Found 76 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 |
|---|
Aurora kinase A
(Homo sapiens (Human)) | BDBM50277545
(4-(9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-benzo[...)Show SMILES COc1cc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2OC)ccc1C(O)=O |c:11| Show InChI InChI=1S/C27H20ClFN4O4/c1-36-21-5-3-4-20(29)23(21)25-19-10-15(28)6-8-17(19)24-14(12-30-25)13-31-27(33-24)32-16-7-9-18(26(34)35)22(11-16)37-2/h3-11,13H,12H2,1-2H3,(H,34,35)(H,31,32,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Berne
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su... |
J Med Chem 59: 7188-211 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5 |
More data for this
Ligand-Target Pair | 
3D Structure (docked) |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50175305
(CHEMBL3600873)Show SMILES OC(=O)[C@@]1(Cc2cccc(Nc3nccs3)n2)CC[C@@H](CC1)Oc1cccc(Cl)c1F |r,wU:3.2,wD:19.24,(2.4,1.65,;1.33,2.27,;1.34,3.5,;,1.54,;-1.33,2.27,;-2.67,1.5,;-2.64,-.04,;-3.96,-.84,;-5.31,-.09,;-5.34,1.45,;-6.69,2.19,;-8,1.39,;-8.11,-.13,;-9.61,-.48,;-10.41,.83,;-9.4,2,;-4.02,2.24,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;0,-3.08,;1.34,-3.85,;2.67,-3.07,;4.01,-3.84,;4.01,-5.38,;2.68,-6.15,;2.68,-7.39,;1.34,-5.39,;.28,-6.01,)| Show InChI InChI=1S/C22H21ClFN3O3S/c23-16-4-2-5-17(19(16)24)30-15-7-9-22(10-8-15,20(28)29)13-14-3-1-6-18(26-14)27-21-25-11-12-31-21/h1-6,11-12,15H,7-10,13H2,(H,28,29)(H,25,26,27)/t15-,22- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 0.0640 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Berne
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su... |
J Med Chem 59: 7188-211 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Aurora kinase B/Inner centromere protein
(Homo sapiens (Human)) | BDBM50277545
(4-(9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-benzo[...)Show SMILES COc1cc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2OC)ccc1C(O)=O |c:11| Show InChI InChI=1S/C27H20ClFN4O4/c1-36-21-5-3-4-20(29)23(21)25-19-10-15(28)6-8-17(19)24-14(12-30-25)13-31-27(33-24)32-16-7-9-18(26(34)35)22(11-16)37-2/h3-11,13H,12H2,1-2H3,(H,34,35)(H,31,32,33) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
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Patents
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| Article
PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Berne
Curated by ChEMBL
| Assay Description
Inhibition of Aurora-B/INCENP (unknown origin) using biotinylated STK2 substrate incubated for 30 mins by HTRF assay |
J Med Chem 59: 7188-211 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5 |
More data for this
Ligand-Target Pair | |
Aurora kinase B/Inner centromere protein
(Homo sapiens (Human)) | BDBM50175305
(CHEMBL3600873)Show SMILES OC(=O)[C@@]1(Cc2cccc(Nc3nccs3)n2)CC[C@@H](CC1)Oc1cccc(Cl)c1F |r,wU:3.2,wD:19.24,(2.4,1.65,;1.33,2.27,;1.34,3.5,;,1.54,;-1.33,2.27,;-2.67,1.5,;-2.64,-.04,;-3.96,-.84,;-5.31,-.09,;-5.34,1.45,;-6.69,2.19,;-8,1.39,;-8.11,-.13,;-9.61,-.48,;-10.41,.83,;-9.4,2,;-4.02,2.24,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;0,-3.08,;1.34,-3.85,;2.67,-3.07,;4.01,-3.84,;4.01,-5.38,;2.68,-6.15,;2.68,-7.39,;1.34,-5.39,;.28,-6.01,)| Show InChI InChI=1S/C22H21ClFN3O3S/c23-16-4-2-5-17(19(16)24)30-15-7-9-22(10-8-15,20(28)29)13-14-3-1-6-18(26-14)27-21-25-11-12-31-21/h1-6,11-12,15H,7-10,13H2,(H,28,29)(H,25,26,27)/t15-,22- | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Berne
Curated by ChEMBL
| Assay Description
Inhibition of Aurora-B/INCENP (unknown origin) using biotinylated STK2 substrate incubated for 30 mins by HTRF assay |
J Med Chem 59: 7188-211 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5 |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50277545
(4-(9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-benzo[...)Show SMILES COc1cc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2OC)ccc1C(O)=O |c:11| Show InChI InChI=1S/C27H20ClFN4O4/c1-36-21-5-3-4-20(29)23(21)25-19-10-15(28)6-8-17(19)24-14(12-30-25)13-31-27(33-24)32-16-7-9-18(26(34)35)22(11-16)37-2/h3-11,13H,12H2,1-2H3,(H,34,35)(H,31,32,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Berne
Curated by ChEMBL
| Assay Description
Inhibition of Aurora B kinase in human HeLa Kyoto cells assessed as effect on distribution of phspho-histone H3 ser10 level incubated for 20 hrs |
J Med Chem 59: 7188-211 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50198027
(CHEMBL3921246)Show SMILES CCc1ccc(cc1)\N=C1/S\C(=C/c2ccnc(Nc3ccc(cn3)C(O)=O)c2)C(=O)N1C Show InChI InChI=1S/C24H21N5O3S/c1-3-15-4-7-18(8-5-15)27-24-29(2)22(30)19(33-24)12-16-10-11-25-21(13-16)28-20-9-6-17(14-26-20)23(31)32/h4-14H,3H2,1-2H3,(H,31,32)(H,25,26,28)/b19-12-,27-24- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Berne
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su... |
J Med Chem 59: 7188-211 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50198027
(CHEMBL3921246)Show SMILES CCc1ccc(cc1)\N=C1/S\C(=C/c2ccnc(Nc3ccc(cn3)C(O)=O)c2)C(=O)N1C Show InChI InChI=1S/C24H21N5O3S/c1-3-15-4-7-18(8-5-15)27-24-29(2)22(30)19(33-24)12-16-10-11-25-21(13-16)28-20-9-6-17(14-26-20)23(31)32/h4-14H,3H2,1-2H3,(H,31,32)(H,25,26,28)/b19-12-,27-24- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Berne
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su... |
J Med Chem 59: 7188-211 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50198081
