo-like kinase 1 activity |
J Med Chem 54: 1626-39 (2011)
Article DOI: 10.1021/jm1011726 BindingDB Entry DOI: 10.7270/Q2057G7X |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM28216
(5-{6-[(1-methylpiperidin-4-yl)oxy]-1H-1,3-benzodia...)Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(OC3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C27H27F3N4O3S/c1-16(19-5-3-4-6-20(19)27(28,29)30)36-23-14-24(38-25(23)26(31)35)34-15-32-21-8-7-18(13-22(21)34)37-17-9-11-33(2)12-10-17/h3-8,13-17H,9-12H2,1-2H3,(H2,31,35)/t16-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | <9 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of polo-like kinase 1 activity |
J Med Chem 54: 1626-39 (2011)
Article DOI: 10.1021/jm1011726 BindingDB Entry DOI: 10.7270/Q2057G7X |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50339798
((+/-)-5-(1H-Benzo[d]imidazol-1-yl)-3-(1-(2-(triflu...)Show SMILES CC(Oc1cc(sc1C(N)=O)-n1cnc2ccccc12)c1ccccc1C(F)(F)F Show InChI InChI=1S/C21H16F3N3O2S/c1-12(13-6-2-3-7-14(13)21(22,23)24)29-17-10-18(30-19(17)20(25)28)27-11-26-15-8-4-5-9-16(15)27/h2-12H,1H3,(H2,25,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | <9 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of polo-like kinase 1 activity |
J Med Chem 54: 1626-39 (2011)
Article DOI: 10.1021/jm1011726 BindingDB Entry DOI: 10.7270/Q2057G7X |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Nek2
(Homo sapiens (Human)) | BDBM28216
(5-{6-[(1-methylpiperidin-4-yl)oxy]-1H-1,3-benzodia...)Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(OC3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C27H27F3N4O3S/c1-16(19-5-3-4-6-20(19)27(28,29)30)36-23-14-24(38-25(23)26(31)35)34-15-32-21-8-7-18(13-22(21)34)37-17-9-11-33(2)12-10-17/h3-8,13-17H,9-12H2,1-2H3,(H2,31,35)/t16-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of NEK2 |
J Med Chem 54: 1626-39 (2011)
Article DOI: 10.1021/jm1011726 BindingDB Entry DOI: 10.7270/Q2057G7X |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Serine/threonine-protein kinase Nek2
(Homo sapiens (Human)) | BDBM28216
(5-{6-[(1-methylpiperidin-4-yl)oxy]-1H-1,3-benzodia...)Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(OC3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C27H27F3N4O3S/c1-16(19-5-3-4-6-20(19)27(28,29)30)36-23-14-24(38-25(23)26(31)35)34-15-32-21-8-7-18(13-22(21)34)37-17-9-11-33(2)12-10-17/h3-8,13-17H,9-12H2,1-2H3,(H2,31,35)/t16-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of NEK2 autophosphorylation preincubated with compound by DELFIA assay |
J Med Chem 54: 1626-39 (2011)
Article DOI: 10.1021/jm1011726 BindingDB Entry DOI: 10.7270/Q2057G7X |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50339794
((+/-)-5-(6-(1-Methylpiperidin-4-yloxy)-1H-benzo[d]...)Show SMILES CC(Oc1cc(sc1C(N)=O)-n1cnc2ccc(OC3CCN(C)CC3)cc12)c1ccccc1 Show InChI InChI=1S/C26H28N4O3S/c1-17(18-6-4-3-5-7-18)32-23-15-24(34-25(23)26(27)31)30-16-28-21-9-8-20(14-22(21)30)33-19-10-12-29(2)13-11-19/h3-9,14-17,19H,10-13H2,1-2H3,(H2,27,31) | 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 | 66 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of polo-like kinase 1 activity |
J Med Chem 54: 1626-39 (2011)
Article DOI: 10.1021/jm1011726 BindingDB Entry DOI: 10.7270/Q2057G7X |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50339793
(3-(benzyloxy)-5-(6-(1-methylpiperidin-4-yloxy)-1H-...)Show SMILES CN1CCC(CC1)Oc1ccc2ncn(-c3cc(OCc4ccccc4)c(s3)C(N)=O)c2c1 Show InChI InChI=1S/C25H26N4O3S/c1-28-11-9-18(10-12-28)32-19-7-8-20-21(13-19)29(16-27-20)23-14-22(24(33-23)25(26)30)31-15-17-5-3-2-4-6-17/h2-8,13-14,16,18H,9-12,15H2,1H3,(H2,26,30) | 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 | 69 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of polo-like kinase 1 activity |
J Med Chem 54: 1626-39 (2011)
Article DOI: 10.1021/jm1011726 BindingDB Entry DOI: 10.7270/Q2057G7X |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Nek2
