Found 60 hits Enz. Inhib. hit(s) with all data for entry = 50031800 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 |
|---|
Angiopoietin-1 receptor
(Homo sapiens (Human)) | BDBM50319571
(CHEMBL1084451 | N-(4-(3-(2-((1-ethylpiperidin-4-yl...)Show SMILES CCN1CCC(CNc2nccc(n2)-c2cccnc2Oc2ccc(Nc3nc4ccccc4[nH]3)c3ccccc23)CC1 Show InChI InChI=1S/C34H34N8O/c1-2-42-20-16-23(17-21-42)22-37-33-36-19-15-28(38-33)26-10-7-18-35-32(26)43-31-14-13-27(24-8-3-4-9-25(24)31)39-34-40-29-11-5-6-12-30(29)41-34/h3-15,18-19,23H,2,16-17,20-22H2,1H3,(H,36,37,38)(H2,39,40,41) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Tie2 |
J Med Chem 53: 4502-10 (2010)
Article DOI: 10.1021/jm100301x
BindingDB Entry DOI: 10.7270/Q2T43T83 |
More data for this
Ligand-Target Pair | |
Angiopoietin-1 receptor
(Homo sapiens (Human)) | BDBM50266148
(CHEMBL465793 | N-(4-(3-(2-(methylamino)pyrimidin-4...)Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccccc3[nH]2)c2ccccc12 Show InChI InChI=1S/C27H21N7O/c1-28-26-30-16-14-21(31-26)19-9-6-15-29-25(19)35-24-13-12-20(17-7-2-3-8-18(17)24)32-27-33-22-10-4-5-11-23(22)34-27/h2-16H,1H3,(H,28,30,31)(H2,32,33,34) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Tie2 |
J Med Chem 53: 4502-10 (2010)
Article DOI: 10.1021/jm100301x
BindingDB Entry DOI: 10.7270/Q2T43T83 |
More data for this
Ligand-Target Pair | |
Angiopoietin-1 receptor
(Homo sapiens (Human)) | BDBM50266221
(CHEMBL458023 | N-(3-methyl-4-(3-(2-(methylamino)py...)Show SMILES CNc1nccc(n1)-c1cccnc1Oc1c(C)cc(Nc2nc3ccccc3[nH]2)c2ccccc12 Show InChI InChI=1S/C28H23N7O/c1-17-16-24(35-28-33-22-11-5-6-12-23(22)34-28)18-8-3-4-9-19(18)25(17)36-26-20(10-7-14-30-26)21-13-15-31-27(29-2)32-21/h3-16H,1-2H3,(H,29,31,32)(H2,33,34,35) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Tie2 |
J Med Chem 53: 4502-10 (2010)
Article DOI: 10.1021/jm100301x
BindingDB Entry DOI: 10.7270/Q2T43T83 |
More data for this
Ligand-Target Pair | |
Angiopoietin-1 receptor
(Homo sapiens (Human)) | BDBM50319572
(CHEMBL1084452 | N-(4-(3-(2-(2-(1-methylpyrrolidin-...)Show SMILES CN1CCCC1CCNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccccc3[nH]2)c2ccccc12 Show InChI InChI=1S/C33H32N8O/c1-41-21-7-8-22(41)16-19-35-32-36-20-17-27(37-32)25-11-6-18-34-31(25)42-30-15-14-26(23-9-2-3-10-24(23)30)38-33-39-28-12-4-5-13-29(28)40-33/h2-6,9-15,17-18,20,22H,7-8,16,19,21H2,1H3,(H,35,36,37)(H2,38,39,40) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Tie2 |
J Med Chem 53: 4502-10 (2010)
Article DOI: 10.1021/jm100301x
BindingDB Entry DOI: 10.7270/Q2T43T83 |
More data for this
Ligand-Target Pair | |
Angiopoietin-1 receptor
(Homo sapiens (Human)) | BDBM50266149
(1-(4-(3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-y...)Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)Nc2ccccc2)c2ccccc12 Show InChI InChI=1S/C27H22N6O2/c1-28-26-30-17-15-23(32-26)21-12-7-16-29-25(21)35-24-14-13-22(19-10-5-6-11-20(19)24)33-27(34)31-18-8-3-2-4-9-18/h2-17H,1H3,(H,28,30,32)(H2,31,33,34) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Tie2 |
J Med Chem 53: 4502-10 (2010)
Article DOI: 10.1021/jm100301x
BindingDB Entry DOI: 10.7270/Q2T43T83 |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50266148
(CHEMBL465793 | N-(4-(3-(2-(methylamino)pyrimidin-4...)Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccccc3[nH]2)c2ccccc12 Show InChI InChI=1S/C27H21N7O/c1-28-26-30-16-14-21(31-26)19-9-6-15-29-25(19)35-24-13-12-20(17-7-2-3-8-18(17)24)32-27-33-22-10-4-5-11-23(22)34-27/h2-16H,1H3,(H,28,30,31)(H2,32,33,34) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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 |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Aurora B |
J Med Chem 53: 4502-10 (2010)
Article DOI: 10.1021/jm100301x