(CHEMBL3915550)Show SMILES CCc1ccc(cc1)\N=C1/S\C(=C/c2ccnc(NC(=O)CCC(O)=O)c2)C(=O)N1C Show InChI InChI=1S/C22H22N4O4S/c1-3-14-4-6-16(7-5-14)24-22-26(2)21(30)17(31-22)12-15-10-11-23-18(13-15)25-19(27)8-9-20(28)29/h4-7,10-13H,3,8-9H2,1-2H3,(H,28,29)(H,23,25,27)/b17-12-,24-22- | 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 | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Berne
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su... |
J Med Chem 59: 7188-211 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50198080
(CHEMBL3932394)Show SMILES CCc1ccc(cc1)\N=C1/S\C(=C/c2ccnc(NC(=O)CC(O)=O)c2)C(=O)N1C Show InChI InChI=1S/C21H20N4O4S/c1-3-13-4-6-15(7-5-13)23-21-25(2)20(29)16(30-21)10-14-8-9-22-17(11-14)24-18(26)12-19(27)28/h4-11H,3,12H2,1-2H3,(H,27,28)(H,22,24,26)/b16-10-,23-21- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Berne
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su... |
J Med Chem 59: 7188-211 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50198082
(CHEMBL3904239)Show SMILES CCc1ccc(cc1)\N=C1/S\C(=C/c2ccnc(Nc3ccc(cc3)C(O)=O)c2)C(=O)N1C Show InChI InChI=1S/C25H22N4O3S/c1-3-16-4-8-20(9-5-16)28-25-29(2)23(30)21(33-25)14-17-12-13-26-22(15-17)27-19-10-6-18(7-11-19)24(31)32/h4-15H,3H2,1-2H3,(H,26,27)(H,31,32)/b21-14-,28-25- | 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 | 6.20 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Berne
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su... |
J Med Chem 59: 7188-211 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50198086
(CHEMBL3985313)Show SMILES CCc1ccc(cc1)\N=C1/S\C(=C/c2ccnc(NC(=O)CCCC(O)=O)c2)C(=O)N1C Show InChI InChI=1S/C23H24N4O4S/c1-3-15-7-9-17(10-8-15)25-23-27(2)22(31)18(32-23)13-16-11-12-24-19(14-16)26-20(28)5-4-6-21(29)30/h7-14H,3-6H2,1-2H3,(H,29,30)(H,24,26,28)/b18-13-,25-23- | 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 | 6.20 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Berne
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su... |
J Med Chem 59: 7188-211 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50277545
(4-(9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-benzo[...)Show SMILES COc1cc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2OC)ccc1C(O)=O |c:11| Show InChI InChI=1S/C27H20ClFN4O4/c1-36-21-5-3-4-20(29)23(21)25-19-10-15(28)6-8-17(19)24-14(12-30-25)13-31-27(33-24)32-16-7-9-18(26(34)35)22(11-16)37-2/h3-11,13H,12H2,1-2H3,(H,34,35)(H,31,32,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6.70 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Berne
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A kinase autophosphorylation at Thr288 in human HeLa Kyoto cells incubated for 20 hrs |
J Med Chem 59: 7188-211 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5 |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50175305
(CHEMBL3600873)Show SMILES OC(=O)[C@@]1(Cc2cccc(Nc3nccs3)n2)CC[C@@H](CC1)Oc1cccc(Cl)c1F |r,wU:3.2,wD:19.24,(2.4,1.65,;1.33,2.27,;1.34,3.5,;,1.54,;-1.33,2.27,;-2.67,1.5,;-2.64,-.04,;-3.96,-.84,;-5.31,-.09,;-5.34,1.45,;-6.69,2.19,;-8,1.39,;-8.11,-.13,;-9.61,-.48,;-10.41,.83,;-9.4,2,;-4.02,2.24,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;0,-3.08,;1.34,-3.85,;2.67,-3.07,;4.01,-3.84,;4.01,-5.38,;2.68,-6.15,;2.68,-7.39,;1.34,-5.39,;.28,-6.01,)| Show InChI InChI=1S/C22H21ClFN3O3S/c23-16-4-2-5-17(19(16)24)30-15-7-9-22(10-8-15,20(28)29)13-14-3-1-6-18(26-14)27-21-25-11-12-31-21/h1-6,11-12,15H,7-10,13H2,(H,28,29)(H,25,26,27)/t15-,22- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | >10 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Berne
Curated by ChEMBL
| Assay Description
Inhibition of Aurora B kinase in human HeLa Kyoto cells assessed as effect on distribution of phspho-histone H3 ser10 level incubated for 20 hrs |
J Med Chem 59: 7188-211 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50198052
(CHEMBL3896597)Show SMILES CCc1ccc(cc1)\N=C1/SC(Cc2ccnc(Nc3ccc(cn3)C(O)=O)c2)C(=O)N1C Show InChI InChI=1S/C24H23N5O3S/c1-3-15-4-7-18(8-5-15)27-24-29(2)22(30)19(33-24)12-16-10-11-25-21(13-16)28-20-9-6-17(14-26-20)23(31)32/h4-11,13-14,19H,3,12H2,1-2H3,(H,31,32)(H,25,26,28)/b27-24- | 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 | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Berne
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su... |
J Med Chem 59: 7188-211 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50198052
(CHEMBL3896597)Show SMILES CCc1ccc(cc1)\N=C1/SC(Cc2ccnc(Nc3ccc(cn3)C(O)=O)c2)C(=O)N1C Show InChI InChI=1S/C24H23N5O3S/c1-3-15-4-7-18(8-5-15)27-24-29(2)22(30)19(33-24)12-16-10-11-25-21(13-16)28-20-9-6-17(14-26-20)23(31)32/h4-11,13-14,19H,3,12H2,1-2H3,(H,31,32)(H,25,26,28)/b27-24- | 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 | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Berne
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A kinase autophosphorylation at Thr288 in human HeLa Kyoto cells incubated for 20 hrs |
J Med Chem 59: 7188-211 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50198044
(CHEMBL3903187)Show SMILES CCc1ccc(cc1)\N=C1/S\C(=C/c2ccnc(Nc3ccc(cc3)-c3nnn[nH]3)c2)C(=O)N1C Show InChI InChI=1S/C25H22N8OS/c1-3-16-4-8-20(9-5-16)28-25-33(2)24(34)21(35-25)14-17-12-13-26-22(15-17)27-19-10-6-18(7-11-19)23-29-31-32-30-23/h4-15H,3H2,1-2H3,(H,26,27)(H,29,30,31,32)/b21-14-,28-25- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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 |