(Homo sapiens (Human)) | BDBM28216
(5-{6-[(1-methylpiperidin-4-yl)oxy]-1H-1,3-benzodia...)Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(OC3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C27H27F3N4O3S/c1-16(19-5-3-4-6-20(19)27(28,29)30)36-23-14-24(38-25(23)26(31)35)34-15-32-21-8-7-18(13-22(21)34)37-17-9-11-33(2)12-10-17/h3-8,13-17H,9-12H2,1-2H3,(H2,31,35)/t16-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of NEK2 |
J Med Chem 54: 1626-39 (2011)
Article DOI: 10.1021/jm1011726 BindingDB Entry DOI: 10.7270/Q2057G7X |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Serine/threonine-protein kinase Nek1
(Homo sapiens (Human)) | BDBM50330575
((-)-(2R,3R,4R)-1-(3-Amino-6-(3,4,5-trimethoxypheny...)Show SMILES COc1cc(cc(OC)c1OC)-c1cnc(N)c(n1)N1CC[C@H]([C@@H](C)[C@H]1C)C(O)=O |r| Show InChI InChI=1S/C21H28N4O5/c1-11-12(2)25(7-6-14(11)21(26)27)20-19(22)23-10-15(24-20)13-8-16(28-3)18(30-5)17(9-13)29-4/h8-12,14H,6-7H2,1-5H3,(H2,22,23)(H,26,27)/t11-,12+,14+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | 25 |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of NEK1 after 1 hr at room temperature by caliper method |
J Med Chem 53: 7682-98 (2010)
Article DOI: 10.1021/jm1008727 BindingDB Entry DOI: 10.7270/Q23J3D79 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50339799
((+/-)-4-(6-(1-Methylpiperidin-4-yloxy)-1H-benzo[d]...)Show SMILES CC(Oc1cc(ccc1C(N)=O)-n1cnc2ccc(OC3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F Show InChI InChI=1S/C29H29F3N4O3/c1-18(22-5-3-4-6-24(22)29(30,31)32)38-27-15-19(7-9-23(27)28(33)37)36-17-34-25-10-8-21(16-26(25)36)39-20-11-13-35(2)14-12-20/h3-10,15-18,20H,11-14H2,1-2H3,(H2,33,37) | 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 | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of polo-like kinase 1 activity |
J Med Chem 54: 1626-39 (2011)
Article DOI: 10.1021/jm1011726 BindingDB Entry DOI: 10.7270/Q2057G7X |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Nek2
(Homo sapiens (Human)) | BDBM28216
(5-{6-[(1-methylpiperidin-4-yl)oxy]-1H-1,3-benzodia...)Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(OC3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C27H27F3N4O3S/c1-16(19-5-3-4-6-20(19)27(28,29)30)36-23-14-24(38-25(23)26(31)35)34-15-32-21-8-7-18(13-22(21)34)37-17-9-11-33(2)12-10-17/h3-8,13-17H,9-12H2,1-2H3,(H2,31,35)/t16-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of NEK2 assessed as inhibition of substrate phosphorylation preincubated for 5 mins before addition of substrate by DELFIA assay |
J Med Chem 54: 1626-39 (2011)
Article DOI: 10.1021/jm1011726 BindingDB Entry DOI: 10.7270/Q2057G7X |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Serine/threonine-protein kinase Nek2
(Homo sapiens (Human)) | BDBM50330575
((-)-(2R,3R,4R)-1-(3-Amino-6-(3,4,5-trimethoxypheny...)Show SMILES COc1cc(cc(OC)c1OC)-c1cnc(N)c(n1)N1CC[C@H]([C@@H](C)[C@H]1C)C(O)=O |r| Show InChI InChI=1S/C21H28N4O5/c1-11-12(2)25(7-6-14(11)21(26)27)20-19(22)23-10-15(24-20)13-8-16(28-3)18(30-5)17(9-13)29-4/h8-12,14H,6-7H2,1-5H3,(H2,22,23)(H,26,27)/t11-,12+,14+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of NEK2 assessed as inhibition of substrate phosphorylation |
J Med Chem 53: 7682-98 (2010)
Article DOI: 10.1021/jm1008727 BindingDB Entry DOI: 10.7270/Q23J3D79 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Nek2
(Homo sapiens (Human)) | BDBM50339800
((+/-)-4-(5-(1-Methylpiperidin-4-yloxy)-1H-benzo[d]...)Show SMILES CC(Oc1cc(ccc1C(N)=O)-n1cnc2cc(OC3CCN(C)CC3)ccc12)c1ccccc1C(F)(F)F Show InChI InChI=1S/C29H29F3N4O3/c1-18(22-5-3-4-6-24(22)29(30,31)32)38-27-15-19(7-9-23(27)28(33)37)36-17-34-25-16-21(8-10-26(25)36)39-20-11-13-35(2)14-12-20/h3-10,15-18,20H,11-14H2,1-2H3,(H2,33,37) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of NEK2 autophosphorylation preincubated with compound by DELFIA assay |
