BindingDB logo
myBDB logout

PubMed code 25369539

Compile data set for download or QSAR
Found 116 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
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50059435
PNG
(CHEMBL3393498)
Show SMILES CCOC(=O)c1[nH]cc2[C@@H](C3=C(CCCC3=O)Nc12)c1cccc(Oc2nc3ccccc3[nH]2)c1
Show InChI InChI=1S/C27H24N4O4/c1-2-34-26(33)25-24-17(14-28-25)22(23-20(29-24)11-6-12-21(23)32)15-7-5-8-16(13-15)35-27-30-18-9-3-4-10-19(18)31-27/h3-5,7-10,13-14,22,28-29H,2,6,11-12H2,1H3,(H,30,31)/t22-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
990n/an/an/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP3A4 in liver microsomes by mechanism based inhibition assay


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM21363
PNG
(12-chloro-9-(2-fluorophenyl)-3-methyl-2,4,8-triaza...)
Show SMILES Cc1ncc2CN=C(c3ccccc3F)c3cc(Cl)ccc3-n12
Show InChI InChI=1S/C18H13ClFN3/c1-11-21-9-13-10-22-18(14-4-2-3-5-16(14)20)15-8-12(19)6-7-17(15)23(11)13/h2-9H,10H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
2.47E+3n/an/an/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP3A4 in liver microsomes by mechanism based inhibition assay


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM50059435
PNG
(CHEMBL3393498)
Show SMILES CCOC(=O)c1[nH]cc2[C@@H](C3=C(CCCC3=O)Nc12)c1cccc(Oc2nc3ccccc3[nH]2)c1
Show InChI InChI=1S/C27H24N4O4/c1-2-34-26(33)25-24-17(14-28-25)22(23-20(29-24)11-6-12-21(23)32)15-7-5-8-16(13-15)35-27-30-18-9-3-4-10-19(18)31-27/h3-5,7-10,13-14,22,28-29H,2,6,11-12H2,1H3,(H,30,31)/t22-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PDB
Article
PubMed
n/an/a 0.600n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora A (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM50004205
PNG
(MK-045 | MK-0457 | TOZASERTIB | US9249124, VX680 |...)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.700n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of aurora A (unknown origin)


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM50277545
PNG
(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
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
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

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



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of aurora A (unknown origin)


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM50059435
PNG
(CHEMBL3393498)
Show SMILES CCOC(=O)c1[nH]cc2[C@@H](C3=C(CCCC3=O)Nc12)c1cccc(Oc2nc3ccccc3[nH]2)c1
Show InChI InChI=1S/C27H24N4O4/c1-2-34-26(33)25-24-17(14-28-25)22(23-20(29-24)11-6-12-21(23)32)15-7-5-8-16(13-15)35-27-30-18-9-3-4-10-19(18)31-27/h3-5,7-10,13-14,22,28-29H,2,6,11-12H2,1H3,(H,30,31)/t22-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars

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



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora B (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM50059432
PNG
(CHEMBL3393486)
Show SMILES Cl.CCOC(=O)c1[nH]cc2[C@H](c3ccc(Sc4nc5c(F)cccc5[nH]4)o3)C3=C(CN(CC3=O)C(=O)CN)Nc12
Show InChI InChI=1S/C26H23FN6O5S.ClH/c1-2-37-25(36)24-22-12(9-29-24)20(21-15(30-22)10-33(11-16(21)34)18(35)8-28)17-6-7-19(38-17)39-26-31-14-5-3-4-13(27)23(14)32-26;/h3-7,9,20,29-30H,2,8,10-11,28H2,1H3,(H,31,32);1H/t20-;/m1./s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora B (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM50059443
PNG
(CHEMBL3393472)
Show SMILES CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5ccccc5[nH]4)o3)C3=C(CNCC3=O)Nc12
Show InChI InChI=1S/C24H21N5O4S.ClH.H2O/c1-2-32-23(31)22-21-12(9-26-22)19(20-15(27-21)10-25-11-16(20)30)17-7-8-18(33-17)34-24-28-13-5-3-4-6-14(13)29-24;;/h3-9,19,25-27H,2,10-11H2,1H3,(H,28,29);1H;1H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora B (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM50059454
PNG
(CHEMBL3393470)
Show SMILES COC(=O)c1[nH]cc2C(c3ccc(Sc4nc5ccccc5[nH]4)o3)C3=C(CCCC3=O)Nc12
Show InChI InChI=1S/C24H20N4O4S/c1-31-23(30)22-21-12(11-25-22)19(20-15(26-21)7-4-8-16(20)29)17-9-10-18(32-17)33-24-27-13-5-2-3-6-14(13)28-24/h2-3,5-6,9-11,19,25-26H,4,7-8H2,1H3,(H,27,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora B (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM50059436
PNG
(CHEMBL3393065)
Show SMILES CCOC(=O)c1[nH]cc2C(c3cc(Sc4nc5ccccc5[nH]4)cs3)C3=C(CCCC3=O)Nc12
Show InChI InChI=1S/C25H22N4O3S2/c1-2-32-24(31)23-22-14(11-26-23)20(21-17(27-22)8-5-9-18(21)30)19-10-13(12-33-19)34-25-28-15-6-3-4-7-16(15)29-25/h3-4,6-7,10-12,20,26-27H,2,5,8-9H2,1H3,(H,28,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora B (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM50059454
PNG
(CHEMBL3393470)
Show SMILES COC(=O)c1[nH]cc2C(c3ccc(Sc4nc5ccccc5[nH]4)o3)C3=C(CCCC3=O)Nc12
Show InChI InChI=1S/C24H20N4O4S/c1-31-23(30)22-21-12(11-25-22)19(20-15(26-21)7-4-8-16(20)29)17-9-10-18(32-17)33-24-27-13-5-2-3-6-14(13)28-24/h2-3,5-6,9-11,19,25-26H,4,7-8H2,1H3,(H,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora A (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM50059442
PNG
(CHEMBL3393469)
Show SMILES CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5ccccc5[nH]4)o3)C3=C(CCCC3=O)Nc12
Show InChI InChI=1S/C25H22N4O4S/c1-2-32-24(31)23-22-13(12-26-23)20(21-16(27-22)8-5-9-17(21)30)18-10-11-19(33-18)34-25-28-14-6-3-4-7-15(14)29-25/h3-4,6-7,10-12,20,26-27H,2,5,8-9H2,1H3,(H,28,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora B (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora-C