BindingDB Entry DOI: 10.7270/Q2T43T83 |
More data for this
Ligand-Target Pair | |
Angiopoietin-1 receptor
(Homo sapiens (Human)) | BDBM50266187
(CHEMBL456463 | N-(4-(3-(2-(methylamino)pyrimidin-4...)Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccccc3o2)c2ccccc12 Show InChI InChI=1S/C27H20N6O2/c1-28-26-30-16-14-21(31-26)19-9-6-15-29-25(19)34-23-13-12-20(17-7-2-3-8-18(17)23)32-27-33-22-10-4-5-11-24(22)35-27/h2-16H,1H3,(H,32,33)(H,28,30,31) | PDB
MMDB
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 |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Tie2 |
J Med Chem 53: 4502-10 (2010)
Article DOI: 10.1021/jm100301x
BindingDB Entry DOI: 10.7270/Q2T43T83 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50266185
(CHEMBL463323 | N-(4-(3-(2-(methylamino)pyrimidin-4...)Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccc(cc3[nH]2)C(F)(F)F)c2ccccc12 Show InChI InChI=1S/C28H20F3N7O/c1-32-26-34-14-12-21(35-26)19-7-4-13-33-25(19)39-24-11-10-20(17-5-2-3-6-18(17)24)36-27-37-22-9-8-16(28(29,30)31)15-23(22)38-27/h2-15H,1H3,(H,32,34,35)(H2,36,37,38) | 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 | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
J Med Chem 53: 4502-10 (2010)
Article DOI: 10.1021/jm100301x
BindingDB Entry DOI: 10.7270/Q2T43T83 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50266148
(CHEMBL465793 | N-(4-(3-(2-(methylamino)pyrimidin-4...)Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccccc3[nH]2)c2ccccc12 Show InChI InChI=1S/C27H21N7O/c1-28-26-30-16-14-21(31-26)19-9-6-15-29-25(19)35-24-13-12-20(17-7-2-3-8-18(17)24)32-27-33-22-10-4-5-11-23(22)34-27/h2-16H,1H3,(H,28,30,31)(H2,32,33,34) | 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 | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
J Med Chem 53: 4502-10 (2010)
Article DOI: 10.1021/jm100301x
BindingDB Entry DOI: 10.7270/Q2T43T83 |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50266149
(1-(4-(3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-y...)Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)Nc2ccccc2)c2ccccc12 Show InChI InChI=1S/C27H22N6O2/c1-28-26-30-17-15-23(32-26)21-12-7-16-29-25(21)35-24-14-13-22(19-10-5-6-11-20(19)24)33-27(34)31-18-8-3-2-4-9-18/h2-17H,1H3,(H,28,30,32)(H2,31,33,34) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Aurora B |
J Med Chem 53: 4502-10 (2010)
Article DOI: 10.1021/jm100301x
BindingDB Entry DOI: 10.7270/Q2T43T83 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50266187
(CHEMBL456463 | N-(4-(3-(2-(methylamino)pyrimidin-4...)Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccccc3o2)c2ccccc12 Show InChI InChI=1S/C27H20N6O2/c1-28-26-30-16-14-21(31-26)19-9-6-15-29-25(19)34-23-13-12-20(17-7-2-3-8-18(17)23)32-27-33-22-10-4-5-11-24(22)35-27/h2-16H,1H3,(H,32,33)(H,28,30,31) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of LCK |
J Med Chem 53: 4502-10 (2010)
Article DOI: 10.1021/jm100301x
BindingDB Entry DOI: 10.7270/Q2T43T83 |
More data for this
Ligand-Target Pair | |
Angiopoietin-1 receptor
(Homo sapiens (Human)) | BDBM50266185
(CHEMBL463323 | N-(4-(3-(2-(methylamino)pyrimidin-4...)Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccc(cc3[nH]2)C(F)(F)F)c2ccccc12 Show InChI InChI=1S/C28H20F3N7O/c1-32-26-34-14-12-21(35-26)19-7-4-13-33-25(19)39-24-11-10-20(17-5-2-3-6-18(17)24)36-27-37-22-9-8-16(28(29,30)31)15-23(22)38-27/h2-15H,1H3,(H,32,34,35)(H2,36,37,38) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Tie2 |
J Med Chem 53: 4502-10 (2010)
Article DOI: 10.1021/jm100301x
BindingDB Entry DOI: 10.7270/Q2T43T83 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50266221