J Med Chem 54: 1626-39 (2011)
Article DOI: 10.1021/jm1011726 BindingDB Entry DOI: 10.7270/Q2057G7X |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Serine/threonine-protein kinase Nek2
(Homo sapiens (Human)) | BDBM50330575
((-)-(2R,3R,4R)-1-(3-Amino-6-(3,4,5-trimethoxypheny...)Show SMILES COc1cc(cc(OC)c1OC)-c1cnc(N)c(n1)N1CC[C@H]([C@@H](C)[C@H]1C)C(O)=O |r| Show InChI InChI=1S/C21H28N4O5/c1-11-12(2)25(7-6-14(11)21(26)27)20-19(22)23-10-15(24-20)13-8-16(28-3)18(30-5)17(9-13)29-4/h8-12,14H,6-7H2,1-5H3,(H2,22,23)(H,26,27)/t11-,12+,14+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of NEK2 by microfluidic assay |
J Med Chem 53: 7682-98 (2010)
Article DOI: 10.1021/jm1008727 BindingDB Entry DOI: 10.7270/Q23J3D79 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Nek2
(Homo sapiens (Human)) | BDBM50330575
((-)-(2R,3R,4R)-1-(3-Amino-6-(3,4,5-trimethoxypheny...)Show SMILES COc1cc(cc(OC)c1OC)-c1cnc(N)c(n1)N1CC[C@H]([C@@H](C)[C@H]1C)C(O)=O |r| Show InChI InChI=1S/C21H28N4O5/c1-11-12(2)25(7-6-14(11)21(26)27)20-19(22)23-10-15(24-20)13-8-16(28-3)18(30-5)17(9-13)29-4/h8-12,14H,6-7H2,1-5H3,(H2,22,23)(H,26,27)/t11-,12+,14+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of NEK2 assessed as inhibition of substrate phosphorylation |
J Med Chem 53: 7682-98 (2010)
Article DOI: 10.1021/jm1008727 BindingDB Entry DOI: 10.7270/Q23J3D79 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Nek2
(Homo sapiens (Human)) | BDBM50339801
((R)-4-(5-(1-Methylpiperidin-4-yloxy)-1H-benzo[d]im...)Show SMILES C[C@@H](Oc1cc(ccc1C(N)=O)-n1cnc2cc(OC3CCN(C)CC3)ccc12)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C29H29F3N4O3/c1-18(22-5-3-4-6-24(22)29(30,31)32)38-27-15-19(7-9-23(27)28(33)37)36-17-34-25-16-21(8-10-26(25)36)39-20-11-13-35(2)14-12-20/h3-10,15-18,20H,11-14H2,1-2H3,(H2,33,37)/t18-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 360 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of NEK2 |
J Med Chem 54: 1626-39 (2011)
Article DOI: 10.1021/jm1011726 BindingDB Entry DOI: 10.7270/Q2057G7X |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Serine/threonine-protein kinase Nek2
(Homo sapiens (Human)) | BDBM50339803
((+/-)-4-(5-(3-(Dimethylamino)propoxy)-1H-benzo[d]i...)Show SMILES CC(Oc1cc(ccc1C(N)=O)-n1cnc2cc(OCCCN(C)C)ccc12)c1ccccc1C(F)(F)F Show InChI InChI=1S/C28H29F3N4O3/c1-18(21-7-4-5-8-23(21)28(29,30)31)38-26-15-19(9-11-22(26)27(32)36)35-17-33-24-16-20(10-12-25(24)35)37-14-6-13-34(2)3/h4-5,7-12,15-18H,6,13-14H2,1-3H3,(H2,32,36) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 380 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of NEK2 |
J Med Chem 54: 1626-39 (2011)
Article DOI: 10.1021/jm1011726 BindingDB Entry DOI: 10.7270/Q2057G7X |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Nek2
(Homo sapiens (Human)) | BDBM50330578
(1-(3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl)...)Show SMILES COc1cc(cc(OC)c1OC)-c1cnc(N)c(n1)N1CCC(CC1)C(O)=O Show InChI InChI=1S/C19H24N4O5/c1-26-14-8-12(9-15(27-2)16(14)28-3)13-10-21-17(20)18(22-13)23-6-4-11(5-7-23)19(24)25/h8-11H,4-7H2,1-3H3,(H2,20,21)(H,24,25) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 410 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of NEK2 autophosphorylation after 2 hrs by DELFIA assay |
J Med Chem 53: 7682-98 (2010)
Article DOI: 10.1021/jm1008727 BindingDB Entry DOI: 10.7270/Q23J3D79 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Serine/threonine-protein kinase Nek2
(Homo sapiens (Human)) | BDBM50339800
((+/-)-4-(5-(1-Methylpiperidin-4-yloxy)-1H-benzo[d]...)Show SMILES CC(Oc1cc(ccc1C(N)=O)-n1cnc2cc(OC3CCN(C)CC3)ccc12)c1ccccc1C(F)(F)F Show InChI InChI=1S/C29H29F3N4O3/c1-18(22-5-3-4-6-24(22)29(30,31)32)38-27-15-19(7-9-23(27)28(33)37)36-17-34-25-16-21(8-10-26(25)36)39-20-11-13-35(2)14-12-20/h3-10,15-18,20H,11-14H2,1-2H3,(H2,33,37) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 570 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of NEK2 |