University of Berne
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su... |
J Med Chem 59: 7188-211 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50198045
(CHEMBL3975102)Show SMILES CCc1ccc(cc1)\N=C1/S\C(=C/c2ccnc(Nc3ccc(CO)cc3)c2)C(=O)N1C Show InChI InChI=1S/C25H24N4O2S/c1-3-17-4-8-21(9-5-17)28-25-29(2)24(31)22(32-25)14-19-12-13-26-23(15-19)27-20-10-6-18(16-30)7-11-20/h4-15,30H,3,16H2,1-2H3,(H,26,27)/b22-14-,28-25- | 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 | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Berne
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su... |
J Med Chem 59: 7188-211 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5 |
More data for this
Ligand-Target Pair | |
Aurora kinase B/Inner centromere protein
(Homo sapiens (Human)) | BDBM50198027
(CHEMBL3921246)Show SMILES CCc1ccc(cc1)\N=C1/S\C(=C/c2ccnc(Nc3ccc(cn3)C(O)=O)c2)C(=O)N1C Show InChI InChI=1S/C24H21N5O3S/c1-3-15-4-7-18(8-5-15)27-24-29(2)22(30)19(33-24)12-16-10-11-25-21(13-16)28-20-9-6-17(14-26-20)23(31)32/h4-14H,3H2,1-2H3,(H,31,32)(H,25,26,28)/b19-12-,27-24- | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Berne
Curated by ChEMBL
| Assay Description
Inhibition of Aurora-B/INCENP (unknown origin) using biotinylated STK2 substrate incubated for 30 mins by HTRF assay |
J Med Chem 59: 7188-211 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50198079
(CHEMBL3924918)Show SMILES CCc1ccc(cc1)\N=C1/S\C(=C/c2ccnc(NC(=O)CCN)c2)C(=O)N1C Show InChI InChI=1S/C21H23N5O2S/c1-3-14-4-6-16(7-5-14)24-21-26(2)20(28)17(29-21)12-15-9-11-23-18(13-15)25-19(27)8-10-22/h4-7,9,11-13H,3,8,10,22H2,1-2H3,(H,23,25,27)/b17-12-,24-21- | 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 | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Berne
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su... |
J Med Chem 59: 7188-211 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50198078
(CHEMBL3941377)Show SMILES CCc1ccc(cc1)\N=C1/S\C(=C/c2ccnc(N)c2)C(=O)N1C Show InChI InChI=1S/C18H18N4OS/c1-3-12-4-6-14(7-5-12)21-18-22(2)17(23)15(24-18)10-13-8-9-20-16(19)11-13/h4-11H,3H2,1-2H3,(H2,19,20)/b15-10-,21-18- | 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 |
University of Berne
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su... |
J Med Chem 59: 7188-211 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50198084
(CHEMBL3913242)Show SMILES CCc1ccc(cc1)\N=C1/S\C(=C/c2ccnc(Nc3ccccn3)c2)C(=O)N1C Show InChI InChI=1S/C23H21N5OS/c1-3-16-7-9-18(10-8-16)26-23-28(2)22(29)19(30-23)14-17-11-13-25-21(15-17)27-20-6-4-5-12-24-20/h4-15H,3H2,1-2H3,(H,24,25,27)/b19-14-,26-23- | 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 | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Berne
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su... |
J Med Chem 59: 7188-211 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50198077
(CHEMBL3951166)Show InChI InChI=1S/C16H12BrN3OS/c1-20-15(21)14(10-11-6-8-18-9-7-11)22-16(20)19-13-4-2-12(17)3-5-13/h2-10H,1H3/b14-10-,19-16- | 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 | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Berne
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su... |
J Med Chem 59: 7188-211 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50175305
(CHEMBL3600873)Show SMILES OC(=O)[C@@]1(Cc2cccc(Nc3nccs3)n2)CC[C@@H](CC1)Oc1cccc(Cl)c1F |r,wU:3.2,wD:19.24,(2.4,1.65,;1.33,2.27,;1.34,3.5,;,1.54,;-1.33,2.27,;-2.67,1.5,;-2.64,-.04,;-3.96,-.84,;-5.31,-.09,;-5.34,1.45,;-6.69,2.19,;-8,1.39,;-8.11,-.13,;-9.61,-.48,;-10.41,.83,;-9.4,2,;-4.02,2.24,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;0,-3.08,;1.34,-3.85,;2.67,-3.07,;4.01,-3.84,;4.01,-5.38,;2.68,-6.15,;2.68,-7.39,;1.34,-5.39,;.28,-6.01,)| Show InChI InChI=1S/C22H21ClFN3O3S/c23-16-4-2-5-17(19(16)24)30-15-7-9-22(10-8-15,20(28)29)13-14-3-1-6-18(26-14)27-21-25-11-12-31-21/h1-6,11-12,15H,7-10,13H2,(H,28,29)(H,25,26,27)/t15-,22- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Berne
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A kinase autophosphorylation at Thr288 in human HeLa Kyoto cells incubated for 20 hrs |
J Med Chem 59: 7188-211 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50198076
(CHEMBL3939478)Show SMILES CN1\C(S\C(=C/c2ccncc2)C1=O)=N\c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C17H12F3N3OS/c1-23-15(24)14(10-11-6-8-21-9-7-11)25-16(23)22-13-4-2-12(3-5-13)17(18,19)20/h2-10H,1H3/b14-10-,22-16- | 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 | 370 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Berne
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su... |
J Med Chem 59: 7188-211 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50198042
(CHEMBL3935395)Show SMILES CCN1\C(S\C(=C/c2ccncc2)C1=O)=N\c1ccc(CC)cc1 Show InChI InChI=1S/C19H19N3OS/c1-3-14-5-7-16(8-6-14)21-19-22(4-2)18(23)17(24-19)13-15-9-11-20-12-10-15/h5-13H,3-4H2,1-2H3/b17-13-,21-19- | 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 |
University of Berne
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su... |
J Med Chem 59: 7188-211 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50198041
(CHEMBL3984254)Show InChI InChI=1S/C18H17N3OS/c1-3-13-4-6-15(7-5-13)20-18-21(2)17(22)16(23-18)12-14-8-10-19-11-9-14/h4-12H,3H2,1-2H3/b16-12-,20-18- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 390 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Berne
