BindingDB logo
myBDB logout

PubMed code 25042560

Compile data set for download or QSAR
Found 18 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Aurora kinase B


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of Aurora B (unknown origin) using [33P]-ATP and 10 uM ATP after 2 hrs


Bioorg Med Chem 22: 4855-66 (2014)


Article DOI: 10.1016/j.bmc.2014.06.047
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50053262
PNG
(CHEMBL3322935)
Show SMILES COC(=O)c1cccc(NC(=O)c2cc(ccc2O)-n2cc(nn2)-c2cc(OC)cc(OC)c2)c1
Show InChI InChI=1S/C25H22N4O6/c1-33-19-10-16(11-20(13-19)34-2)22-14-29(28-27-22)18-7-8-23(30)21(12-18)24(31)26-17-6-4-5-15(9-17)25(32)35-3/h4-14,30H,1-3H3,(H,26,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 370n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin) using [33P]-ATP and 10 uM ATP after 2 hrs


Bioorg Med Chem 22: 4855-66 (2014)


Article DOI: 10.1016/j.bmc.2014.06.047
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50053263
PNG
(CHEMBL3322937)
Show SMILES Oc1ccc(cc1C(=O)Nc1cccc(c1)C(F)(F)F)-n1cc(nn1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C24H13F9N4O2/c25-22(26,27)13-2-1-3-16(9-13)34-21(39)18-10-17(4-5-20(18)38)37-11-19(35-36-37)12-6-14(23(28,29)30)8-15(7-12)24(31,32)33/h1-11,38H,(H,34,39)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 690n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin) using [33P]-ATP and 10 uM ATP after 2 hrs


Bioorg Med Chem 22: 4855-66 (2014)


Article DOI: 10.1016/j.bmc.2014.06.047
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50053269
PNG
(CHEMBL3323022)
Show SMILES COc1cc(OC)c(cc1Cl)-c1cn(nn1)-c1ccc(O)c(c1)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C24H18ClF3N4O4/c1-35-21-11-22(36-2)18(25)10-16(21)19-12-32(31-30-19)15-6-7-20(33)17(9-15)23(34)29-14-5-3-4-13(8-14)24(26,27)28/h3-12,33H,1-2H3,(H,29,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 720n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin) using [33P]-ATP and 10 uM ATP after 2 hrs


Bioorg Med Chem 22: 4855-66 (2014)


Article DOI: 10.1016/j.bmc.2014.06.047
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50053264
PNG
(CHEMBL3322940)
Show SMILES Oc1ccc(cc1C(=O)Nc1cccc(c1)C(F)(F)F)-n1cc(nn1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C23H14F3N5O2/c24-23(25,26)16-2-1-3-17(10-16)28-22(33)19-11-18(8-9-21(19)32)31-13-20(29-30-31)15-6-4-14(12-27)5-7-15/h1-11,13,32H,(H,28,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.44E+3n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin) using [33P]-ATP and 10 uM ATP after 2 hrs


Bioorg Med Chem 22: 4855-66 (2014)


Article DOI: 10.1016/j.bmc.2014.06.047
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50053299
PNG
(CHEMBL3323024)
Show SMILES COC(=O)c1ccc(cc1)-c1cn(nn1)-c1ccc(O)c(c1)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C24H17F3N4O4/c1-35-23(34)15-7-5-14(6-8-15)20-13-31(30-29-20)18-9-10-21(32)19(12-18)22(33)28-17-4-2-3-16(11-17)24(25,26)27/h2-13,32H,1H3,(H,28,33)
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/an/a 1.50E+3n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin) using [33P]-ATP and 10 uM ATP after 2 hrs


Bioorg Med Chem 22: 4855-66 (2014)


Article DOI: 10.1016/j.bmc.2014.06.047
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50053270
PNG
(CHEMBL3323023)
Show SMILES Oc1ccc(cc1C(=O)Nc1cccc(c1)C(F)(F)F)-n1cc(nn1)-c1cccc(Cl)c1
Show InChI InChI=1S/C22H14ClF3N4O2/c23-15-5-1-3-13(9-15)19-12-30(29-28-19)17-7-8-20(31)18(11-17)21(32)27-16-6-2-4-14(10-16)22(24,25)26/h1-12,31H,(H,27,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1.56E+3n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin) using [33P]-ATP and 10 uM ATP after 2 hrs