J Med Chem 54: 1626-39 (2011)
Article DOI: 10.1021/jm1011726 BindingDB Entry DOI: 10.7270/Q2057G7X |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Serine/threonine-protein kinase Nek2
(Homo sapiens (Human)) | BDBM50339799
((+/-)-4-(6-(1-Methylpiperidin-4-yloxy)-1H-benzo[d]...)Show SMILES CC(Oc1cc(ccc1C(N)=O)-n1cnc2ccc(OC3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F Show InChI InChI=1S/C29H29F3N4O3/c1-18(22-5-3-4-6-24(22)29(30,31)32)38-27-15-19(7-9-23(27)28(33)37)36-17-34-25-10-8-21(16-26(25)36)39-20-11-13-35(2)14-12-20/h3-10,15-18,20H,11-14H2,1-2H3,(H2,33,37) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 660 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of NEK2 |
J Med Chem 54: 1626-39 (2011)
Article DOI: 10.1021/jm1011726 BindingDB Entry DOI: 10.7270/Q2057G7X |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Nek2
(Homo sapiens (Human)) | BDBM50330579
(4-(3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl)...)Show SMILES COc1cc(cc(OC)c1OC)-c1cnc(N)c(n1)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C20H19N3O5/c1-26-15-8-13(9-16(27-2)18(15)28-3)14-10-22-19(21)17(23-14)11-4-6-12(7-5-11)20(24)25/h4-10H,1-3H3,(H2,21,22)(H,24,25) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 710 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of NEK2 autophosphorylation after 2 hrs by DELFIA assay |
J Med Chem 53: 7682-98 (2010)
Article DOI: 10.1021/jm1008727 BindingDB Entry DOI: 10.7270/Q23J3D79 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Serine/threonine-protein kinase Nek2
(Homo sapiens (Human)) | BDBM50330595
((+)-(3R,4R)-1-(3-Amino-6-(3,4,5-trimethoxyphenyl)p...)Show SMILES COc1cc(cc(OC)c1OC)-c1cnc(N)c(n1)N1CC[C@H]([C@@H](C)C1)C(O)=O |r| Show InChI InChI=1S/C20H26N4O5/c1-11-10-24(6-5-13(11)20(25)26)19-18(21)22-9-14(23-19)12-7-15(27-2)17(29-4)16(8-12)28-3/h7-9,11,13H,5-6,10H2,1-4H3,(H2,21,22)(H,25,26)/t11-,13+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 720 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of NEK2 by microfluidic assay |
J Med Chem 53: 7682-98 (2010)
Article DOI: 10.1021/jm1008727 BindingDB Entry DOI: 10.7270/Q23J3D79 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Nek2
(Homo sapiens (Human)) | BDBM50330595
((+)-(3R,4R)-1-(3-Amino-6-(3,4,5-trimethoxyphenyl)p...)Show SMILES COc1cc(cc(OC)c1OC)-c1cnc(N)c(n1)N1CC[C@H]([C@@H](C)C1)C(O)=O |r| Show InChI InChI=1S/C20H26N4O5/c1-11-10-24(6-5-13(11)20(25)26)19-18(21)22-9-14(23-19)12-7-15(27-2)17(29-4)16(8-12)28-3/h7-9,11,13H,5-6,10H2,1-4H3,(H2,21,22)(H,25,26)/t11-,13+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 720 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of NEK2 by microfluidic assay |
J Med Chem 53: 7682-98 (2010)
Article DOI: 10.1021/jm1008727 BindingDB Entry DOI: 10.7270/Q23J3D79 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Nek2
(Homo sapiens (Human)) | BDBM50330574
(1-(3-amino-6-(3-ethylthiophen-2-yl)pyrazin-2-yl)pi...)Show InChI InChI=1S/C16H20N4O2S/c1-2-10-5-8-23-13(10)12-9-18-14(17)15(19-12)20-6-3-11(4-7-20)16(21)22/h5,8-9,11H,2-4,6-7H2,1H3,(H2,17,18)(H,21,22) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 720 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of NEK2 autophosphorylation after 2 hrs by DELFIA assay |
J Med Chem 53: 7682-98 (2010)
Article DOI: 10.1021/jm1008727 BindingDB Entry DOI: 10.7270/Q23J3D79 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Nek2
(Homo sapiens (Human)) | BDBM50330578
(1-(3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl)...)Show SMILES COc1cc(cc(OC)c1OC)-c1cnc(N)c(n1)N1CCC(CC1)C(O)=O Show InChI InChI=1S/C19H24N4O5/c1-26-14-8-12(9-15(27-2)16(14)28-3)13-10-21-17(20)18(22-13)23-6-4-11(5-7-23)19(24)25/h8-11H,4-7H2,1-3H3,(H2,20,21)(H,24,25) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 870 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of NEK2 by microfluidic assay |