(CHEMBL458023 | N-(3-methyl-4-(3-(2-(methylamino)py...)Show SMILES CNc1nccc(n1)-c1cccnc1Oc1c(C)cc(Nc2nc3ccccc3[nH]2)c2ccccc12 Show InChI InChI=1S/C28H23N7O/c1-17-16-24(35-28-33-22-11-5-6-12-23(22)34-28)18-8-3-4-9-19(18)25(17)36-26-20(10-7-14-30-26)21-13-15-31-27(29-2)32-21/h3-16H,1-2H3,(H,29,31,32)(H2,33,34,35) | 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 | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
J Med Chem 53: 4502-10 (2010)
Article DOI: 10.1021/jm100301x
BindingDB Entry DOI: 10.7270/Q2T43T83 |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50266187
(CHEMBL456463 | N-(4-(3-(2-(methylamino)pyrimidin-4...)Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccccc3o2)c2ccccc12 Show InChI InChI=1S/C27H20N6O2/c1-28-26-30-16-14-21(31-26)19-9-6-15-29-25(19)34-23-13-12-20(17-7-2-3-8-18(17)23)32-27-33-22-10-4-5-11-24(22)35-27/h2-16H,1H3,(H,32,33)(H,28,30,31) | 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 | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of KDR |
J Med Chem 53: 4502-10 (2010)
Article DOI: 10.1021/jm100301x
BindingDB Entry DOI: 10.7270/Q2T43T83 |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50266149
(1-(4-(3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-y...)Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)Nc2ccccc2)c2ccccc12 Show InChI InChI=1S/C27H22N6O2/c1-28-26-30-17-15-23(32-26)21-12-7-16-29-25(21)35-24-14-13-22(19-10-5-6-11-20(19)24)33-27(34)31-18-8-3-2-4-9-18/h2-17H,1H3,(H,28,30,32)(H2,31,33,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of KDR |
J Med Chem 53: 4502-10 (2010)
Article DOI: 10.1021/jm100301x
BindingDB Entry DOI: 10.7270/Q2T43T83 |
More data for this
Ligand-Target Pair | |
Angiopoietin-1 receptor
(Homo sapiens (Human)) | BDBM50266188
(CHEMBL456683 | N-(4-(3-(2-(methylamino)pyrimidin-4...)Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccccc3s2)c2ccccc12 Show InChI InChI=1S/C27H20N6OS/c1-28-26-30-16-14-21(31-26)19-9-6-15-29-25(19)34-23-13-12-20(17-7-2-3-8-18(17)23)32-27-33-22-10-4-5-11-24(22)35-27/h2-16H,1H3,(H,32,33)(H,28,30,31) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Tie2 |
J Med Chem 53: 4502-10 (2010)
Article DOI: 10.1021/jm100301x
BindingDB Entry DOI: 10.7270/Q2T43T83 |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50319572
(CHEMBL1084452 | N-(4-(3-(2-(2-(1-methylpyrrolidin-...)Show SMILES CN1CCCC1CCNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccccc3[nH]2)c2ccccc12 Show InChI InChI=1S/C33H32N8O/c1-41-21-7-8-22(41)16-19-35-32-36-20-17-27(37-32)25-11-6-18-34-31(25)42-30-15-14-26(23-9-2-3-10-24(23)30)38-33-39-28-12-4-5-13-29(28)40-33/h2-6,9-15,17-18,20,22H,7-8,16,19,21H2,1H3,(H,35,36,37)(H2,38,39,40) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Aurora B |
J Med Chem 53: 4502-10 (2010)
Article DOI: 10.1021/jm100301x
BindingDB Entry DOI: 10.7270/Q2T43T83 |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50319570
(1-ethyl-3-(4-(3-(2-(methylamino)pyrimidin-4-yl)pyr...)Show SMILES CCNC(=O)Nc1ccc(Oc2ncccc2-c2ccnc(NC)n2)c2ccccc12 Show InChI InChI=1S/C23H22N6O2/c1-3-25-23(30)29-18-10-11-20(16-8-5-4-7-15(16)18)31-21-17(9-6-13-26-21)19-12-14-27-22(24-2)28-19/h4-14H,3H2,1-2H3,(H,24,27,28)(H2,25,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of KDR |
J Med Chem 53: 4502-10 (2010)
Article DOI: 10.1021/jm100301x
BindingDB Entry DOI: 10.7270/Q2T43T83 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50266149
(1-(4-(3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-y...)Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)Nc2ccccc2)c2ccccc12 Show InChI InChI=1S/C27H22N6O2/c1-28-26-30-17-15-23(32-26)21-12-7-16-29-25(21)35-24-14-13-22(19-10-5-6-11-20(19)24)33-27(34)31-18-8-3-2-4-9-18/h2-17H,1H3,(H,28,30,32)(H2,31,33,34) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of LCK |
J Med Chem 53: 4502-10 (2010)
Article DOI: 10.1021/jm100301x