(Homo sapiens (human))
BDBM50059435
PNG
(CHEMBL3393498)
Show SMILES CCOC(=O)c1[nH]cc2[C@@H](C3=C(CCCC3=O)Nc12)c1cccc(Oc2nc3ccccc3[nH]2)c1
Show InChI InChI=1S/C27H24N4O4/c1-2-34-26(33)25-24-17(14-28-25)22(23-20(29-24)11-6-12-21(23)32)15-7-5-8-16(13-15)35-27-30-18-9-3-4-10-19(18)31-27/h3-5,7-10,13-14,22,28-29H,2,6,11-12H2,1H3,(H,30,31)/t22-/m0/s1
NCI pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora C (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM50059430
PNG
(CHEMBL3393488)
Show SMILES CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5c(F)cccc5[nH]4)o3)C3=C(CNCC3=O)Nc12
Show InChI InChI=1S/C24H20FN5O4S/c1-2-33-23(32)22-20-11(8-27-22)18(19-14(28-20)9-26-10-15(19)31)16-6-7-17(34-16)35-24-29-13-5-3-4-12(25)21(13)30-24/h3-8,18,26-28H,2,9-10H2,1H3,(H,29,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora B (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM50059443
PNG
(CHEMBL3393472)
Show SMILES CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5ccccc5[nH]4)o3)C3=C(CNCC3=O)Nc12
Show InChI InChI=1S/C24H21N5O4S.ClH.H2O/c1-2-32-23(31)22-21-12(9-26-22)19(20-15(27-21)10-25-11-16(20)30)17-7-8-18(33-17)34-24-28-13-5-3-4-6-14(13)29-24;;/h3-9,19,25-27H,2,10-11H2,1H3,(H,28,29);1H;1H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora A (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM50059442
PNG
(CHEMBL3393469)
Show SMILES CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5ccccc5[nH]4)o3)C3=C(CCCC3=O)Nc12
Show InChI InChI=1S/C25H22N4O4S/c1-2-32-24(31)23-22-13(12-26-23)20(21-16(27-22)8-5-9-17(21)30)18-10-11-19(33-18)34-25-28-14-6-3-4-7-15(14)29-25/h3-4,6-7,10-12,20,26-27H,2,5,8-9H2,1H3,(H,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora A (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM50059446
PNG
(CHEMBL3393475)
Show SMILES CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5c(F)cc(F)cc5[nH]4)o3)C3=C(CCCC3=O)Nc12
Show InChI InChI=1S/C25H20F2N4O4S/c1-2-34-24(33)23-21-12(10-28-23)19(20-14(29-21)4-3-5-16(20)32)17-6-7-18(35-17)36-25-30-15-9-11(26)8-13(27)22(15)31-25/h6-10,19,28-29H,2-5H2,1H3,(H,30,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora B (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM50059450
PNG
(CHEMBL3393479)
Show SMILES CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5cccc(Cl)c5[nH]4)o3)C3=C(CCCC3=O)Nc12
Show InChI InChI=1S/C25H21ClN4O4S/c1-2-33-24(32)23-21-12(11-27-23)19(20-14(28-21)6-4-8-16(20)31)17-9-10-18(34-17)35-25-29-15-7-3-5-13(26)22(15)30-25/h3,5,7,9-11,19,27-28H,2,4,6,8H2,1H3,(H,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora A (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM50059433
PNG
(CHEMBL3393485)
Show SMILES Cl.CCOC(=O)c1[nH]cc2[C@H](c3ccc(Sc4nc5ccccc5[nH]4)o3)C3=C(CN(CC3=O)C(=O)CN)Nc12
Show InChI InChI=1S/C26H24N6O5S.ClH/c1-2-36-25(35)24-23-13(10-28-24)21(22-16(29-23)11-32(12-17(22)33)19(34)9-27)18-7-8-20(37-18)38-26-30-14-5-3-4-6-15(14)31-26;/h3-8,10,21,28-29H,2,9,11-12,27H2,1H3,(H,30,31);1H/t21-;/m1./s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora B (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM50059445
PNG
(CHEMBL3393474)
Show SMILES CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5cccc(F)c5[nH]4)o3)C3=C(CCCC3=O)Nc12
Show InChI InChI=1S/C25H21FN4O4S/c1-2-33-24(32)23-21-12(11-27-23)19(20-14(28-21)6-4-8-16(20)31)17-9-10-18(34-17)35-25-29-15-7-3-5-13(26)22(15)30-25/h3,5,7,9-11,19,27-28H,2,4,6,8H2,1H3,(H,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora A (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora-C


(Homo sapiens (human))
BDBM50004205
PNG
(MK-045 | MK-0457 | TOZASERTIB | US9249124, VX680 |...)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)
NCI pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.60n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of aurora C (unknown origin)