J Med Chem 53: 7682-98 (2010)
Article DOI: 10.1021/jm1008727 BindingDB Entry DOI: 10.7270/Q23J3D79 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Serine/threonine-protein kinase Nek2
(Homo sapiens (Human)) | BDBM50339800
((+/-)-4-(5-(1-Methylpiperidin-4-yloxy)-1H-benzo[d]...)Show SMILES CC(Oc1cc(ccc1C(N)=O)-n1cnc2cc(OC3CCN(C)CC3)ccc12)c1ccccc1C(F)(F)F Show InChI InChI=1S/C29H29F3N4O3/c1-18(22-5-3-4-6-24(22)29(30,31)32)38-27-15-19(7-9-23(27)28(33)37)36-17-34-25-16-21(8-10-26(25)36)39-20-11-13-35(2)14-12-20/h3-10,15-18,20H,11-14H2,1-2H3,(H2,33,37) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 910 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of NEK2 assessed as inhibition of substrate phosphorylation preincubated for 5 mins before addition of substrate by DELFIA assay |
J Med Chem 54: 1626-39 (2011)
Article DOI: 10.1021/jm1011726 BindingDB Entry DOI: 10.7270/Q2057G7X |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Serine/threonine-protein kinase Nek2
(Homo sapiens (Human)) | BDBM50330578
(1-(3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl)...)Show SMILES COc1cc(cc(OC)c1OC)-c1cnc(N)c(n1)N1CCC(CC1)C(O)=O Show InChI InChI=1S/C19H24N4O5/c1-26-14-8-12(9-15(27-2)16(14)28-3)13-10-21-17(20)18(22-13)23-6-4-11(5-7-23)19(24)25/h8-11H,4-7H2,1-3H3,(H2,20,21)(H,24,25) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 940 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of NEK2 assessed as inhibition of substrate phosphorylation |
J Med Chem 53: 7682-98 (2010)
Article DOI: 10.1021/jm1008727 BindingDB Entry DOI: 10.7270/Q23J3D79 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Serine/threonine-protein kinase Nek2
(Homo sapiens (Human)) | BDBM50339795
(5-(6-(1-Methylpiperidin-4-yloxy)-1H-benzo[d]imidaz...)Show SMILES CN1CCC(CC1)Oc1ccc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(s3)C(N)=O)c2c1 Show InChI InChI=1S/C26H25F3N4O3S/c1-32-10-8-17(9-11-32)36-18-6-7-20-21(12-18)33(15-31-20)23-13-22(24(37-23)25(30)34)35-14-16-4-2-3-5-19(16)26(27,28)29/h2-7,12-13,15,17H,8-11,14H2,1H3,(H2,30,34) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 1.18E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of NEK2 |
J Med Chem 54: 1626-39 (2011)
Article DOI: 10.1021/jm1011726 BindingDB Entry DOI: 10.7270/Q2057G7X |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Serine/threonine-protein kinase Nek2
(Homo sapiens (Human)) | BDBM50330587
((+/-)-(2R,4R)-1-(3-amino-6-(3,4,5-trimethoxyphenyl...)Show SMILES COc1cc(cc(OC)c1OC)-c1cnc(N)c(n1)N1CC[C@H](C[C@H]1C)C(O)=O |r| Show InChI InChI=1S/C20H26N4O5/c1-11-7-12(20(25)26)5-6-24(11)19-18(21)22-10-14(23-19)13-8-15(27-2)17(29-4)16(9-13)28-3/h8-12H,5-7H2,1-4H3,(H2,21,22)(H,25,26)/t11-,12-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of NEK2 by microfluidic assay |
J Med Chem 53: 7682-98 (2010)
Article DOI: 10.1021/jm1008727 BindingDB Entry DOI: 10.7270/Q23J3D79 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Nek2
(Homo sapiens (Human)) | BDBM50330577
(4-(3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl)...)Show SMILES COc1cc(cc(OC)c1OC)-c1cnc(N)c(n1)-c1ccc(C(O)=O)c(C)c1 Show InChI InChI=1S/C21H21N3O5/c1-11-7-12(5-6-14(11)21(25)26)18-20(22)23-10-15(24-18)13-8-16(27-2)19(29-4)17(9-13)28-3/h5-10H,1-4H3,(H2,22,23)(H,25,26) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of NEK2 assessed as inhibition of substrate phosphorylation |
J Med Chem 53: 7682-98 (2010)
Article DOI: 10.1021/jm1008727 BindingDB Entry DOI: 10.7270/Q23J3D79 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Serine/threonine-protein kinase Nek2
(Homo sapiens (Human)) | BDBM50330576