Bioorg Med Chem 22: 4855-66 (2014)


Article DOI: 10.1016/j.bmc.2014.06.047
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50053303
PNG
(CHEMBL3321770)
Show SMILES COC(=O)c1cccc(c1)-c1cn(nn1)-c1ccc(O)c(c1)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C24H17F3N4O4/c1-35-23(34)15-5-2-4-14(10-15)20-13-31(30-29-20)18-8-9-21(32)19(12-18)22(33)28-17-7-3-6-16(11-17)24(25,26)27/h2-13,32H,1H3,(H,28,33)
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/an/a 1.82E+3n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin) using [33P]-ATP and 10 uM ATP after 2 hrs


Bioorg Med Chem 22: 4855-66 (2014)


Article DOI: 10.1016/j.bmc.2014.06.047
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50053301
PNG
(CHEMBL3323029)
Show SMILES Oc1ccc(cc1C(=O)Nc1cccc(c1)C(F)(F)F)-n1cc(nn1)-c1ccsc1
Show InChI InChI=1S/C20H13F3N4O2S/c21-20(22,23)13-2-1-3-14(8-13)24-19(29)16-9-15(4-5-18(16)28)27-10-17(25-26-27)12-6-7-30-11-12/h1-11,28H,(H,24,29)
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/an/a 1.88E+3n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin) using [33P]-ATP and 10 uM ATP after 2 hrs


Bioorg Med Chem 22: 4855-66 (2014)


Article DOI: 10.1016/j.bmc.2014.06.047
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50053261
PNG
(CHEMBL3322933)
Show SMILES COc1cc(OC)cc(c1)-c1cn(nn1)-c1ccc(O)c(c1)C(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C23H19ClN4O4/c1-31-18-8-14(9-19(12-18)32-2)21-13-28(27-26-21)17-6-7-22(29)20(11-17)23(30)25-16-5-3-4-15(24)10-16/h3-13,29H,1-2H3,(H,25,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.89E+3n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin) using [33P]-ATP and 10 uM ATP after 2 hrs


Bioorg Med Chem 22: 4855-66 (2014)


Article DOI: 10.1016/j.bmc.2014.06.047
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50053262
PNG
(CHEMBL3322935)
Show SMILES COC(=O)c1cccc(NC(=O)c2cc(ccc2O)-n2cc(nn2)-c2cc(OC)cc(OC)c2)c1
Show InChI InChI=1S/C25H22N4O6/c1-33-19-10-16(11-20(13-19)34-2)22-14-29(28-27-22)18-7-8-23(30)21(12-18)24(31)26-17-6-4-5-15(9-17)25(32)35-3/h4-14,30H,1-3H3,(H,26,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.58E+3n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of Aurora B (unknown origin) using [33P]-ATP and 10 uM ATP after 2 hrs


Bioorg Med Chem 22: 4855-66 (2014)


Article DOI: 10.1016/j.bmc.2014.06.047
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50053300
PNG
(CHEMBL3323025)
Show SMILES Cc1cccc(c1)-c1cn(nn1)-c1ccc(O)c(c1)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C23H17F3N4O2/c1-14-4-2-5-15(10-14)20-13-30(29-28-20)18-8-9-21(31)19(12-18)22(32)27-17-7-3-6-16(11-17)23(24,25)26/h2-13,31H,1H3,(H,27,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.83E+3n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin) using [33P]-ATP and 10 uM ATP after 2 hrs


Bioorg Med Chem 22: 4855-66 (2014)