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su... |
J Med Chem 59: 7188-211 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50198152
(CHEMBL3923442)Show InChI InChI=1S/C17H15N3OS/c1-2-12-3-5-14(6-4-12)19-17-20-16(21)15(22-17)11-13-7-9-18-10-8-13/h3-11H,2H2,1H3,(H,19,20,21)/b15-11- | 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 | 430 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Berne
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su... |
J Med Chem 59: 7188-211 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50198048
(CHEMBL3941909)Show SMILES CCc1ccc(cc1)\N=C1/S\C(=C/c2ccncc2)C(=O)N1CCOC Show InChI InChI=1S/C20H21N3O2S/c1-3-15-4-6-17(7-5-15)22-20-23(12-13-25-2)19(24)18(26-20)14-16-8-10-21-11-9-16/h4-11,14H,3,12-13H2,1-2H3/b18-14-,22-20- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 480 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Berne
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su... |
J Med Chem 59: 7188-211 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50198043
(CHEMBL3983087)Show SMILES CCc1ccc(cc1)\N=C1/S\C(=C/c2ccnc(Nc3ccccc3)c2)C(=O)N1C Show InChI InChI=1S/C24H22N4OS/c1-3-17-9-11-20(12-10-17)27-24-28(2)23(29)21(30-24)15-18-13-14-25-22(16-18)26-19-7-5-4-6-8-19/h4-16H,3H2,1-2H3,(H,25,26)/b21-15-,27-24- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Berne
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su... |
J Med Chem 59: 7188-211 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50198027
(CHEMBL3921246)Show SMILES CCc1ccc(cc1)\N=C1/S\C(=C/c2ccnc(Nc3ccc(cn3)C(O)=O)c2)C(=O)N1C Show InChI InChI=1S/C24H21N5O3S/c1-3-15-4-7-18(8-5-15)27-24-29(2)22(30)19(33-24)12-16-10-11-25-21(13-16)28-20-9-6-17(14-26-20)23(31)32/h4-14H,3H2,1-2H3,(H,31,32)(H,25,26,28)/b19-12-,27-24- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 760 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Berne
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A kinase autophosphorylation at Thr288 in human HeLa Kyoto cells incubated for 20 hrs |
J Med Chem 59: 7188-211 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50198162
(CHEMBL3938394)Show SMILES CC(C)c1ccc(cc1)\N=C1/S\C(=C/c2ccncc2)C(=O)N1C Show InChI InChI=1S/C19H19N3OS/c1-13(2)15-4-6-16(7-5-15)21-19-22(3)18(23)17(24-19)12-14-8-10-20-11-9-14/h4-13H,1-3H3/b17-12-,21-19- | 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 | 780 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Berne
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su... |
J Med Chem 59: 7188-211 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5 |
More data for this
Ligand-Target Pair | |
Aurora kinase B/Inner centromere protein
(Homo sapiens (Human)) | BDBM50198044
(CHEMBL3903187)Show SMILES CCc1ccc(cc1)\N=C1/S\C(=C/c2ccnc(Nc3ccc(cc3)-c3nnn[nH]3)c2)C(=O)N1C Show InChI InChI=1S/C25H22N8OS/c1-3-16-4-8-20(9-5-16)28-25-33(2)24(34)21(35-25)14-17-12-13-26-22(15-17)27-19-10-6-18(7-11-19)23-29-31-32-30-23/h4-15H,3H2,1-2H3,(H,26,27)(H,29,30,31,32)/b21-14-,28-25- | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 830 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Berne
Curated by ChEMBL
| Assay Description
Inhibition of Aurora-B/INCENP (unknown origin) using biotinylated STK2 substrate incubated for 30 mins by HTRF assay |
J Med Chem 59: 7188-211 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50198153
(CHEMBL3924626)Show InChI InChI=1S/C18H20N4OS/c1-3-12-4-6-14(7-5-12)21-18-22(2)17(23)15(24-18)10-13-8-9-20-16(19)11-13/h4-9,11,15H,3,10H2,1-2H3,(H2,19,20)/b21-18- | 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 | 1.29E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Berne
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su... |
J Med Chem 59: 7188-211 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5 |
More data for this
Ligand-Target Pair | |
Aurora kinase B/Inner centromere protein
(Homo sapiens (Human)) | BDBM50198086
(CHEMBL3985313)Show SMILES CCc1ccc(cc1)\N=C1/S\C(=C/c2ccnc(NC(=O)CCCC(O)=O)c2)C(=O)N1C Show InChI InChI=1S/C23H24N4O4S/c1-3-15-7-9-17(10-8-15)25-23-27(2)22(31)18(32-23)13-16-11-12-24-19(14-16)26-20(28)5-4-6-21(29)30/h7-14H,3-6H2,1-2H3,(H,29,30)(H,24,26,28)/b18-13-,25-23- | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Berne
Curated by ChEMBL
| Assay Description
Inhibition of Aurora-B/INCENP (unknown origin) using biotinylated STK2 substrate incubated for 30 mins by HTRF assay |
J Med Chem 59: 7188-211 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50198027
(CHEMBL3921246)Show SMILES CCc1ccc(cc1)\N=C1/S\C(=C/c2ccnc(Nc3ccc(cn3)C(O)=O)c2)C(=O)N1C Show InChI InChI=1S/C24H21N5O3S/c1-3-15-4-7-18(8-5-15)27-24-29(2)22(30)19(33-24)12-16-10-11-25-21(13-16)28-20-9-6-17(14-26-20)23(31)32/h4-14H,3H2,1-2H3,(H,31,32)(H,25,26,28)/b19-12-,27-24- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Berne
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su... |
J Med Chem 59: 7188-211 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Aurora kinase B/Inner centromere protein
(Homo sapiens (Human)) | BDBM50198082
(CHEMBL3904239)Show SMILES CCc1ccc(cc1)\N=C1/S\C(=C/c2ccnc(Nc3ccc(cc3)C(O)=O)c2)C(=O)N1C Show InChI InChI=1S/C25H22N4O3S/c1-3-16-4-8-20(9-5-16)28-25-29(2)23(30)21(33-25)14-17-12-13-26-22(15-17)27-19-10-6-18(7-11-19)24(31)32/h4-15H,3H2,1-2H3,(H,26,27)(H,31,32)/b21-14-,28-25- | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.54E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Berne