BindingDB Entry DOI: 10.7270/Q2T43T83 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50266149
(1-(4-(3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-y...)Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)Nc2ccccc2)c2ccccc12 Show InChI InChI=1S/C27H22N6O2/c1-28-26-30-17-15-23(32-26)21-12-7-16-29-25(21)35-24-14-13-22(19-10-5-6-11-20(19)24)33-27(34)31-18-8-3-2-4-9-18/h2-17H,1H3,(H,28,30,32)(H2,31,33,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
J Med Chem 53: 4502-10 (2010)
Article DOI: 10.1021/jm100301x
BindingDB Entry DOI: 10.7270/Q2T43T83 |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50319569
(1-tert-butyl-3-(4-(3-(2-(methylamino)pyrimidin-4-y...)Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)NC(C)(C)C)c2ccccc12 Show InChI InChI=1S/C25H26N6O2/c1-25(2,3)31-24(32)30-19-11-12-21(17-9-6-5-8-16(17)19)33-22-18(10-7-14-27-22)20-13-15-28-23(26-4)29-20/h5-15H,1-4H3,(H,26,28,29)(H2,30,31,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Aurora B |
J Med Chem 53: 4502-10 (2010)
Article DOI: 10.1021/jm100301x
BindingDB Entry DOI: 10.7270/Q2T43T83 |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50266185
(CHEMBL463323 | N-(4-(3-(2-(methylamino)pyrimidin-4...)Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccc(cc3[nH]2)C(F)(F)F)c2ccccc12 Show InChI InChI=1S/C28H20F3N7O/c1-32-26-34-14-12-21(35-26)19-7-4-13-33-25(19)39-24-11-10-20(17-5-2-3-6-18(17)24)36-27-37-22-9-8-16(28(29,30)31)15-23(22)38-27/h2-15H,1H3,(H,32,34,35)(H2,36,37,38) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 56 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Aurora B |
J Med Chem 53: 4502-10 (2010)
Article DOI: 10.1021/jm100301x
BindingDB Entry DOI: 10.7270/Q2T43T83 |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50266185
(CHEMBL463323 | N-(4-(3-(2-(methylamino)pyrimidin-4...)Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccc(cc3[nH]2)C(F)(F)F)c2ccccc12 Show InChI InChI=1S/C28H20F3N7O/c1-32-26-34-14-12-21(35-26)19-7-4-13-33-25(19)39-24-11-10-20(17-5-2-3-6-18(17)24)36-27-37-22-9-8-16(28(29,30)31)15-23(22)38-27/h2-15H,1H3,(H,32,34,35)(H2,36,37,38) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of KDR |
J Med Chem 53: 4502-10 (2010)
Article DOI: 10.1021/jm100301x
BindingDB Entry DOI: 10.7270/Q2T43T83 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50266221
(CHEMBL458023 | N-(3-methyl-4-(3-(2-(methylamino)py...)Show SMILES CNc1nccc(n1)-c1cccnc1Oc1c(C)cc(Nc2nc3ccccc3[nH]2)c2ccccc12 Show InChI InChI=1S/C28H23N7O/c1-17-16-24(35-28-33-22-11-5-6-12-23(22)34-28)18-8-3-4-9-19(18)25(17)36-26-20(10-7-14-30-26)21-13-15-31-27(29-2)32-21/h3-16H,1-2H3,(H,29,31,32)(H2,33,34,35) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 77 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Aurora B |
J Med Chem 53: 4502-10 (2010)
Article DOI: 10.1021/jm100301x
BindingDB Entry DOI: 10.7270/Q2T43T83 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50266188
(CHEMBL456683 | N-(4-(3-(2-(methylamino)pyrimidin-4...)Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccccc3s2)c2ccccc12 Show InChI InChI=1S/C27H20N6OS/c1-28-26-30-16-14-21(31-26)19-9-6-15-29-25(19)34-23-13-12-20(17-7-2-3-8-18(17)23)32-27-33-22-10-4-5-11-24(22)35-27/h2-16H,1H3,(H,32,33)(H,28,30,31) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of LCK |
J Med Chem 53: 4502-10 (2010)
Article DOI: 10.1021/jm100301x
BindingDB Entry DOI: 10.7270/Q2T43T83 |
More data for this
Ligand-Target Pair | |
Angiopoietin-1 receptor
(Homo sapiens (Human)) | BDBM50319573
(CHEMBL1084453 | N1-(4-(2-(4-(1H-benzo[d]imidazol-2...)Show SMILES CN(C)CC(C)(C)CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccccc3[nH]2)c2ccccc12 Show InChI InChI=1S/C33H34N8O/c1-33(2,21-41(3)4)20-36-31-35-19-17-26(37-31)24-12-9-18-34-30(24)42-29-16-15-25(22-10-5-6-11-23(22)29)38-32-39-27-13-7-8-14-28(27)40-32/h5-19H,20-21H2,1-4H3,(H,35,36,37)(H2,38,39,40) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 82 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Tie2 |