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM50059461
PNG
(CHEMBL3393462)
Show SMILES O=C1CCCC2=C1C(c1ccc(Sc3nc4ccccc4[nH]3)o1)c1cn[nH]c1N2
Show InChI InChI=1S/C21H17N5O2S/c27-15-7-3-6-14-19(15)18(11-10-22-26-20(11)23-14)16-8-9-17(28-16)29-21-24-12-4-1-2-5-13(12)25-21/h1-2,4-5,8-10,18H,3,6-7H2,(H,24,25)(H2,22,23,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora B (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM50059431
PNG
(CHEMBL3393487)
Show SMILES CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5cccc(Cl)c5[nH]4)o3)C3=C(CNCC3=O)Nc12
Show InChI InChI=1S/C24H20ClN5O4S/c1-2-33-23(32)22-20-11(8-27-22)18(19-14(28-20)9-26-10-15(19)31)16-6-7-17(34-16)35-24-29-13-5-3-4-12(25)21(13)30-24/h3-8,18,26-28H,2,9-10H2,1H3,(H,29,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora B (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM50059456
PNG
(CHEMBL3393467)
Show SMILES COC(=O)c1csc2C(c3ccc(Sc4nc5ccccc5[nH]4)o3)C3=C(CCCC3=O)Nc12
Show InChI InChI=1S/C24H19N3O4S2/c1-30-23(29)12-11-32-22-20(19-15(25-21(12)22)7-4-8-16(19)28)17-9-10-18(31-17)33-24-26-13-5-2-3-6-14(13)27-24/h2-3,5-6,9-11,20,25H,4,7-8H2,1H3,(H,26,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora B (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM50059593
PNG
(CHEMBL3393484)
Show SMILES CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5ccccc5[nH]4)o3)C3=C(CN(CC)CC3=O)Nc12
Show InChI InChI=1S/C26H25N5O4S/c1-3-31-12-17-22(18(32)13-31)21(14-11-27-24(23(14)28-17)25(33)34-4-2)19-9-10-20(35-19)36-26-29-15-7-5-6-8-16(15)30-26/h5-11,21,27-28H,3-4,12-13H2,1-2H3,(H,29,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora B (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM50059445
PNG
(CHEMBL3393474)
Show SMILES CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5cccc(F)c5[nH]4)o3)C3=C(CCCC3=O)Nc12
Show InChI InChI=1S/C25H21FN4O4S/c1-2-33-24(32)23-21-12(11-27-23)19(20-14(28-21)6-4-8-16(20)31)17-9-10-18(34-17)35-25-29-15-7-3-5-13(26)22(15)30-25/h3,5,7,9-11,19,27-28H,2,4,6,8H2,1H3,(H,29,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora B (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM50059447
PNG
(CHEMBL3393476)
Show SMILES CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5cc(F)c(F)cc5[nH]4)o3)C3=C(CCCC3=O)Nc12
Show InChI InChI=1S/C25H20F2N4O4S/c1-2-34-24(33)23-22-11(10-28-23)20(21-14(29-22)4-3-5-17(21)32)18-6-7-19(35-18)36-25-30-15-8-12(26)13(27)9-16(15)31-25/h6-10,20,28-29H,2-5H2,1H3,(H,30,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora B (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM50059440
PNG
(CHEMBL3393490)
Show SMILES CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5ccccc5[nH]4)o3)C3=C(CN(CC3=O)C(=O)OC(C)(C)C)Nc12
Show InChI InChI=1S/C29H29N5O6S/c1-5-38-26(36)25-24-15(12-30-25)22(23-18(31-24)13-34(14-19(23)35)28(37)40-29(2,3)4)20-10-11-21(39-20)41-27-32-16-8-6-7-9-17(16)33-27/h6-12,22,30-31H,5,13-14H2,1-4H3,(H,32,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora A (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM50059450
PNG
(CHEMBL3393479)
Show SMILES CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5cccc(Cl)c5[nH]4)o3)C3=C(CCCC3=O)Nc12
Show InChI InChI=1S/C25H21ClN4O4S/c1-2-33-24(32)23-21-12(11-27-23)19(20-14(28-21)6-4-8-16(20)31)17-9-10-18(34-17)35-25-29-15-7-3-5-13(26)22(15)30-25/h3,5,7,9-11,19,27-28H,2,4,6,8H2,1H3,(H,29,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora B (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM50059592
PNG
(CHEMBL3393494)
Show SMILES CCOC(=O)c1[nH]cc2C(C3=C(CCCC3=O)Nc12)c1cccc(Sc2nc3ccccc3[nH]2)c1
Show InChI InChI=1S/C27H24N4O3S/c1-2-34-26(33)25-24-17(14-28-25)22(23-20(29-24)11-6-12-21(23)32)15-7-5-8-16(13-15)35-27-30-18-9-3-4-10-19(18)31-27/h3-5,7-10,13-14,22,28-29H,2,6,11-12H2,1H3,(H,30,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora B (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM50059590
PNG
(CHEMBL3393495)
Show SMILES CCOC(=O)c1[nH]cc2C(C3=C(CCCC3=O)Nc12)c1cccc(Sc2nc3ccccc3[nH]2)n1
Show InChI InChI=1S/C26H23N5O3S/c1-2-34-25(33)24-23-14(13-27-24)21(22-18(29-23)9-5-11-19(22)32)17-10-6-12-20(28-17)35-26-30-15-7-3-4-8-16(15)31-26/h3-4,6-8,10,12-13,21,27,29H,2,5,9,11H2,1H3,(H,30,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora B (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM50059449
PNG
(CHEMBL3393478)
Show SMILES CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5c(F)c(F)c(F)cc5[nH]4)o3)C3=C(CCCC3=O)Nc12
Show InChI InChI=1S/C25H19F3N4O4S/c1-2-35-24(34)23-21-10(9-29-23)17(18-12(30-21)4-3-5-14(18)33)15-6-7-16(36-15)37-25-31-13-8-11(26)19(27)20(28)22(13)32-25/h6-9,17,29-30H,2-5H2,1H3,(H,31,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora B (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM50059448
PNG
(CHEMBL3393477)
Show SMILES CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5ccc(F)c(F)c5[nH]4)o3)C3=C(CCCC3=O)Nc12
Show InChI InChI=1S/C25H20F2N4O4S/c1-2-34-24(33)23-21-11(10-28-23)18(19-13(29-21)4-3-5-15(19)32)16-8-9-17(35-16)36-25-30-14-7-6-12(26)20(27)22(14)31-25/h6-10,18,28-29H,2-5H2,1H3,(H,30,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora B (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM50059439
PNG
(CHEMBL3393491)
Show SMILES CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5ccccc5[nH]4)o3)C3=C(CN(Cc4ccccc4)CC3=O)Nc12
Show InChI InChI=1S/C31H27N5O4S/c1-2-39-30(38)29-28-19(14-32-29)26(24-12-13-25(40-24)41-31-34-20-10-6-7-11-21(20)35-31)27-22(33-28)16-36(17-23(27)37)15-18-8-4-3-5-9-18/h3-14,26,32-33H,2,15-17H2,1H3,(H,34,35)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora B (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM50059593
PNG
(CHEMBL3393484)
Show SMILES CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5ccccc5[nH]4)o3)C3=C(CN(CC)CC3=O)Nc12
Show InChI InChI=1S/C26H25N5O4S/c1-3-31-12-17-22(18(32)13-31)21(14-11-27-24(23(14)28-17)25(33)34-4-2)19-9-10-20(35-19)36-26-29-15-7-5-6-8-16(15)30-26/h5-11,21,27-28H,3-4,12-13H2,1-2H3,(H,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 8n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora A (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM50059451
PNG
(CHEMBL3393482)
Show SMILES CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5c(O)cccc5[nH]4)o3)C3=C(CCCC3=O)Nc12
Show InChI InChI=1S/C25H22N4O5S/c1-2-33-24(32)23-21-12(11-26-23)19(20-13(27-21)5-3-7-15(20)30)17-9-10-18(34-17)35-25-28-14-6-4-8-16(31)22(14)29-25/h4,6,8-11,19,26-27,31H,2-3,5,7H2,1H3,(H,28,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora B (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM50059442
PNG
(CHEMBL3393469)
Show SMILES CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5ccccc5[nH]4)o3)C3=C(CCCC3=O)Nc12
Show InChI InChI=1S/C25H22N4O4S/c1-2-32-24(31)23-22-13(12-26-23)20(21-16(27-22)8-5-9-17(21)30)18-10-11-19(33-18)34-25-28-14-6-3-4-7-15(14)29-25/h3-4,6-7,10-12,20,26-27H,2,5,8-9H2,1H3,(H,28,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora B (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM50059446
PNG
(CHEMBL3393475)
Show SMILES CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5c(F)cc(F)cc5[nH]4)o3)C3=C(CCCC3=O)Nc12
Show InChI InChI=1S/C25H20F2N4O4S/c1-2-34-24(33)23-21-12(10-28-23)19(20-14(29-21)4-3-5-16(20)32)17-6-7-18(35-17)36-25-30-15-9-11(26)8-13(27)22(15)31-25/h6-10,19,28-29H,2-5H2,1H3,(H,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 8n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora A (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM50059442
PNG
(CHEMBL3393469)
Show SMILES CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5ccccc5[nH]4)o3)C3=C(CCCC3=O)Nc12
Show InChI InChI=1S/C25H22N4O4S/c1-2-32-24(31)23-22-13(12-26-23)20(21-16(27-22)8-5-9-17(21)30)18-10-11-19(33-18)34-25-28-14-6-3-4-7-15(14)29-25/h3-4,6-7,10-12,20,26-27H,2,5,8-9H2,1H3,(H,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora A (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM50059595
PNG
(CHEMBL3393480)
Show SMILES CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5cc(Cl)ccc5[nH]4)o3)C3=C(CCCC3=O)Nc12
Show InChI InChI=1S/C25H21ClN4O4S/c1-2-33-24(32)23-22-13(11-27-23)20(21-15(28-22)4-3-5-17(21)31)18-8-9-19(34-18)35-25-29-14-7-6-12(26)10-16(14)30-25/h6-11,20,27-28H,2-5H2,1H3,(H,29,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora B (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM50059448
PNG
(CHEMBL3393477)
Show SMILES CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5ccc(F)c(F)c5[nH]4)o3)C3=C(CCCC3=O)Nc12
Show InChI InChI=1S/C25H20F2N4O4S/c1-2-34-24(33)23-21-11(10-28-23)18(19-13(29-21)4-3-5-15(19)32)16-8-9-17(35-16)36-25-30-14-7-6-12(26)20(27)22(14)31-25/h6-10,18,28-29H,2-5H2,1H3,(H,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora A (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM50059444
PNG
(CHEMBL3393473)
Show SMILES CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5cc(F)ccc5[nH]4)o3)C3=C(CCCC3=O)Nc12
Show InChI InChI=1S/C25H21FN4O4S/c1-2-33-24(32)23-22-13(11-27-23)20(21-15(28-22)4-3-5-17(21)31)18-8-9-19(34-18)35-25-29-14-7-6-12(26)10-16(14)30-25/h6-11,20,27-28H,2-5H2,1H3,(H,29,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora B (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM50059439
PNG
(CHEMBL3393491)
Show SMILES CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5ccccc5[nH]4)o3)C3=C(CN(Cc4ccccc4)CC3=O)Nc12
Show InChI InChI=1S/C31H27N5O4S/c1-2-39-30(38)29-28-19(14-32-29)26(24-12-13-25(40-24)41-31-34-20-10-6-7-11-21(20)35-31)27-22(33-28)16-36(17-23(27)37)15-18-8-4-3-5-9-18/h3-14,26,32-33H,2,15-17H2,1H3,(H,34,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora A (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM50059456
PNG
(CHEMBL3393467)
Show SMILES COC(=O)c1csc2C(c3ccc(Sc4nc5ccccc5[nH]4)o3)C3=C(CCCC3=O)Nc12
Show InChI InChI=1S/C24H19N3O4S2/c1-30-23(29)12-11-32-22-20(19-15(25-21(12)22)7-4-8-16(19)28)17-9-10-18(31-17)33-24-26-13-5-2-3-6-14(13)27-24/h2-3,5-6,9-11,20,25H,4,7-8H2,1H3,(H,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora A (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM50059436
PNG
(CHEMBL3393065)
Show SMILES CCOC(=O)c1[nH]cc2C(c3cc(Sc4nc5ccccc5[nH]4)cs3)C3=C(CCCC3=O)Nc12
Show InChI InChI=1S/C25H22N4O3S2/c1-2-32-24(31)23-22-14(11-26-23)20(21-17(27-22)8-5-9-18(21)30)19-10-13(12-33-19)34-25-28-15-6-3-4-7-16(15)29-25/h3-4,6-7,10-12,20,26-27H,2,5,8-9H2,1H3,(H,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora A (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM50059594
PNG
(CHEMBL3393481)
Show SMILES CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5cccnc5[nH]4)o3)C3=C(CCCC3=O)Nc12
Show InChI InChI=1S/C24H21N5O4S/c1-2-32-23(31)21-20-12(11-26-21)18(19-13(27-20)5-3-7-15(19)30)16-8-9-17(33-16)34-24-28-14-6-4-10-25-22(14)29-24/h4,6,8-11,18,26-27H,2-3,5,7H2,1H3,(H,25,28,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora B (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM50059588
PNG
(CHEMBL3393497)
Show SMILES CCOC(=O)c1[nH]cc2C(C3=C(CCCC3=O)Nc12)c1cccc(Oc2nc3ccccc3[nH]2)c1
Show InChI InChI=1S/C27H24N4O4/c1-2-34-26(33)25-24-17(14-28-25)22(23-20(29-24)11-6-12-21(23)32)15-7-5-8-16(13-15)35-27-30-18-9-3-4-10-19(18)31-27/h3-5,7-10,13-14,22,28-29H,2,6,11-12H2,1H3,(H,30,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora B (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM12985
PNG
(5-Amido-pyrrolopyrazole 9d | CHEMBL402548 | N-{5-[...)
Show SMILES CO[C@@H](C(=O)N1Cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCN(C)CC3)c2C1)c1ccccc1
Show InChI InChI=1S/C26H30N6O3/c1-30-12-14-31(15-13-30)20-10-8-19(9-11-20)25(33)27-24-21-16-32(17-22(21)28-29-24)26(34)23(35-2)18-6-4-3-5-7-18/h3-11,23H,12-17H2,1-2H3,(H2,27,28,29,33)/t23-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of aurora A (unknown origin)