(4-(3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl)...)Show SMILES COc1cc(ccc1C(O)=O)-c1nc(cnc1N)-c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C21H21N3O6/c1-27-15-7-11(5-6-13(15)21(25)26)18-20(22)23-10-14(24-18)12-8-16(28-2)19(30-4)17(9-12)29-3/h5-10H,1-4H3,(H2,22,23)(H,25,26) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of NEK2 autophosphorylation after 2 hrs by DELFIA assay |
J Med Chem 53: 7682-98 (2010)
Article DOI: 10.1021/jm1008727 BindingDB Entry DOI: 10.7270/Q23J3D79 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50339796
(3-Methoxy-5-(6-(1-methylpiperidin-4-yloxy)-1H-benz...)Show SMILES COc1cc(sc1C(N)=O)-n1cnc2ccc(OC3CCN(C)CC3)cc12 Show InChI InChI=1S/C19H22N4O3S/c1-22-7-5-12(6-8-22)26-13-3-4-14-15(9-13)23(11-21-14)17-10-16(25-2)18(27-17)19(20)24/h3-4,9-12H,5-8H2,1-2H3,(H2,20,24) | 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 | 1.33E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of polo-like kinase 1 activity |
J Med Chem 54: 1626-39 (2011)
Article DOI: 10.1021/jm1011726 BindingDB Entry DOI: 10.7270/Q2057G7X |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Nek2
(Homo sapiens (Human)) | BDBM50330586
((+/-)-(2R,4R)-1-(3-amino-6-(3,4,5-trimethoxyphenyl...)Show SMILES CC[C@@H]1C[C@@H](CCN1c1nc(cnc1N)-c1cc(OC)c(OC)c(OC)c1)C(O)=O |r| Show InChI InChI=1S/C21H28N4O5/c1-5-14-8-12(21(26)27)6-7-25(14)20-19(22)23-11-15(24-20)13-9-16(28-2)18(30-4)17(10-13)29-3/h9-12,14H,5-8H2,1-4H3,(H2,22,23)(H,26,27)/t12-,14-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of NEK2 by microfluidic assay |
J Med Chem 53: 7682-98 (2010)
Article DOI: 10.1021/jm1008727 BindingDB Entry DOI: 10.7270/Q23J3D79 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Nek2
(Homo sapiens (Human)) | BDBM50330591
((+/-)(3R,4R)-1-(3-amino-6-(3,4,5-trimethoxyphenyl)...)Show SMILES CC[C@H]1CN(CC[C@H]1C(O)=O)c1nc(cnc1N)-c1cc(OC)c(OC)c(OC)c1 |r| Show InChI InChI=1S/C21H28N4O5/c1-5-12-11-25(7-6-14(12)21(26)27)20-19(22)23-10-15(24-20)13-8-16(28-2)18(30-4)17(9-13)29-3/h8-10,12,14H,5-7,11H2,1-4H3,(H2,22,23)(H,26,27)/t12-,14+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of NEK2 by microfluidic assay |
J Med Chem 53: 7682-98 (2010)
Article DOI: 10.1021/jm1008727 BindingDB Entry DOI: 10.7270/Q23J3D79 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Serine/threonine-protein kinase Nek2
(Homo sapiens (Human)) | BDBM50330604
(1-(3-amino-6-(3-cyclopropylthiophen-2-yl)pyrazin-2...)Show InChI InChI=1S/C17H20N4O2S/c18-15-16(21-6-3-11(4-7-21)17(22)23)20-13(9-19-15)14-12(5-8-24-14)10-1-2-10/h5,8-11H,1-4,6-7H2,(H2,18,19)(H,22,23) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| 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 |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of NEK2 by microfluidic assay |
J Med Chem 53: 7682-98 (2010)
Article DOI: 10.1021/jm1008727 BindingDB Entry DOI: 10.7270/Q23J3D79 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Nek2
(Homo sapiens (Human)) | BDBM50330579
(4-(3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl)...)Show SMILES COc1cc(cc(OC)c1OC)-c1cnc(N)c(n1)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C20H19N3O5/c1-26-15-8-13(9-16(27-2)18(15)28-3)14-10-22-19(21)17(23-14)11-4-6-12(7-5-11)20(24)25/h4-10H,1-3H3,(H2,21,22)(H,24,25) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of NEK2 assessed as inhibition of substrate phosphorylation |
J Med Chem 53: 7682-98 (2010)
Article DOI: 10.1021/jm1008727 BindingDB Entry DOI: 10.7270/Q23J3D79 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Serine/threonine-protein kinase Nek2
(Homo sapiens (Human)) | BDBM50330574
(1-(3-amino-6-(3-ethylthiophen-2-yl)pyrazin-2-yl)pi...)Show InChI InChI=1S/C16H20N4O2S/c1-2-10-5-8-23-13(10)12-9-18-14(17)15(19-12)20-6-3-11(4-7-20)16(21)22/h5,8-9,11H,2-4,6-7H2,1H3,(H2,17,18)(H,21,22) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of NEK2 assessed as inhibition of substrate phosphorylation |
J Med Chem 53: 7682-98 (2010)
Article DOI: 10.1021/jm1008727 BindingDB Entry DOI: 10.7270/Q23J3D79 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Nek2