J Med Chem 53: 4502-10 (2010)
Article DOI: 10.1021/jm100301x
BindingDB Entry DOI: 10.7270/Q2T43T83 |
More data for this
Ligand-Target Pair | |
Angiopoietin-1 receptor
(Homo sapiens (Human)) | BDBM50319574
(CHEMBL1086334 | N-(4-(3-(2-(methylamino)pyrimidin-...)Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccncc3[nH]2)c2ccccc12 Show InChI InChI=1S/C26H20N8O/c1-27-25-30-14-11-20(31-25)18-7-4-12-29-24(18)35-23-9-8-19(16-5-2-3-6-17(16)23)32-26-33-21-10-13-28-15-22(21)34-26/h2-15H,1H3,(H,27,30,31)(H2,32,33,34) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 86 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Tie2 |
J Med Chem 53: 4502-10 (2010)
Article DOI: 10.1021/jm100301x
BindingDB Entry DOI: 10.7270/Q2T43T83 |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50266188
(CHEMBL456683 | N-(4-(3-(2-(methylamino)pyrimidin-4...)Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccccc3s2)c2ccccc12 Show InChI InChI=1S/C27H20N6OS/c1-28-26-30-16-14-21(31-26)19-9-6-15-29-25(19)34-23-13-12-20(17-7-2-3-8-18(17)23)32-27-33-22-10-4-5-11-24(22)35-27/h2-16H,1H3,(H,32,33)(H,28,30,31) | 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 | 88 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of KDR |
J Med Chem 53: 4502-10 (2010)
Article DOI: 10.1021/jm100301x
BindingDB Entry DOI: 10.7270/Q2T43T83 |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50319571
(CHEMBL1084451 | N-(4-(3-(2-((1-ethylpiperidin-4-yl...)Show SMILES CCN1CCC(CNc2nccc(n2)-c2cccnc2Oc2ccc(Nc3nc4ccccc4[nH]3)c3ccccc23)CC1 Show InChI InChI=1S/C34H34N8O/c1-2-42-20-16-23(17-21-42)22-37-33-36-19-15-28(38-33)26-10-7-18-35-32(26)43-31-14-13-27(24-8-3-4-9-25(24)31)39-34-40-29-11-5-6-12-30(29)41-34/h3-15,18-19,23H,2,16-17,20-22H2,1H3,(H,36,37,38)(H2,39,40,41) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Aurora B |
J Med Chem 53: 4502-10 (2010)
Article DOI: 10.1021/jm100301x
BindingDB Entry DOI: 10.7270/Q2T43T83 |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50319570
(1-ethyl-3-(4-(3-(2-(methylamino)pyrimidin-4-yl)pyr...)Show SMILES CCNC(=O)Nc1ccc(Oc2ncccc2-c2ccnc(NC)n2)c2ccccc12 Show InChI InChI=1S/C23H22N6O2/c1-3-25-23(30)29-18-10-11-20(16-8-5-4-7-15(16)18)31-21-17(9-6-13-26-21)19-12-14-27-22(24-2)28-19/h4-14H,3H2,1-2H3,(H,24,27,28)(H2,25,29,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Aurora B |
J Med Chem 53: 4502-10 (2010)
Article DOI: 10.1021/jm100301x
BindingDB Entry DOI: 10.7270/Q2T43T83 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50266185
(CHEMBL463323 | N-(4-(3-(2-(methylamino)pyrimidin-4...)Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccc(cc3[nH]2)C(F)(F)F)c2ccccc12 Show InChI InChI=1S/C28H20F3N7O/c1-32-26-34-14-12-21(35-26)19-7-4-13-33-25(19)39-24-11-10-20(17-5-2-3-6-18(17)24)36-27-37-22-9-8-16(28(29,30)31)15-23(22)38-27/h2-15H,1H3,(H,32,34,35)(H2,36,37,38) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 132 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of LCK |
J Med Chem 53: 4502-10 (2010)
Article DOI: 10.1021/jm100301x
BindingDB Entry DOI: 10.7270/Q2T43T83 |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50266187
(CHEMBL456463 | N-(4-(3-(2-(methylamino)pyrimidin-4...)Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccccc3o2)c2ccccc12 Show InChI InChI=1S/C27H20N6O2/c1-28-26-30-16-14-21(31-26)19-9-6-15-29-25(19)34-23-13-12-20(17-7-2-3-8-18(17)23)32-27-33-22-10-4-5-11-24(22)35-27/h2-16H,1H3,(H,32,33)(H,28,30,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 134 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Aurora B |