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM50277584
PNG
(CHEMBL482968 | N-(5-methyl-1H-pyrazol-3-yl)-6-(4-m...)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(C=Cc2ccccc2)n1
Show InChI InChI=1S/C21H25N7/c1-16-14-20(26-25-16)23-19-15-21(28-12-10-27(2)11-13-28)24-18(22-19)9-8-17-6-4-3-5-7-17/h3-9,14-15H,10-13H2,1-2H3,(H2,22,23,24,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 14n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of aurora A (unknown origin)


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM50059432
PNG
(CHEMBL3393486)
Show SMILES Cl.CCOC(=O)c1[nH]cc2[C@H](c3ccc(Sc4nc5c(F)cccc5[nH]4)o3)C3=C(CN(CC3=O)C(=O)CN)Nc12
Show InChI InChI=1S/C26H23FN6O5S.ClH/c1-2-37-25(36)24-22-12(9-29-24)20(21-15(30-22)10-33(11-16(21)34)18(35)8-28)17-6-7-19(38-17)39-26-31-14-5-3-4-13(27)23(14)32-26;/h3-7,9,20,29-30H,2,8,10-11,28H2,1H3,(H,31,32);1H/t20-;/m1./s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora A (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM50059444
PNG
(CHEMBL3393473)
Show SMILES CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5cc(F)ccc5[nH]4)o3)C3=C(CCCC3=O)Nc12
Show InChI InChI=1S/C25H21FN4O4S/c1-2-33-24(32)23-22-13(11-27-23)20(21-15(28-22)4-3-5-17(21)31)18-8-9-19(34-18)35-25-29-14-7-6-12(26)10-16(14)30-25/h6-11,20,27-28H,2-5H2,1H3,(H,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora A (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM50059596
PNG
(CHEMBL3393471)
Show SMILES OC(=O)c1[nH]cc2C(c3ccc(Sc4nc5ccccc5[nH]4)o3)C3=C(CCCC3=O)Nc12
Show InChI InChI=1S/C23H18N4O4S/c28-15-7-3-6-14-19(15)18(11-10-24-21(22(29)30)20(11)25-14)16-8-9-17(31-16)32-23-26-12-4-1-2-5-13(12)27-23/h1-2,4-5,8-10,18,24-25H,3,6-7H2,(H,26,27)(H,29,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora B (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM50059588
PNG
(CHEMBL3393497)
Show SMILES CCOC(=O)c1[nH]cc2C(C3=C(CCCC3=O)Nc12)c1cccc(Oc2nc3ccccc3[nH]2)c1
Show InChI InChI=1S/C27H24N4O4/c1-2-34-26(33)25-24-17(14-28-25)22(23-20(29-24)11-6-12-21(23)32)15-7-5-8-16(13-15)35-27-30-18-9-3-4-10-19(18)31-27/h3-5,7-10,13-14,22,28-29H,2,6,11-12H2,1H3,(H,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 17n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora A (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM50059441
PNG
(CHEMBL3393489)
Show SMILES CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5ccccc5[nH]4)o3)C3=C(CC(C)(C)CC3=O)Nc12
Show InChI InChI=1S/C27H26N4O4S/c1-4-34-25(33)24-23-14(13-28-24)21(22-17(29-23)11-27(2,3)12-18(22)32)19-9-10-20(35-19)36-26-30-15-7-5-6-8-16(15)31-26/h5-10,13,21,28-29H,4,11-12H2,1-3H3,(H,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 17n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora A (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM50004205
PNG
(MK-045 | MK-0457 | TOZASERTIB | US9249124, VX680 |...)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of aurora B (unknown origin)