Curated by ChEMBL
| Assay Description
Inhibition of Aurora-B/INCENP (unknown origin) using biotinylated STK2 substrate incubated for 30 mins by HTRF assay |
J Med Chem 59: 7188-211 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50198046
(CHEMBL3911508)Show SMILES CN1\C(S\C(=C/c2ccncc2)C1=O)=N\c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C20H21N3OS/c1-20(2,3)15-5-7-16(8-6-15)22-19-23(4)18(24)17(25-19)13-14-9-11-21-12-10-14/h5-13H,1-4H3/b17-13-,22-19- | 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 | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Berne
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su... |
J Med Chem 59: 7188-211 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5 |
More data for this
Ligand-Target Pair | |
Aurora kinase B/Inner centromere protein
(Homo sapiens (Human)) | BDBM50198081
(CHEMBL3915550)Show SMILES CCc1ccc(cc1)\N=C1/S\C(=C/c2ccnc(NC(=O)CCC(O)=O)c2)C(=O)N1C Show InChI InChI=1S/C22H22N4O4S/c1-3-14-4-6-16(7-5-14)24-22-26(2)21(30)17(31-22)12-15-10-11-23-18(13-15)25-19(27)8-9-20(28)29/h4-7,10-13H,3,8-9H2,1-2H3,(H,28,29)(H,23,25,27)/b17-12-,24-22- | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Berne
Curated by ChEMBL
| Assay Description
Inhibition of Aurora-B/INCENP (unknown origin) using biotinylated STK2 substrate incubated for 30 mins by HTRF assay |
J Med Chem 59: 7188-211 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50198159
(CHEMBL3956916)Show SMILES CCCc1ccc(cc1)\N=C1/S\C(=C/c2ccncc2)C(=O)N1C Show InChI InChI=1S/C19H19N3OS/c1-3-4-14-5-7-16(8-6-14)21-19-22(2)18(23)17(24-19)13-15-9-11-20-12-10-15/h5-13H,3-4H2,1-2H3/b17-13-,21-19- | 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 | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Berne
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su... |
J Med Chem 59: 7188-211 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50198074
(CHEMBL3914435)Show SMILES CN1\C(S\C(=C/c2ccncc2)C1=O)=N\c1ccc(C)c(C)c1 Show InChI InChI=1S/C18H17N3OS/c1-12-4-5-15(10-13(12)2)20-18-21(3)17(22)16(23-18)11-14-6-8-19-9-7-14/h4-11H,1-3H3/b16-11-,20-18- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Berne
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su... |
J Med Chem 59: 7188-211 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50198154
(CHEMBL3949078)Show InChI InChI=1S/C14H10N4O2/c19-8-5-6-12-11(7-8)17-14(20)18(12)13-15-9-3-1-2-4-10(9)16-13/h1-7,19H,(H,15,16)(H,17,20) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Berne
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su... |
J Med Chem 59: 7188-211 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Aurora kinase B/Inner centromere protein
(Homo sapiens (Human)) | BDBM50198045
(CHEMBL3975102)Show SMILES CCc1ccc(cc1)\N=C1/S\C(=C/c2ccnc(Nc3ccc(CO)cc3)c2)C(=O)N1C Show InChI InChI=1S/C25H24N4O2S/c1-3-17-4-8-21(9-5-17)28-25-29(2)24(31)22(32-25)14-19-12-13-26-23(15-19)27-20-10-6-18(16-30)7-11-20/h4-15,30H,3,16H2,1-2H3,(H,26,27)/b22-14-,28-25- | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Berne
Curated by ChEMBL
| Assay Description
Inhibition of Aurora-B/INCENP (unknown origin) using biotinylated STK2 substrate incubated for 30 mins by HTRF assay |
J Med Chem 59: 7188-211 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5 |
More data for this
Ligand-Target Pair | |
Aurora kinase B/Inner centromere protein
(Homo sapiens (Human)) | BDBM50198080
(CHEMBL3932394)Show SMILES CCc1ccc(cc1)\N=C1/S\C(=C/c2ccnc(NC(=O)CC(O)=O)c2)C(=O)N1C Show InChI InChI=1S/C21H20N4O4S/c1-3-13-4-6-15(7-5-13)23-21-25(2)20(29)16(30-21)10-14-8-9-22-17(11-14)24-18(26)12-19(27)28/h4-11H,3,12H2,1-2H3,(H,27,28)(H,22,24,26)/b16-10-,23-21- | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
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 |
University of Berne
Curated by ChEMBL
| Assay Description
Inhibition of Aurora-B/INCENP (unknown origin) using biotinylated STK2 substrate incubated for 30 mins by HTRF assay |
J Med Chem 59: 7188-211 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50198049
(CHEMBL3967949)Show SMILES CCCCc1ccc(cc1)\N=C1/S\C(=C/c2ccncc2)C(=O)N1C Show InChI InChI=1S/C20H21N3OS/c1-3-4-5-15-6-8-17(9-7-15)22-20-23(2)19(24)18(25-20)14-16-10-12-21-13-11-16/h6-14H,3-5H2,1-2H3/b18-14-,22-20- | 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 | 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Berne
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su... |
J Med Chem 59: 7188-211 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50198050
(CHEMBL3921919)Show SMILES OC(=O)c1ccc2[nH]c(=O)n(-c3nc4ccccc4[nH]3)c2c1 Show InChI InChI=1S/C15H10N4O3/c20-13(21)8-5-6-11-12(7-8)19(15(22)18-11)14-16-9-3-1-2-4-10(9)17-14/h1-7H,(H,16,17)(H,18,22)(H,20,21) | 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 | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Berne
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su... |
J Med Chem 59: 7188-211 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50198157
(CHEMBL3974813)Show SMILES OC(=O)c1ccc2n(-c3nc4ccccc4[nH]3)c(=O)[nH]c2c1 Show InChI InChI=1S/C15H10N4O3/c20-13(21)8-5-6-12-11(7-8)18-15(22)19(12)14-16-9-3-1-2-4-10(9)17-14/h1-7H,(H,16,17)(H,18,22)(H,20,21) | 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 | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Berne