J Med Chem 53: 4502-10 (2010)
Article DOI: 10.1021/jm100301x
BindingDB Entry DOI: 10.7270/Q2T43T83 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50266187
(CHEMBL456463 | N-(4-(3-(2-(methylamino)pyrimidin-4...)Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccccc3o2)c2ccccc12 Show InChI InChI=1S/C27H20N6O2/c1-28-26-30-16-14-21(31-26)19-9-6-15-29-25(19)34-23-13-12-20(17-7-2-3-8-18(17)23)32-27-33-22-10-4-5-11-24(22)35-27/h2-16H,1H3,(H,32,33)(H,28,30,31) | 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 | 141 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
J Med Chem 53: 4502-10 (2010)
Article DOI: 10.1021/jm100301x
BindingDB Entry DOI: 10.7270/Q2T43T83 |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50266188
(CHEMBL456683 | N-(4-(3-(2-(methylamino)pyrimidin-4...)Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccccc3s2)c2ccccc12 Show InChI InChI=1S/C27H20N6OS/c1-28-26-30-16-14-21(31-26)19-9-6-15-29-25(19)34-23-13-12-20(17-7-2-3-8-18(17)23)32-27-33-22-10-4-5-11-24(22)35-27/h2-16H,1H3,(H,32,33)(H,28,30,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 143 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Aurora B |
J Med Chem 53: 4502-10 (2010)
Article DOI: 10.1021/jm100301x
BindingDB Entry DOI: 10.7270/Q2T43T83 |
More data for this
Ligand-Target Pair | |
Angiopoietin-1 receptor
(Homo sapiens (Human)) | BDBM50319569
(1-tert-butyl-3-(4-(3-(2-(methylamino)pyrimidin-4-y...)Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)NC(C)(C)C)c2ccccc12 Show InChI InChI=1S/C25H26N6O2/c1-25(2,3)31-24(32)30-19-11-12-21(17-9-6-5-8-16(17)19)33-22-18(10-7-14-27-22)20-13-15-28-23(26-4)29-20/h5-15H,1-4H3,(H,26,28,29)(H2,30,31,32) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 215 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Tie2 |
J Med Chem 53: 4502-10 (2010)
Article DOI: 10.1021/jm100301x
BindingDB Entry DOI: 10.7270/Q2T43T83 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50319569
(1-tert-butyl-3-(4-(3-(2-(methylamino)pyrimidin-4-y...)Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)NC(C)(C)C)c2ccccc12 Show InChI InChI=1S/C25H26N6O2/c1-25(2,3)31-24(32)30-19-11-12-21(17-9-6-5-8-16(17)19)33-22-18(10-7-14-27-22)20-13-15-28-23(26-4)29-20/h5-15H,1-4H3,(H,26,28,29)(H2,30,31,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 225 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
J Med Chem 53: 4502-10 (2010)
Article DOI: 10.1021/jm100301x
BindingDB Entry DOI: 10.7270/Q2T43T83 |
More data for this
Ligand-Target Pair | |
Angiopoietin-1 receptor
(Homo sapiens (Human)) | BDBM50319570
(1-ethyl-3-(4-(3-(2-(methylamino)pyrimidin-4-yl)pyr...)Show SMILES CCNC(=O)Nc1ccc(Oc2ncccc2-c2ccnc(NC)n2)c2ccccc12 Show InChI InChI=1S/C23H22N6O2/c1-3-25-23(30)29-18-10-11-20(16-8-5-4-7-15(16)18)31-21-17(9-6-13-26-21)19-12-14-27-22(24-2)28-19/h4-14H,3H2,1-2H3,(H,24,27,28)(H2,25,29,30) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 248 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Tie2 |
J Med Chem 53: 4502-10 (2010)
Article DOI: 10.1021/jm100301x
BindingDB Entry DOI: 10.7270/Q2T43T83 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50319572
(CHEMBL1084452 | N-(4-(3-(2-(2-(1-methylpyrrolidin-...)Show SMILES CN1CCCC1CCNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccccc3[nH]2)c2ccccc12 Show InChI InChI=1S/C33H32N8O/c1-41-21-7-8-22(41)16-19-35-32-36-20-17-27(37-32)25-11-6-18-34-31(25)42-30-15-14-26(23-9-2-3-10-24(23)30)38-33-39-28-12-4-5-13-29(28)40-33/h2-6,9-15,17-18,20,22H,7-8,16,19,21H2,1H3,(H,35,36,37)(H2,38,39,40) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 269 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of LCK |
J Med Chem 53: 4502-10 (2010)
Article DOI: 10.1021/jm100301x