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM50059461
PNG
(CHEMBL3393462)
Show SMILES O=C1CCCC2=C1C(c1ccc(Sc3nc4ccccc4[nH]3)o1)c1cn[nH]c1N2
Show InChI InChI=1S/C21H17N5O2S/c27-15-7-3-6-14-19(15)18(11-10-22-26-20(11)23-14)16-8-9-17(28-16)29-21-24-12-4-1-2-5-13(12)25-21/h1-2,4-5,8-10,18H,3,6-7H2,(H,24,25)(H2,22,23,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora A (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM50059458
PNG
(CHEMBL3393465)
Show SMILES NC(=O)c1[nH]nc2C(c3ccc(Sc4nc5ccccc5[nH]4)o3)C3=C(CCCC3=O)Nc12
Show InChI InChI=1S/C22H18N6O3S/c23-21(30)20-19-18(27-28-20)17(16-12(24-19)6-3-7-13(16)29)14-8-9-15(31-14)32-22-25-10-4-1-2-5-11(10)26-22/h1-2,4-5,8-9,17,24H,3,6-7H2,(H2,23,30)(H,25,26)(H,27,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 19n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora B (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM50059433
PNG
(CHEMBL3393485)
Show SMILES Cl.CCOC(=O)c1[nH]cc2[C@H](c3ccc(Sc4nc5ccccc5[nH]4)o3)C3=C(CN(CC3=O)C(=O)CN)Nc12
Show InChI InChI=1S/C26H24N6O5S.ClH/c1-2-36-25(35)24-23-13(10-28-24)21(22-16(29-23)11-32(12-17(22)33)19(34)9-27)18-7-8-20(37-18)38-26-30-14-5-3-4-6-15(14)31-26;/h3-8,10,21,28-29H,2,9,11-12,27H2,1H3,(H,30,31);1H/t21-;/m1./s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora A (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM50059430
PNG
(CHEMBL3393488)
Show SMILES CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5c(F)cccc5[nH]4)o3)C3=C(CNCC3=O)Nc12
Show InChI InChI=1S/C24H20FN5O4S/c1-2-33-23(32)22-20-11(8-27-22)18(19-14(28-20)9-26-10-15(19)31)16-6-7-17(34-16)35-24-29-13-5-3-4-12(25)21(13)30-24/h3-8,18,26-28H,2,9-10H2,1H3,(H,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 21n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora A (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM50059431
PNG
(CHEMBL3393487)
Show SMILES CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5cccc(Cl)c5[nH]4)o3)C3=C(CNCC3=O)Nc12
Show InChI InChI=1S/C24H20ClN5O4S/c1-2-33-23(32)22-20-11(8-27-22)18(19-14(28-20)9-26-10-15(19)31)16-6-7-17(34-16)35-24-29-13-5-3-4-12(25)21(13)30-24/h3-8,18,26-28H,2,9-10H2,1H3,(H,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 22n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora A (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM50059449
PNG
(CHEMBL3393478)
Show SMILES CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5c(F)c(F)c(F)cc5[nH]4)o3)C3=C(CCCC3=O)Nc12
Show InChI InChI=1S/C25H19F3N4O4S/c1-2-35-24(34)23-21-10(9-29-23)17(18-12(30-21)4-3-5-14(18)33)15-6-7-16(36-15)37-25-31-13-8-11(26)19(27)20(28)22(13)32-25/h6-9,17,29-30H,2-5H2,1H3,(H,31,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 22n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora A (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM50059447
PNG
(CHEMBL3393476)
Show SMILES CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5cc(F)c(F)cc5[nH]4)o3)C3=C(CCCC3=O)Nc12
Show InChI InChI=1S/C25H20F2N4O4S/c1-2-34-24(33)23-22-11(10-28-23)20(21-14(29-22)4-3-5-17(21)32)18-6-7-19(35-18)36-25-30-15-8-12(26)13(27)9-16(15)31-25/h6-10,20,28-29H,2-5H2,1H3,(H,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 22n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora A (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM50059451
PNG
(CHEMBL3393482)
Show SMILES CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5c(O)cccc5[nH]4)o3)C3=C(CCCC3=O)Nc12
Show InChI InChI=1S/C25H22N4O5S/c1-2-33-24(32)23-21-12(11-26-23)19(20-13(27-21)5-3-7-15(20)30)17-9-10-18(34-17)35-25-28-14-6-4-8-16(31)22(14)29-25/h4,6,8-11,19,26-27,31H,2-3,5,7H2,1H3,(H,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 25n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora A (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM50059452
PNG
(CHEMBL3393483)
Show SMILES CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5c(N)cccc5[nH]4)o3)C3=C(CCCC3=O)Nc12
Show InChI InChI=1S/C25H23N5O4S/c1-2-33-24(32)23-21-12(11-27-23)19(20-14(28-21)6-4-8-16(20)31)17-9-10-18(34-17)35-25-29-15-7-3-5-13(26)22(15)30-25/h3,5,7,9-11,19,27-28H,2,4,6,8,26H2,1H3,(H,29,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 25n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora B (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM50059440
PNG
(CHEMBL3393490)
Show SMILES CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5ccccc5[nH]4)o3)C3=C(CN(CC3=O)C(=O)OC(C)(C)C)Nc12
Show InChI InChI=1S/C29H29N5O6S/c1-5-38-26(36)25-24-15(12-30-25)22(23-18(31-24)13-34(14-19(23)35)28(37)40-29(2,3)4)20-10-11-21(39-20)41-27-32-16-8-6-7-9-17(16)33-27/h6-12,22,30-31H,5,13-14H2,1-4H3,(H,32,33)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 26n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora B (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM50059590
PNG
(CHEMBL3393495)
Show SMILES CCOC(=O)c1[nH]cc2C(C3=C(CCCC3=O)Nc12)c1cccc(Sc2nc3ccccc3[nH]2)n1
Show InChI InChI=1S/C26H23N5O3S/c1-2-34-25(33)24-23-14(13-27-24)21(22-18(29-23)9-5-11-19(22)32)17-10-6-12-20(28-17)35-26-30-15-7-3-4-8-16(15)31-26/h3-4,6-8,10,12-13,21,27,29H,2,5,9,11H2,1H3,(H,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 31n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora A (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM50059441
PNG
(CHEMBL3393489)
Show SMILES CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5ccccc5[nH]4)o3)C3=C(CC(C)(C)CC3=O)Nc12
Show InChI InChI=1S/C27H26N4O4S/c1-4-34-25(33)24-23-14(13-28-24)21(22-17(29-23)11-27(2,3)12-18(22)32)19-9-10-20(35-19)36-26-30-15-7-5-6-8-16(15)31-26/h5-10,13,21,28-29H,4,11-12H2,1-3H3,(H,30,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 31n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora B (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM50059594
PNG
(CHEMBL3393481)
Show SMILES CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5cccnc5[nH]4)o3)C3=C(CCCC3=O)Nc12
Show InChI InChI=1S/C24H21N5O4S/c1-2-32-23(31)21-20-12(11-26-21)18(19-13(27-20)5-3-7-15(19)30)16-8-9-17(33-16)34-24-28-14-6-4-10-25-22(14)29-24/h4,6,8-11,18,26-27H,2-3,5,7H2,1H3,(H,25,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 31n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora A (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM50059459
PNG
(CHEMBL3393464)
Show SMILES CCOC(=O)c1[nH]nc2C(c3ccc(Sc4nc5ccccc5[nH]4)o3)C3=C(CCCC3=O)Nc12
Show InChI InChI=1S/C24H21N5O4S/c1-2-32-23(31)22-21-20(28-29-22)19(18-14(25-21)8-5-9-15(18)30)16-10-11-17(33-16)34-24-26-12-6-3-4-7-13(12)27-24/h3-4,6-7,10-11,19,25H,2,5,8-9H2,1H3,(H,26,27)(H,28,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 33n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora B (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM50059595
PNG
(CHEMBL3393480)
Show SMILES CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5cc(Cl)ccc5[nH]4)o3)C3=C(CCCC3=O)Nc12
Show InChI InChI=1S/C25H21ClN4O4S/c1-2-33-24(32)23-22-13(11-27-23)20(21-15(28-22)4-3-5-17(21)31)18-8-9-19(34-18)35-25-29-14-7-6-12(26)10-16(14)30-25/h6-11,20,27-28H,2-5H2,1H3,(H,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 34n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora A (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50059450
PNG
(CHEMBL3393479)
Show SMILES CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5cccc(Cl)c5[nH]4)o3)C3=C(CCCC3=O)Nc12
Show InChI InChI=1S/C25H21ClN4O4S/c1-2-33-24(32)23-21-12(11-27-23)19(20-14(28-21)6-4-8-16(20)31)17-9-10-18(34-17)35-25-29-15-7-3-5-13(26)22(15)30-25/h3,5,7,9-11,19,27-28H,2,4,6,8H2,1H3,(H,29,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 50n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP3A4 co-expressed with human P450 reductase/human b5 reductase using 7-benzyloxyquinoline substrate