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su... |
J Med Chem 59: 7188-211 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50198051
(CHEMBL3984529)Show InChI InChI=1S/C18H17N3OS/c1-3-13-5-4-6-15(11-13)20-18-21(2)17(22)16(23-18)12-14-7-9-19-10-8-14/h4-12H,3H2,1-2H3/b16-12-,20-18- | 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 | 4.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Berne
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su... |
J Med Chem 59: 7188-211 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50198053
(CHEMBL3976213)Show InChI InChI=1S/C14H10N4O/c19-14-17-11-7-3-4-8-12(11)18(14)13-15-9-5-1-2-6-10(9)16-13/h1-8H,(H,15,16)(H,17,19) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Berne
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su... |
J Med Chem 59: 7188-211 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50197973
(CHEMBL3920194)Show InChI InChI=1S/C15H12N4O/c1-9-6-7-10-12(8-9)17-14(16-10)19-13-5-3-2-4-11(13)18-15(19)20/h2-8H,1H3,(H,16,17)(H,18,20) | 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 | 7.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Berne
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su... |
J Med Chem 59: 7188-211 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50198083
(CHEMBL3955906)Show InChI InChI=1S/C16H13N3OS/c1-19-15(20)14(11-12-7-9-17-10-8-12)21-16(19)18-13-5-3-2-4-6-13/h2-11H,1H3/b14-11-,18-16- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Berne
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su... |
J Med Chem 59: 7188-211 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50198155
(CHEMBL3905664)Show InChI InChI=1S/C14H9BrN4O/c15-8-5-6-9-11(7-8)17-13(16-9)19-12-4-2-1-3-10(12)18-14(19)20/h1-7H,(H,16,17)(H,18,20) | 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 | 9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Berne
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su... |
J Med Chem 59: 7188-211 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5 |
More data for this
Ligand-Target Pair | |
Aurora kinase B/Inner centromere protein
(Homo sapiens (Human)) | BDBM50198079
(CHEMBL3924918)Show SMILES CCc1ccc(cc1)\N=C1/S\C(=C/c2ccnc(NC(=O)CCN)c2)C(=O)N1C Show InChI InChI=1S/C21H23N5O2S/c1-3-14-4-6-16(7-5-14)24-21-26(2)20(28)17(29-21)12-15-9-11-23-18(13-15)25-19(27)8-10-22/h4-7,9,11-13H,3,8,10,22H2,1-2H3,(H,23,25,27)/b17-12-,24-21- | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Berne
Curated by ChEMBL
| Assay Description
Inhibition of Aurora-B/INCENP (unknown origin) using biotinylated STK2 substrate incubated for 30 mins by HTRF assay |
J Med Chem 59: 7188-211 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50197972
(CHEMBL3982818)Show SMILES CNC(=O)c1ccc2[nH]c(=O)n(-c3nc4ccccc4[nH]3)c2c1 Show InChI InChI=1S/C16H13N5O2/c1-17-14(22)9-6-7-12-13(8-9)21(16(23)20-12)15-18-10-4-2-3-5-11(10)19-15/h2-8H,1H3,(H,17,22)(H,18,19)(H,20,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Berne
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su... |
J Med Chem 59: 7188-211 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50197976
(CHEMBL3915966)Show InChI InChI=1S/C14H10N4O2/c19-8-5-6-11-12(7-8)18(14(20)17-11)13-15-9-3-1-2-4-10(9)16-13/h1-7,19H,(H,15,16)(H,17,20) | 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 | 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Berne
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su... |
J Med Chem 59: 7188-211 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50198069
(CHEMBL3981269)Show InChI InChI=1S/C15H12N4O/c1-9-5-4-7-11-13(9)18-14(16-11)19-12-8-3-2-6-10(12)17-15(19)20/h2-8H,1H3,(H,16,18)(H,17,20) | 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 | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Berne
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su... |
J Med Chem 59: 7188-211 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50198071
(CHEMBL3902875)Show InChI InChI=1S/C14H10N4O2/c19-11-7-3-6-10-12(11)18(14(20)17-10)13-15-8-4-1-2-5-9(8)16-13/h1-7,19H,(H,15,16)(H,17,20) | 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 | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Berne
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su... |
J Med Chem 59: 7188-211 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50198163
(CHEMBL3966317)Show InChI InChI=1S/C14H10N4O2/c19-11-7-3-6-10-12(11)17-14(20)18(10)13-15-8-4-1-2-5-9(8)16-13/h1-7,19H,(H,15,16)(H,17,20) | 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 | 2.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Berne
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su... |
J Med Chem 59: 7188-211 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5 |
More data for this
Ligand-Target Pair | |
Aurora kinase B/Inner centromere protein
(Homo sapiens (Human)) | BDBM50198078
(CHEMBL3941377)Show SMILES CCc1ccc(cc1)\N=C1/S\C(=C/c2ccnc(N)c2)C(=O)N1C Show InChI InChI=1S/C18H18N4OS/c1-3-12-4-6-14(7-5-12)21-18-22(2)17(23)15(24-18)10-13-8-9-20-16(19)11-13/h4-11H,3H2,1-2H3,(H2,19,20)/b15-10-,21-18- | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Berne
Curated by ChEMBL
| Assay Description
Inhibition of Aurora-B/INCENP (unknown origin) using biotinylated STK2 substrate incubated for 30 mins by HTRF assay |