BindingDB Entry DOI: 10.7270/Q2T43T83 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50266148
(CHEMBL465793 | N-(4-(3-(2-(methylamino)pyrimidin-4...)Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccccc3[nH]2)c2ccccc12 Show InChI InChI=1S/C27H21N7O/c1-28-26-30-16-14-21(31-26)19-9-6-15-29-25(19)35-24-13-12-20(17-7-2-3-8-18(17)24)32-27-33-22-10-4-5-11-23(22)34-27/h2-16H,1H3,(H,28,30,31)(H2,32,33,34) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 292 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of LCK |
J Med Chem 53: 4502-10 (2010)
Article DOI: 10.1021/jm100301x
BindingDB Entry DOI: 10.7270/Q2T43T83 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50319572
(CHEMBL1084452 | N-(4-(3-(2-(2-(1-methylpyrrolidin-...)Show SMILES CN1CCCC1CCNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccccc3[nH]2)c2ccccc12 Show InChI InChI=1S/C33H32N8O/c1-41-21-7-8-22(41)16-19-35-32-36-20-17-27(37-32)25-11-6-18-34-31(25)42-30-15-14-26(23-9-2-3-10-24(23)30)38-33-39-28-12-4-5-13-29(28)40-33/h2-6,9-15,17-18,20,22H,7-8,16,19,21H2,1H3,(H,35,36,37)(H2,38,39,40) | 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 | 327 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
J Med Chem 53: 4502-10 (2010)
Article DOI: 10.1021/jm100301x
BindingDB Entry DOI: 10.7270/Q2T43T83 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50319571
(CHEMBL1084451 | N-(4-(3-(2-((1-ethylpiperidin-4-yl...)Show SMILES CCN1CCC(CNc2nccc(n2)-c2cccnc2Oc2ccc(Nc3nc4ccccc4[nH]3)c3ccccc23)CC1 Show InChI InChI=1S/C34H34N8O/c1-2-42-20-16-23(17-21-42)22-37-33-36-19-15-28(38-33)26-10-7-18-35-32(26)43-31-14-13-27(24-8-3-4-9-25(24)31)39-34-40-29-11-5-6-12-30(29)41-34/h3-15,18-19,23H,2,16-17,20-22H2,1H3,(H,36,37,38)(H2,39,40,41) | 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 | 332 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
J Med Chem 53: 4502-10 (2010)
Article DOI: 10.1021/jm100301x
BindingDB Entry DOI: 10.7270/Q2T43T83 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50266188
(CHEMBL456683 | N-(4-(3-(2-(methylamino)pyrimidin-4...)Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccccc3s2)c2ccccc12 Show InChI InChI=1S/C27H20N6OS/c1-28-26-30-16-14-21(31-26)19-9-6-15-29-25(19)34-23-13-12-20(17-7-2-3-8-18(17)23)32-27-33-22-10-4-5-11-24(22)35-27/h2-16H,1H3,(H,32,33)(H,28,30,31) | 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 | 380 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
J Med Chem 53: 4502-10 (2010)
Article DOI: 10.1021/jm100301x
BindingDB Entry DOI: 10.7270/Q2T43T83 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50319571
(CHEMBL1084451 | N-(4-(3-(2-((1-ethylpiperidin-4-yl...)Show SMILES CCN1CCC(CNc2nccc(n2)-c2cccnc2Oc2ccc(Nc3nc4ccccc4[nH]3)c3ccccc23)CC1 Show InChI InChI=1S/C34H34N8O/c1-2-42-20-16-23(17-21-42)22-37-33-36-19-15-28(38-33)26-10-7-18-35-32(26)43-31-14-13-27(24-8-3-4-9-25(24)31)39-34-40-29-11-5-6-12-30(29)41-34/h3-15,18-19,23H,2,16-17,20-22H2,1H3,(H,36,37,38)(H2,39,40,41) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 387 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of LCK |
J Med Chem 53: 4502-10 (2010)
Article DOI: 10.1021/jm100301x
BindingDB Entry DOI: 10.7270/Q2T43T83 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50266221
(CHEMBL458023 | N-(3-methyl-4-(3-(2-(methylamino)py...)Show SMILES CNc1nccc(n1)-c1cccnc1Oc1c(C)cc(Nc2nc3ccccc3[nH]2)c2ccccc12 Show InChI InChI=1S/C28H23N7O/c1-17-16-24(35-28-33-22-11-5-6-12-23(22)34-28)18-8-3-4-9-19(18)25(17)36-26-20(10-7-14-30-26)21-13-15-31-27(29-2)32-21/h3-16H,1-2H3,(H,29,31,32)(H2,33,34,35) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 405 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of LCK |
J Med Chem 53: 4502-10 (2010)
Article DOI: 10.1021/jm100301x