(Homo sapiens (Human)) | BDBM50330605
(1-(3-amino-6-(3,5-dimethoxyphenyl)pyrazin-2-yl)pip...)Show SMILES COc1cc(OC)cc(c1)-c1cnc(N)c(n1)N1CCC(CC1)C(O)=O Show InChI InChI=1S/C18H22N4O4/c1-25-13-7-12(8-14(9-13)26-2)15-10-20-16(19)17(21-15)22-5-3-11(4-6-22)18(23)24/h7-11H,3-6H2,1-2H3,(H2,19,20)(H,23,24) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of NEK2 by microfluidic assay |
J Med Chem 53: 7682-98 (2010)
Article DOI: 10.1021/jm1008727 BindingDB Entry DOI: 10.7270/Q23J3D79 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Nek2
(Homo sapiens (Human)) | BDBM50330607
(1-(3-amino-6-(3,4-dimethoxyphenyl)pyrazin-2-yl)pip...)Show SMILES COc1ccc(cc1OC)-c1cnc(N)c(n1)N1CCC(CC1)C(O)=O Show InChI InChI=1S/C18H22N4O4/c1-25-14-4-3-12(9-15(14)26-2)13-10-20-16(19)17(21-13)22-7-5-11(6-8-22)18(23)24/h3-4,9-11H,5-8H2,1-2H3,(H2,19,20)(H,23,24) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of NEK2 by microfluidic assay |
J Med Chem 53: 7682-98 (2010)
Article DOI: 10.1021/jm1008727 BindingDB Entry DOI: 10.7270/Q23J3D79 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Nek2
(Homo sapiens (Human)) | BDBM50330574
(1-(3-amino-6-(3-ethylthiophen-2-yl)pyrazin-2-yl)pi...)Show InChI InChI=1S/C16H20N4O2S/c1-2-10-5-8-23-13(10)12-9-18-14(17)15(19-12)20-6-3-11(4-7-20)16(21)22/h5,8-9,11H,2-4,6-7H2,1H3,(H2,17,18)(H,21,22) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of NEK2 by microfluidic assay |
J Med Chem 53: 7682-98 (2010)
Article DOI: 10.1021/jm1008727 BindingDB Entry DOI: 10.7270/Q23J3D79 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Nek2
(Homo sapiens (Human)) | BDBM50330577
(4-(3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl)...)Show SMILES COc1cc(cc(OC)c1OC)-c1cnc(N)c(n1)-c1ccc(C(O)=O)c(C)c1 Show InChI InChI=1S/C21H21N3O5/c1-11-7-12(5-6-14(11)21(25)26)18-20(22)23-10-15(24-18)13-8-16(27-2)19(29-4)17(9-13)28-3/h5-10H,1-4H3,(H2,22,23)(H,25,26) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of NEK2 assessed as inhibition of substrate phosphorylation |
J Med Chem 53: 7682-98 (2010)
Article DOI: 10.1021/jm1008727 BindingDB Entry DOI: 10.7270/Q23J3D79 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Serine/threonine-protein kinase Nek2
(Homo sapiens (Human)) | BDBM50330579
(4-(3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl)...)Show SMILES COc1cc(cc(OC)c1OC)-c1cnc(N)c(n1)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C20H19N3O5/c1-26-15-8-13(9-16(27-2)18(15)28-3)14-10-22-19(21)17(23-14)11-4-6-12(7-5-11)20(24)25/h4-10H,1-3H3,(H2,21,22)(H,24,25) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of NEK2 by microfluidic assay |
J Med Chem 53: 7682-98 (2010)
Article DOI: 10.1021/jm1008727 BindingDB Entry DOI: 10.7270/Q23J3D79 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Serine/threonine-protein kinase Nek2
(Homo sapiens (Human)) | BDBM50330576
(4-(3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl)...)Show SMILES COc1cc(ccc1C(O)=O)-c1nc(cnc1N)-c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C21H21N3O6/c1-27-15-7-11(5-6-13(15)21(25)26)18-20(22)23-10-14(24-18)12-8-16(28-2)19(30-4)17(9-12)29-3/h5-10H,1-4H3,(H2,22,23)(H,25,26) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of NEK2 by microfluidic assay |
J Med Chem 53: 7682-98 (2010)
Article DOI: 10.1021/jm1008727 BindingDB Entry DOI: 10.7270/Q23J3D79 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Serine/threonine-protein kinase Nek2
(Homo sapiens (Human)) | BDBM50330576
(4-(3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl)...)Show SMILES COc1cc(ccc1C(O)=O)-c1nc(cnc1N)-c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C21H21N3O6/c1-27-15-7-11(5-6-13(15)21(25)26)18-20(22)23-10-14(24-18)12-8-16(28-2)19(30-4)17(9-12)29-3/h5-10H,1-4H3,(H2,22,23)(H,25,26) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of NEK2 assessed as inhibition of substrate phosphorylation |