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM50059452
PNG
(CHEMBL3393483)
Show SMILES CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5c(N)cccc5[nH]4)o3)C3=C(CCCC3=O)Nc12
Show InChI InChI=1S/C25H23N5O4S/c1-2-33-24(32)23-21-12(11-27-23)19(20-14(28-21)6-4-8-16(20)31)17-9-10-18(34-17)35-25-29-15-7-3-5-13(26)22(15)30-25/h3,5,7,9-11,19,27-28H,2,4,6,8,26H2,1H3,(H,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora A (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora-C


(Homo sapiens (human))
BDBM12985
PNG
(5-Amido-pyrrolopyrazole 9d | CHEMBL402548 | N-{5-[...)
Show SMILES CO[C@@H](C(=O)N1Cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCN(C)CC3)c2C1)c1ccccc1
Show InChI InChI=1S/C26H30N6O3/c1-30-12-14-31(15-13-30)20-10-8-19(9-11-20)25(33)27-24-21-16-32(17-22(21)28-29-24)26(34)23(35-2)18-6-4-3-5-7-18/h3-11,23H,12-17H2,1-2H3,(H2,27,28,29,33)/t23-/m1/s1
NCI pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 61n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of aurora C (unknown origin)


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM50059592
PNG
(CHEMBL3393494)
Show SMILES CCOC(=O)c1[nH]cc2C(C3=C(CCCC3=O)Nc12)c1cccc(Sc2nc3ccccc3[nH]2)c1
Show InChI InChI=1S/C27H24N4O3S/c1-2-34-26(33)25-24-17(14-28-25)22(23-20(29-24)11-6-12-21(23)32)15-7-5-8-16(13-15)35-27-30-18-9-3-4-10-19(18)31-27/h3-5,7-10,13-14,22,28-29H,2,6,11-12H2,1H3,(H,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 70n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora A (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM50059596
PNG
(CHEMBL3393471)
Show SMILES OC(=O)c1[nH]cc2C(c3ccc(Sc4nc5ccccc5[nH]4)o3)C3=C(CCCC3=O)Nc12
Show InChI InChI=1S/C23H18N4O4S/c28-15-7-3-6-14-19(15)18(11-10-24-21(22(29)30)20(11)25-14)16-8-9-17(31-16)32-23-26-12-4-1-2-5-13(12)27-23/h1-2,4-5,8-10,18,24-25H,3,6-7H2,(H,26,27)(H,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 75n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora A (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM12985
PNG
(5-Amido-pyrrolopyrazole 9d | CHEMBL402548 | N-{5-[...)
Show SMILES CO[C@@H](C(=O)N1Cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCN(C)CC3)c2C1)c1ccccc1
Show InChI InChI=1S/C26H30N6O3/c1-30-12-14-31(15-13-30)20-10-8-19(9-11-20)25(33)27-24-21-16-32(17-22(21)28-29-24)26(34)23(35-2)18-6-4-3-5-7-18/h3-11,23H,12-17H2,1-2H3,(H2,27,28,29,33)/t23-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 79n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of aurora B (unknown origin)


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50059452
PNG
(CHEMBL3393483)
Show SMILES CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5c(N)cccc5[nH]4)o3)C3=C(CCCC3=O)Nc12
Show InChI InChI=1S/C25H23N5O4S/c1-2-33-24(32)23-21-12(11-27-23)19(20-14(28-21)6-4-8-16(20)31)17-9-10-18(34-17)35-25-29-15-7-3-5-13(26)22(15)30-25/h3,5,7,9-11,19,27-28H,2,4,6,8,26H2,1H3,(H,29,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 80n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP3A4 co-expressed with human P450 reductase/human b5 reductase using 7-benzyloxyquinoline substrate


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM50059462
PNG
(CHEMBL3393461)
Show SMILES O=C1CNCC2=C1C(c1ccc(Sc3nc4ccccc4[nH]3)o1)c1c[nH]nc1N2
Show InChI InChI=1S/C20H16N6O2S/c27-14-9-21-8-13-18(14)17(10-7-22-26-19(10)23-13)15-5-6-16(28-15)29-20-24-11-3-1-2-4-12(11)25-20/h1-7,17,21H,8-9H2,(H,24,25)(H2,22,23,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 100n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora A (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM50059455
PNG
(CHEMBL3393468)
Show SMILES O=C1CCCC2=C1C(c1ccc(Sc3nc4ccccc4[nH]3)o1)c1c[nH]cc1N2
Show InChI InChI=1S/C22H18N4O2S/c27-17-7-3-6-15-21(17)20(12-10-23-11-16(12)24-15)18-8-9-19(28-18)29-22-25-13-4-1-2-5-14(13)26-22/h1-2,4-5,8-11,20,23-24H,3,6-7H2,(H,25,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 127n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora B (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50059443
PNG
(CHEMBL3393472)
Show SMILES CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5ccccc5[nH]4)o3)C3=C(CNCC3=O)Nc12
Show InChI InChI=1S/C24H21N5O4S.ClH.H2O/c1-2-32-23(31)22-21-12(9-26-22)19(20-15(27-21)10-25-11-16(20)30)17-7-8-18(33-17)34-24-28-13-5-3-4-6-14(13)29-24;;/h3-9,19,25-27H,2,10-11H2,1H3,(H,28,29);1H;1H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 170n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP3A4 co-expressed with human P450 reductase/human b5 reductase using 7-benzyloxyquinoline substrate