J Med Chem 59: 7188-211 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50198156
(CHEMBL3930861)Show InChI InChI=1S/C14H9ClN4O/c15-8-5-6-11-12(7-8)19(14(20)18-11)13-16-9-3-1-2-4-10(9)17-13/h1-7H,(H,16,17)(H,18,20) | 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 | 2.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Berne
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su... |
J Med Chem 59: 7188-211 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5 |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50198027
(CHEMBL3921246)Show SMILES CCc1ccc(cc1)\N=C1/S\C(=C/c2ccnc(Nc3ccc(cn3)C(O)=O)c2)C(=O)N1C Show InChI InChI=1S/C24H21N5O3S/c1-3-15-4-7-18(8-5-15)27-24-29(2)22(30)19(33-24)12-16-10-11-25-21(13-16)28-20-9-6-17(14-26-20)23(31)32/h4-14H,3H2,1-2H3,(H,31,32)(H,25,26,28)/b19-12-,27-24- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Berne
Curated by ChEMBL
| Assay Description
Inhibition of Aurora B kinase in human HeLa Kyoto cells assessed as effect on distribution of phspho-histone H3 ser10 level incubated for 20 hrs |
J Med Chem 59: 7188-211 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50198073
(CHEMBL3903930)Show SMILES CNC(=O)c1ccc2n(-c3nc4ccccc4[nH]3)c(=O)[nH]c2c1 Show InChI InChI=1S/C16H13N5O2/c1-17-14(22)9-6-7-13-12(8-9)20-16(23)21(13)15-18-10-4-2-3-5-11(10)19-15/h2-8H,1H3,(H,17,22)(H,18,19)(H,20,23) | 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 | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Berne
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su... |
J Med Chem 59: 7188-211 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50198160
(CHEMBL3929346)Show InChI InChI=1S/C18H17N3OS/c1-3-14-6-4-5-7-15(14)20-18-21(2)17(22)16(23-18)12-13-8-10-19-11-9-13/h4-12H,3H2,1-2H3/b16-12-,20-18- | 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 | 5.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Berne
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su... |
J Med Chem 59: 7188-211 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50198070
(CHEMBL3893267)Show SMILES FC(F)(F)c1ccc2[nH]c(nc2c1)-n1c2ccccc2[nH]c1=O Show InChI InChI=1S/C15H9F3N4O/c16-15(17,18)8-5-6-9-11(7-8)20-13(19-9)22-12-4-2-1-3-10(12)21-14(22)23/h1-7H,(H,19,20)(H,21,23) | 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 | >7.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Berne
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su... |
J Med Chem 59: 7188-211 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50198161
(CHEMBL3915641)Show SMILES CCc1ccc(cc1)\N=C1/SC2(CC2c2ccnc(N)c2)C(=O)N1C Show InChI InChI=1S/C19H20N4OS/c1-3-12-4-6-14(7-5-12)22-18-23(2)17(24)19(25-18)11-15(19)13-8-9-21-16(20)10-13/h4-10,15H,3,11H2,1-2H3,(H2,20,21)/b22-18- | 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 | 7.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Berne
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su... |
J Med Chem 59: 7188-211 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50198026
(CHEMBL3970952)Show SMILES CCc1ccc(cc1)\N=C1/S\C(=C/c2ccncc2)C(=O)N1CC1CCCCC1 Show InChI InChI=1S/C24H27N3OS/c1-2-18-8-10-21(11-9-18)26-24-27(17-20-6-4-3-5-7-20)23(28)22(29-24)16-19-12-14-25-15-13-19/h8-16,20H,2-7,17H2,1H3/b22-16-,26-24- | 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 | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Berne
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su... |
J Med Chem 59: 7188-211 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50198072
(CHEMBL3912939)Show InChI InChI=1S/C14H9ClN4O/c15-8-5-6-12-11(7-8)18-14(20)19(12)13-16-9-3-1-2-4-10(9)17-13/h1-7H,(H,16,17)(H,18,20) | 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 | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Berne
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su... |
J Med Chem 59: 7188-211 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50198158
(CHEMBL3985380)Show SMILES CCc1ccc(cc1)\N=C1\SC2(CC2c2ccnc(N)c2)C(=O)N1C Show InChI InChI=1S/C19H20N4OS/c1-3-12-4-6-14(7-5-12)22-18-23(2)17(24)19(25-18)11-15(19)13-8-9-21-16(20)10-13/h4-10,15H,3,11H2,1-2H3,(H2,20,21)/b22-18+ | 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 | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Berne
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su... |
J Med Chem 59: 7188-211 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5 |
More data for this
Ligand-Target Pair | |
Macrophage colony-stimulating factor 1 receptor
(Homo sapiens (Human)) | BDBM50198027
(CHEMBL3921246)Show SMILES CCc1ccc(cc1)\N=C1/S\C(=C/c2ccnc(Nc3ccc(cn3)C(O)=O)c2)C(=O)N1C Show InChI InChI=1S/C24H21N5O3S/c1-3-15-4-7-18(8-5-15)27-24-29(2)22(30)19(33-24)12-16-10-11-25-21(13-16)28-20-9-6-17(14-26-20)23(31)32/h4-14H,3H2,1-2H3,(H,31,32)(H,25,26,28)/b19-12-,27-24- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a |
University of Berne
Curated by ChEMBL
| Assay Description
Binding affinity to auto-inhibited human CSF1R expressed in Escherichia coli BL21 cells incubated for 1 hr by active site directed binding competitio... |
J Med Chem 59: 7188-211 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 19
(Homo sapiens (Human)) | BDBM50198027