Article DOI: 10.1016/j.bmc.2014.06.047
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50053302
PNG
(CHEMBL3323030)
Show SMILES CC(=O)Nc1cccc(c1)-c1cn(nn1)-c1ccc(O)c(c1)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C24H18F3N5O3/c1-14(33)28-17-6-2-4-15(10-17)21-13-32(31-30-21)19-8-9-22(34)20(12-19)23(35)29-18-7-3-5-16(11-18)24(25,26)27/h2-13,34H,1H3,(H,28,33)(H,29,35)
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/an/a 4.16E+3n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin) using [33P]-ATP and 10 uM ATP after 2 hrs


Bioorg Med Chem 22: 4855-66 (2014)


Article DOI: 10.1016/j.bmc.2014.06.047
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50053263
PNG
(CHEMBL3322937)
Show SMILES Oc1ccc(cc1C(=O)Nc1cccc(c1)C(F)(F)F)-n1cc(nn1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C24H13F9N4O2/c25-22(26,27)13-2-1-3-16(9-13)34-21(39)18-10-17(4-5-20(18)38)37-11-19(35-36-37)12-6-14(23(28,29)30)8-15(7-12)24(31,32)33/h1-11,38H,(H,34,39)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.38E+4n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of Aurora B (unknown origin) using [33P]-ATP and 10 uM ATP after 2 hrs


Bioorg Med Chem 22: 4855-66 (2014)


Article DOI: 10.1016/j.bmc.2014.06.047
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50053302
PNG
(CHEMBL3323030)
Show SMILES CC(=O)Nc1cccc(c1)-c1cn(nn1)-c1ccc(O)c(c1)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C24H18F3N5O3/c1-14(33)28-17-6-2-4-15(10-17)21-13-32(31-30-21)19-8-9-22(34)20(12-19)23(35)29-18-7-3-5-16(11-18)24(25,26)27/h2-13,34H,1H3,(H,28,33)(H,29,35)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 2.18E+4n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of Aurora B (unknown origin) using [33P]-ATP and 10 uM ATP after 2 hrs


Bioorg Med Chem 22: 4855-66 (2014)


Article DOI: 10.1016/j.bmc.2014.06.047
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50053269
PNG
(CHEMBL3323022)
Show SMILES COc1cc(OC)c(cc1Cl)-c1cn(nn1)-c1ccc(O)c(c1)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C24H18ClF3N4O4/c1-35-21-11-22(36-2)18(25)10-16(21)19-12-32(31-30-19)15-6-7-20(33)17(9-15)23(34)29-14-5-3-4-13(8-14)24(26,27)28/h3-12,33H,1-2H3,(H,29,34)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 3.19E+4n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of Aurora B (unknown origin) using [33P]-ATP and 10 uM ATP after 2 hrs


Bioorg Med Chem 22: 4855-66 (2014)


Article DOI: 10.1016/j.bmc.2014.06.047
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50053261
PNG
(CHEMBL3322933)
Show SMILES COc1cc(OC)cc(c1)-c1cn(nn1)-c1ccc(O)c(c1)C(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C23H19ClN4O4/c1-31-18-8-14(9-19(12-18)32-2)21-13-28(27-26-21)17-6-7-22(29)20(11-17)23(30)25-16-5-3-4-15(24)10-16/h3-13,29H,1-2H3,(H,25,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.75E+4n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of Aurora B (unknown origin) using [33P]-ATP and 10 uM ATP after 2 hrs


Bioorg Med Chem 22: 4855-66 (2014)


Article DOI: 10.1016/j.bmc.2014.06.047
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50053303
PNG
(CHEMBL3321770)
Show SMILES COC(=O)c1cccc(c1)-c1cn(nn1)-c1ccc(O)c(c1)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C24H17F3N4O4/c1-35-23(34)15-5-2-4-14(10-15)20-13-31(30-29-20)18-8-9-21(32)19(12-18)22(33)28-17-7-3-6-16(11-17)24(25,26)27/h2-13,32H,1H3,(H,28,33)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 6.32E+4n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of Aurora B (unknown origin) using [33P]-ATP and 10 uM ATP after 2 hrs


Bioorg Med Chem 22: 4855-66 (2014)


Article DOI: 10.1016/j.bmc.2014.06.047
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%