J Med Chem 53: 7682-98 (2010)
Article DOI: 10.1021/jm1008727 BindingDB Entry DOI: 10.7270/Q23J3D79 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Serine/threonine-protein kinase Nek2
(Homo sapiens (Human)) | BDBM50339804
((+/-)-4-(5-(1-Cyclopropylpiperidin-4-yloxy)-1H-ben...)Show SMILES CC(Oc1cc(ccc1C(N)=O)-n1cnc2cc(OC3CCN(CC3)C3CC3)ccc12)c1ccccc1C(F)(F)F Show InChI InChI=1S/C31H31F3N4O3/c1-19(24-4-2-3-5-26(24)31(32,33)34)40-29-16-21(8-10-25(29)30(35)39)38-18-36-27-17-23(9-11-28(27)38)41-22-12-14-37(15-13-22)20-6-7-20/h2-5,8-11,16-20,22H,6-7,12-15H2,1H3,(H2,35,39) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.56E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of NEK2 |
J Med Chem 54: 1626-39 (2011)
Article DOI: 10.1021/jm1011726 BindingDB Entry DOI: 10.7270/Q2057G7X |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Nek1
(Homo sapiens (Human)) | BDBM50330578
(1-(3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl)...)Show SMILES COc1cc(cc(OC)c1OC)-c1cnc(N)c(n1)N1CCC(CC1)C(O)=O Show InChI InChI=1S/C19H24N4O5/c1-26-14-8-12(9-15(27-2)16(14)28-3)13-10-21-17(20)18(22-13)23-6-4-11(5-7-23)19(24)25/h8-11H,4-7H2,1-3H3,(H2,20,21)(H,24,25) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 2.60E+3 | n/a | n/a | n/a | n/a | n/a | 25 |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of NEK1 after 1 hr at room temperature by caliper method |
J Med Chem 53: 7682-98 (2010)
Article DOI: 10.1021/jm1008727 BindingDB Entry DOI: 10.7270/Q23J3D79 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Nek2
(Homo sapiens (Human)) | BDBM50330577
(4-(3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl)...)Show SMILES COc1cc(cc(OC)c1OC)-c1cnc(N)c(n1)-c1ccc(C(O)=O)c(C)c1 Show InChI InChI=1S/C21H21N3O5/c1-11-7-12(5-6-14(11)21(25)26)18-20(22)23-10-15(24-18)13-8-16(27-2)19(29-4)17(9-13)28-3/h5-10H,1-4H3,(H2,22,23)(H,25,26) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 2.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of NEK2 by microfluidic assay |
J Med Chem 53: 7682-98 (2010)
Article DOI: 10.1021/jm1008727 BindingDB Entry DOI: 10.7270/Q23J3D79 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Serine/threonine-protein kinase Nek2
(Homo sapiens (Human)) | BDBM50330592
((+/-)-(3R,4S)-1-(3-amino-6-(3,4,5-trimethoxyphenyl...)Show SMILES COc1cc(cc(OC)c1OC)-c1cnc(N)c(n1)N1CC[C@@H]([C@@H](C)C1)C(O)=O |r| Show InChI InChI=1S/C20H26N4O5/c1-11-10-24(6-5-13(11)20(25)26)19-18(21)22-9-14(23-19)12-7-15(27-2)17(29-4)16(8-12)28-3/h7-9,11,13H,5-6,10H2,1-4H3,(H2,21,22)(H,25,26)/t11-,13-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of NEK2 by microfluidic assay |
J Med Chem 53: 7682-98 (2010)
Article DOI: 10.1021/jm1008727 BindingDB Entry DOI: 10.7270/Q23J3D79 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Nek2
(Homo sapiens (Human)) | BDBM50330580
(1-(3-amino-6-(3-cyclopentylthiophen-2-yl)pyrazin-2...)Show InChI InChI=1S/C19H24N4O2S/c20-17-18(23-8-5-13(6-9-23)19(24)25)22-15(11-21-17)16-14(7-10-26-16)12-3-1-2-4-12/h7,10-13H,1-6,8-9H2,(H2,20,21)(H,24,25) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of NEK2 by microfluidic assay |
J Med Chem 53: 7682-98 (2010)
Article DOI: 10.1021/jm1008727 BindingDB Entry DOI: 10.7270/Q23J3D79 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Nek2
(Homo sapiens (Human)) | BDBM50330583
((+)-(2S,3S,4S)-1-(3-Amino-6-(3,4,5-trimethoxypheny...)Show SMILES COc1cc(cc(OC)c1OC)-c1cnc(N)c(n1)N1CC[C@@H]([C@H](C)[C@@H]1C)C(O)=O |r| Show InChI InChI=1S/C21H28N4O5/c1-11-12(2)25(7-6-14(11)21(26)27)20-19(22)23-10-15(24-20)13-8-16(28-3)18(30-5)17(9-13)29-4/h8-12,14H,6-7H2,1-5H3,(H2,22,23)(H,26,27)/t11-,12+,14+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of NEK2 by microfluidic assay |
J Med Chem 53: 7682-98 (2010)
Article DOI: 10.1021/jm1008727 BindingDB Entry DOI: 10.7270/Q23J3D79 |
More data for this Ligand-Target Pair | |