(CHEMBL3921246)Show SMILES CCc1ccc(cc1)\N=C1/S\C(=C/c2ccnc(Nc3ccc(cn3)C(O)=O)c2)C(=O)N1C Show InChI InChI=1S/C24H21N5O3S/c1-3-15-4-7-18(8-5-15)27-24-29(2)22(30)19(33-24)12-16-10-11-25-21(13-16)28-20-9-6-17(14-26-20)23(31)32/h4-14H,3H2,1-2H3,(H,31,32)(H,25,26,28)/b19-12-,27-24- | KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | n/a | 2.90E+3 | n/a | n/a | n/a | n/a | n/a |
University of Berne
Curated by ChEMBL
| Assay Description
Binding affinity to human YSK4 expressed in Escherichia coli BL21 cells incubated for 1 hr by active site directed binding competition assay |
J Med Chem 59: 7188-211 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50198027
(CHEMBL3921246)Show SMILES CCc1ccc(cc1)\N=C1/S\C(=C/c2ccnc(Nc3ccc(cn3)C(O)=O)c2)C(=O)N1C Show InChI InChI=1S/C24H21N5O3S/c1-3-15-4-7-18(8-5-15)27-24-29(2)22(30)19(33-24)12-16-10-11-25-21(13-16)28-20-9-6-17(14-26-20)23(31)32/h4-14H,3H2,1-2H3,(H,31,32)(H,25,26,28)/b19-12-,27-24- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a |
University of Berne
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A kinase in human HeLa Kyoto cells assessed as induction of defective chromosome alignment during metaphase incubated for 20 hrs |
J Med Chem 59: 7188-211 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Phosphatidylinositol 5-phosphate 4-kinase type-2 gamma
(Homo sapiens (Human)) | BDBM50198027
(CHEMBL3921246)Show SMILES CCc1ccc(cc1)\N=C1/S\C(=C/c2ccnc(Nc3ccc(cn3)C(O)=O)c2)C(=O)N1C Show InChI InChI=1S/C24H21N5O3S/c1-3-15-4-7-18(8-5-15)27-24-29(2)22(30)19(33-24)12-16-10-11-25-21(13-16)28-20-9-6-17(14-26-20)23(31)32/h4-14H,3H2,1-2H3,(H,31,32)(H,25,26,28)/b19-12-,27-24- | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | n/a | 480 | n/a | n/a | n/a | n/a | n/a |
University of Berne
Curated by ChEMBL
| Assay Description
Binding affinity to human PIP5K2C expressed in Escherichia coli BL21 cells incubated for 1 hr by active site directed binding competition assay |
J Med Chem 59: 7188-211 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5 |
More data for this
Ligand-Target Pair | |
Death-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50198027
(CHEMBL3921246)Show SMILES CCc1ccc(cc1)\N=C1/S\C(=C/c2ccnc(Nc3ccc(cn3)C(O)=O)c2)C(=O)N1C Show InChI InChI=1S/C24H21N5O3S/c1-3-15-4-7-18(8-5-15)27-24-29(2)22(30)19(33-24)12-16-10-11-25-21(13-16)28-20-9-6-17(14-26-20)23(31)32/h4-14H,3H2,1-2H3,(H,31,32)(H,25,26,28)/b19-12-,27-24- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | n/a | 450 | n/a | n/a | n/a | n/a | n/a |
University of Berne
Curated by ChEMBL
| Assay Description
Binding affinity to human DAPK2 expressed in Escherichia coli BL21 cells incubated for 1 hr by active site directed binding competition assay |
J Med Chem 59: 7188-211 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50198027
(CHEMBL3921246)Show SMILES CCc1ccc(cc1)\N=C1/S\C(=C/c2ccnc(Nc3ccc(cn3)C(O)=O)c2)C(=O)N1C Show InChI InChI=1S/C24H21N5O3S/c1-3-15-4-7-18(8-5-15)27-24-29(2)22(30)19(33-24)12-16-10-11-25-21(13-16)28-20-9-6-17(14-26-20)23(31)32/h4-14H,3H2,1-2H3,(H,31,32)(H,25,26,28)/b19-12-,27-24- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a |
University of Berne
Curated by ChEMBL
| Assay Description
Binding affinity to human PIK3CG expressed in Escherichia coli BL21 cells incubated for 1 hr by active site directed binding competition assay |
J Med Chem 59: 7188-211 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5 |
More data for this
Ligand-Target Pair | |
Aurora kinase C
(Homo sapiens (Human)) | BDBM50198027
(CHEMBL3921246)Show SMILES CCc1ccc(cc1)\N=C1/S\C(=C/c2ccnc(Nc3ccc(cn3)C(O)=O)c2)C(=O)N1C Show InChI InChI=1S/C24H21N5O3S/c1-3-15-4-7-18(8-5-15)27-24-29(2)22(30)19(33-24)12-16-10-11-25-21(13-16)28-20-9-6-17(14-26-20)23(31)32/h4-14H,3H2,1-2H3,(H,31,32)(H,25,26,28)/b19-12-,27-24- | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a |
University of Berne
Curated by ChEMBL
| Assay Description
Binding affinity to human Aurora C kinase expressed in Escherichia coli BL21 cells incubated for 1 hr by active site directed binding competition ass... |
J Med Chem 59: 7188-211 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5 |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50198027
(CHEMBL3921246)Show SMILES CCc1ccc(cc1)\N=C1/S\C(=C/c2ccnc(Nc3ccc(cn3)C(O)=O)c2)C(=O)N1C Show InChI InChI=1S/C24H21N5O3S/c1-3-15-4-7-18(8-5-15)27-24-29(2)22(30)19(33-24)12-16-10-11-25-21(13-16)28-20-9-6-17(14-26-20)23(31)32/h4-14H,3H2,1-2H3,(H,31,32)(H,25,26,28)/b19-12-,27-24- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a |
University of Berne
Curated by ChEMBL
| Assay Description
Binding affinity to human Aurora B kinase expressed in Escherichia coli BL21 cells incubated for 1 hr by active site directed binding competition ass... |
J Med Chem 59: 7188-211 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50198027
(CHEMBL3921246)Show SMILES CCc1ccc(cc1)\N=C1/S\C(=C/c2ccnc(Nc3ccc(cn3)C(O)=O)c2)C(=O)N1C Show InChI InChI=1S/C24H21N5O3S/c1-3-15-4-7-18(8-5-15)27-24-29(2)22(30)19(33-24)12-16-10-11-25-21(13-16)28-20-9-6-17(14-26-20)23(31)32/h4-14H,3H2,1-2H3,(H,31,32)(H,25,26,28)/b19-12-,27-24- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a |
University of Berne
Curated by ChEMBL
| Assay Description
Binding affinity to human Aurora A kinase expressed in Escherichia coli BL21 cells incubated for 1 hr by active site directed binding competition ass... |
J Med Chem 59: 7188-211 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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