BindingDB Entry DOI: 10.7270/Q2T43T83 |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50319574
(CHEMBL1086334 | N-(4-(3-(2-(methylamino)pyrimidin-...)Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccncc3[nH]2)c2ccccc12 Show InChI InChI=1S/C26H20N8O/c1-27-25-30-14-11-20(31-25)18-7-4-12-29-24(18)35-23-9-8-19(16-5-2-3-6-17(16)23)32-26-33-21-10-13-28-15-22(21)34-26/h2-15H,1H3,(H,27,30,31)(H2,32,33,34) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 454 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Aurora B |
J Med Chem 53: 4502-10 (2010)
Article DOI: 10.1021/jm100301x
BindingDB Entry DOI: 10.7270/Q2T43T83 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50319570
(1-ethyl-3-(4-(3-(2-(methylamino)pyrimidin-4-yl)pyr...)Show SMILES CCNC(=O)Nc1ccc(Oc2ncccc2-c2ccnc(NC)n2)c2ccccc12 Show InChI InChI=1S/C23H22N6O2/c1-3-25-23(30)29-18-10-11-20(16-8-5-4-7-15(16)18)31-21-17(9-6-13-26-21)19-12-14-27-22(24-2)28-19/h4-14H,3H2,1-2H3,(H,24,27,28)(H2,25,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 534 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
J Med Chem 53: 4502-10 (2010)
Article DOI: 10.1021/jm100301x
BindingDB Entry DOI: 10.7270/Q2T43T83 |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50319573
(CHEMBL1084453 | N1-(4-(2-(4-(1H-benzo[d]imidazol-2...)Show SMILES CN(C)CC(C)(C)CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccccc3[nH]2)c2ccccc12 Show InChI InChI=1S/C33H34N8O/c1-33(2,21-41(3)4)20-36-31-35-19-17-26(37-31)24-12-9-18-34-30(24)42-29-16-15-25(22-10-5-6-11-23(22)29)38-32-39-27-13-7-8-14-28(27)40-32/h5-19H,20-21H2,1-4H3,(H,35,36,37)(H2,38,39,40) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 759 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Aurora B |
J Med Chem 53: 4502-10 (2010)
Article DOI: 10.1021/jm100301x
BindingDB Entry DOI: 10.7270/Q2T43T83 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50319574
(CHEMBL1086334 | N-(4-(3-(2-(methylamino)pyrimidin-...)Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccncc3[nH]2)c2ccccc12 Show InChI InChI=1S/C26H20N8O/c1-27-25-30-14-11-20(31-25)18-7-4-12-29-24(18)35-23-9-8-19(16-5-2-3-6-17(16)23)32-26-33-21-10-13-28-15-22(21)34-26/h2-15H,1H3,(H,27,30,31)(H2,32,33,34) | 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 | 1.07E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
J Med Chem 53: 4502-10 (2010)
Article DOI: 10.1021/jm100301x
BindingDB Entry DOI: 10.7270/Q2T43T83 |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50266148
(CHEMBL465793 | N-(4-(3-(2-(methylamino)pyrimidin-4...)Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccccc3[nH]2)c2ccccc12 Show InChI InChI=1S/C27H21N7O/c1-28-26-30-16-14-21(31-26)19-9-6-15-29-25(19)35-24-13-12-20(17-7-2-3-8-18(17)24)32-27-33-22-10-4-5-11-23(22)34-27/h2-16H,1H3,(H,28,30,31)(H2,32,33,34) | 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 | 1.38E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of KDR |
J Med Chem 53: 4502-10 (2010)
Article DOI: 10.1021/jm100301x
BindingDB Entry DOI: 10.7270/Q2T43T83 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50319573
(CHEMBL1084453 | N1-(4-(2-(4-(1H-benzo[d]imidazol-2...)Show SMILES CN(C)CC(C)(C)CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccccc3[nH]2)c2ccccc12 Show InChI InChI=1S/C33H34N8O/c1-33(2,21-41(3)4)20-36-31-35-19-17-26(37-31)24-12-9-18-34-30(24)42-29-16-15-25(22-10-5-6-11-23(22)29)38-32-39-27-13-7-8-14-28(27)40-32/h5-19H,20-21H2,1-4H3,(H,35,36,37)(H2,38,39,40) | 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 | 1.66E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
J Med Chem 53: 4502-10 (2010)
Article DOI: 10.1021/jm100301x
BindingDB Entry DOI: 10.7270/Q2T43T83 |
More data for this
Ligand-Target Pair | |
Search and Browse