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM50059438
PNG
(CHEMBL3393492)
Show SMILES CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5ccccc5[nH]4)s3)C3=C(CCCC3=O)Nc12
Show InChI InChI=1S/C25H22N4O3S2/c1-2-32-24(31)23-22-13(12-26-23)20(21-16(27-22)8-5-9-17(21)30)18-10-11-19(33-18)34-25-28-14-6-3-4-7-15(14)29-25/h3-4,6-7,10-12,20,26-27H,2,5,8-9H2,1H3,(H,28,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 180n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora B (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50059442
PNG
(CHEMBL3393469)
Show SMILES CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5ccccc5[nH]4)o3)C3=C(CCCC3=O)Nc12
Show InChI InChI=1S/C25H22N4O4S/c1-2-32-24(31)23-22-13(12-26-23)20(21-16(27-22)8-5-9-17(21)30)18-10-11-19(33-18)34-25-28-14-6-3-4-7-15(14)29-25/h3-4,6-7,10-12,20,26-27H,2,5,8-9H2,1H3,(H,28,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 190n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP3A4 co-expressed with human P450 reductase/human b5 reductase using 7-benzyloxyquinoline substrate


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM50277545
PNG
(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
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
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a>200n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of aurora B (unknown origin)


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM50059489
PNG
(CHEMBL3393456)
Show SMILES Clc1cc(Cl)cc(Oc2cccc(c2)C2c3c[nH]nc3NC3=C2C(=O)CNC3)c1
Show InChI InChI=1S/C21H16Cl2N4O2/c22-12-5-13(23)7-15(6-12)29-14-3-1-2-11(4-14)19-16-8-25-27-21(16)26-17-9-24-10-18(28)20(17)19/h1-8,19,24H,9-10H2,(H2,25,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 300n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora A (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM50277584
PNG
(CHEMBL482968 | N-(5-methyl-1H-pyrazol-3-yl)-6-(4-m...)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(C=Cc2ccccc2)n1
Show InChI InChI=1S/C21H25N7/c1-16-14-20(26-25-16)23-19-15-21(28-12-10-27(2)11-13-28)24-18(22-19)9-8-17-6-4-3-5-7-17/h3-9,14-15H,10-13H2,1-2H3,(H2,22,23,24,25,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 350n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of aurora B (unknown origin)


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM50059455
PNG
(CHEMBL3393468)
Show SMILES O=C1CCCC2=C1C(c1ccc(Sc3nc4ccccc4[nH]3)o1)c1c[nH]cc1N2
Show InChI InChI=1S/C22H18N4O2S/c27-17-7-3-6-15-21(17)20(12-10-23-11-16(12)24-15)18-8-9-19(28-18)29-22-25-13-4-1-2-5-14(13)26-22/h1-2,4-5,8-11,20,23-24H,3,6-7H2,(H,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 377n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora A (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50059451
PNG
(CHEMBL3393482)
Show SMILES CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5c(O)cccc5[nH]4)o3)C3=C(CCCC3=O)Nc12
Show InChI InChI=1S/C25H22N4O5S/c1-2-33-24(32)23-21-12(11-26-23)19(20-13(27-21)5-3-7-15(20)30)17-9-10-18(34-17)35-25-28-14-6-4-8-16(31)22(14)29-25/h4,6,8-11,19,26-27,31H,2-3,5,7H2,1H3,(H,28,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 490n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP3A4 co-expressed with human P450 reductase/human b5 reductase using 7-benzyloxyquinoline substrate


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM50059442
PNG
(CHEMBL3393469)
Show SMILES CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5ccccc5[nH]4)o3)C3=C(CCCC3=O)Nc12
Show InChI InChI=1S/C25H22N4O4S/c1-2-32-24(31)23-22-13(12-26-23)20(21-16(27-22)8-5-9-17(21)30)18-10-11-19(33-18)34-25-28-14-6-3-4-7-15(14)29-25/h3-4,6-7,10-12,20,26-27H,2,5,8-9H2,1H3,(H,28,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>500n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora B (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50059433
PNG
(CHEMBL3393485)
Show SMILES Cl.CCOC(=O)c1[nH]cc2[C@H](c3ccc(Sc4nc5ccccc5[nH]4)o3)C3=C(CN(CC3=O)C(=O)CN)Nc12
Show InChI InChI=1S/C26H24N6O5S.ClH/c1-2-36-25(35)24-23-13(10-28-24)21(22-16(29-23)11-32(12-17(22)33)19(34)9-27)18-7-8-20(37-18)38-26-30-14-5-3-4-6-15(14)31-26;/h3-8,10,21,28-29H,2,9,11-12,27H2,1H3,(H,30,31);1H/t21-;/m1./s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 500n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP3A4 co-expressed with human P450 reductase/human b5 reductase using 7-benzyloxyquinoline substrate


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM50059460
PNG
(CHEMBL3393463)
Show SMILES O=C1CCCC2=C1C(c1ccc(Sc3nc4ccccc4[nH]3)o1)c1n[nH]cc1N2
Show InChI InChI=1S/C21H17N5O2S/c27-15-7-3-6-13-18(15)19(20-14(23-13)10-22-26-20)16-8-9-17(28-16)29-21-24-11-4-1-2-5-12(11)25-21/h1-2,4-5,8-10,19,23H,3,6-7H2,(H,22,26)(H,24,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 500n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora B (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM50059442
PNG
(CHEMBL3393469)
Show SMILES CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5ccccc5[nH]4)o3)C3=C(CCCC3=O)Nc12
Show InChI InChI=1S/C25H22N4O4S/c1-2-32-24(31)23-22-13(12-26-23)20(21-16(27-22)8-5-9-17(21)30)18-10-11-19(33-18)34-25-28-14-6-3-4-7-15(14)29-25/h3-4,6-7,10-12,20,26-27H,2,5,8-9H2,1H3,(H,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>500n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora A (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM50059463
PNG
(CHEMBL3393460)
Show SMILES Clc1ccc(Oc2cccc(c2)C2c3c[nH]nc3NC3=C2C(=O)CNC3)cc1Cl
Show InChI InChI=1S/C21H16Cl2N4O2/c22-15-5-4-13(7-16(15)23)29-12-3-1-2-11(6-12)19-14-8-25-27-21(14)26-17-9-24-10-18(28)20(17)19/h1-8,19,24H,9-10H2,(H2,25,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 600n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora A (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM50059459
PNG
(CHEMBL3393464)
Show SMILES CCOC(=O)c1[nH]nc2C(c3ccc(Sc4nc5ccccc5[nH]4)o3)C3=C(CCCC3=O)Nc12
Show InChI InChI=1S/C24H21N5O4S/c1-2-32-23(31)22-21-20(28-29-22)19(18-14(25-21)8-5-9-15(18)30)16-10-11-17(33-16)34-24-26-12-6-3-4-7-13(12)27-24/h3-4,6-7,10-11,19,25H,2,5,8-9H2,1H3,(H,26,27)(H,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 706n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora A (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50059446
PNG
(CHEMBL3393475)
Show SMILES CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5c(F)cc(F)cc5[nH]4)o3)C3=C(CCCC3=O)Nc12
Show InChI InChI=1S/C25H20F2N4O4S/c1-2-34-24(33)23-21-12(10-28-23)19(20-14(29-21)4-3-5-16(20)32)17-6-7-18(35-17)36-25-30-15-9-11(26)8-13(27)22(15)31-25/h6-10,19,28-29H,2-5H2,1H3,(H,30,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP3A4 co-expressed with human P450 reductase/human b5 reductase using 7-benzyloxyquinoline substrate


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM50059589
PNG
(CHEMBL3393496)
Show SMILES CCOC(=O)c1[nH]cc2C(C3=C(CCCC3=O)Nc12)c1ccnc(Sc2nc3ccccc3[nH]2)c1
Show InChI InChI=1S/C26H23N5O3S/c1-2-34-25(33)24-23-15(13-28-24)21(22-18(29-23)8-5-9-19(22)32)14-10-11-27-20(12-14)35-26-30-16-6-3-4-7-17(16)31-26/h3-4,6-7,10-13,21,28-29H,2,5,8-9H2,1H3,(H,30,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora B (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM50059438
PNG
(CHEMBL3393492)
Show SMILES CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5ccccc5[nH]4)s3)C3=C(CCCC3=O)Nc12
Show InChI InChI=1S/C25H22N4O3S2/c1-2-32-24(31)23-22-13(12-26-23)20(21-16(27-22)8-5-9-17(21)30)18-10-11-19(33-18)34-25-28-14-6-3-4-7-15(14)29-25/h3-4,6-7,10-12,20,26-27H,2,5,8-9H2,1H3,(H,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.30E+3n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora A (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM50059458
PNG
(CHEMBL3393465)
Show SMILES NC(=O)c1[nH]nc2C(c3ccc(Sc4nc5ccccc5[nH]4)o3)C3=C(CCCC3=O)Nc12
Show InChI InChI=1S/C22H18N6O3S/c23-21(30)20-19-18(27-28-20)17(16-12(24-19)6-3-7-13(16)29)14-8-9-15(31-14)32-22-25-10-4-1-2-5-11(10)26-22/h1-2,4-5,8-9,17,24H,3,6-7H2,(H2,23,30)(H,25,26)(H,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.34E+3n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora A (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM50059465
PNG
(CHEMBL3393458)
Show SMILES Clc1ccc(Oc2cccc(c2)C2c3c[nH]nc3NC3=C2C(=O)CNC3)cc1
Show InChI InChI=1S/C21H17ClN4O2/c22-13-4-6-14(7-5-13)28-15-3-1-2-12(8-15)19-16-9-24-26-21(16)25-17-10-23-11-18(27)20(17)19/h1-9,19,23H,10-11H2,(H2,24,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.74E+3n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora A (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50059445
PNG
(CHEMBL3393474)
Show SMILES CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5cccc(F)c5[nH]4)o3)C3=C(CCCC3=O)Nc12
Show InChI InChI=1S/C25H21FN4O4S/c1-2-33-24(32)23-21-12(11-27-23)19(20-14(28-21)6-4-8-16(20)31)17-9-10-18(34-17)35-25-29-15-7-3-5-13(26)22(15)30-25/h3,5,7,9-11,19,27-28H,2,4,6,8H2,1H3,(H,29,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.50E+3n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP3A4 co-expressed with human P450 reductase/human b5 reductase using 7-benzyloxyquinoline substrate


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM50059466
PNG
(CHEMBL3393457)
Show SMILES O=C1CNCC2=C1C(c1c[nH]nc1N2)c1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C21H18N4O2/c26-18-12-22-11-17-20(18)19(16-10-23-25-21(16)24-17)13-5-4-8-15(9-13)27-14-6-2-1-3-7-14/h1-10,19,22H,11-12H2,(H2,23,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.08E+3n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora A (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM50059589
PNG
(CHEMBL3393496)
Show SMILES CCOC(=O)c1[nH]cc2C(C3=C(CCCC3=O)Nc12)c1ccnc(Sc2nc3ccccc3[nH]2)c1
Show InChI InChI=1S/C26H23N5O3S/c1-2-34-25(33)24-23-15(13-28-24)21(22-18(29-23)8-5-9-19(22)32)14-10-11-27-20(12-14)35-26-30-16-6-3-4-7-17(16)31-26/h3-4,6-7,10-13,21,28-29H,2,5,8-9H2,1H3,(H,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 5.20E+3n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora A (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM50059464
PNG
(CHEMBL3393459)
Show SMILES COc1ccc(Oc2cccc(c2)C2c3c[nH]nc3NC3=C2C(=O)CNC3)cc1
Show InChI InChI=1S/C22H20N4O3/c1-28-14-5-7-15(8-6-14)29-16-4-2-3-13(9-16)20-17-10-24-26-22(17)25-18-11-23-12-19(27)21(18)20/h2-10,20,23H,11-12H2,1H3,(H2,24,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.29E+3n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora A (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50059447
PNG
(CHEMBL3393476)
Show SMILES CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5cc(F)c(F)cc5[nH]4)o3)C3=C(CCCC3=O)Nc12
Show InChI InChI=1S/C25H20F2N4O4S/c1-2-34-24(33)23-22-11(10-28-23)20(21-14(29-22)4-3-5-17(21)32)18-6-7-19(35-18)36-25-30-15-8-12(26)13(27)9-16(15)31-25/h6-10,20,28-29H,2-5H2,1H3,(H,30,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.40E+3n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP3A4 co-expressed with human P450 reductase/human b5 reductase using 7-benzyloxyquinoline substrate


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM50059453
PNG
(CHEMBL3393455)
Show SMILES Fc1ccccc1C1c2c[nH]nc2NC2=C1C(=O)CNC2
Show InChI InChI=1S/C15H13FN4O/c16-10-4-2-1-3-8(10)13-9-5-18-20-15(9)19-11-6-17-7-12(21)14(11)13/h1-5,13,17H,6-7H2,(H2,18,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PDB
Article
PubMed
n/an/a 9.80E+3n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora A (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM50059460
PNG
(CHEMBL3393463)
Show SMILES O=C1CCCC2=C1C(c1ccc(Sc3nc4ccccc4[nH]3)o1)c1n[nH]cc1N2
Show InChI InChI=1S/C21H17N5O2S/c27-15-7-3-6-13-18(15)19(20-14(23-13)10-22-26-20)16-8-9-17(28-16)29-21-24-11-4-1-2-5-12(11)25-21/h1-2,4-5,8-10,19,23H,3,6-7H2,(H,22,26)(H,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora A (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM50059437
PNG
(CHEMBL3393493)
Show SMILES CCOC(=O)c1[nH]cc2C(c3cnc(Sc4nc5ccccc5[nH]4)s3)C3=C(CCCC3=O)Nc12
Show InChI InChI=1S/C24H21N5O3S2/c1-2-32-22(31)21-20-12(10-25-21)18(19-15(27-20)8-5-9-16(19)30)17-11-26-24(33-17)34-23-28-13-6-3-4-7-14(13)29-23/h3-4,6-7,10-11,18,25,27H,2,5,8-9H2,1H3,(H,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora A (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM50059457
PNG
(CHEMBL3393466)
Show SMILES Nc1nc(O)c2C(c3ccc(Sc4nc5ccccc5[nH]4)o3)C3=C(CCCC3=O)Nc2n1
Show InChI InChI=1S/C22H18N6O3S/c23-21-27-19-18(20(30)28-21)17(16-12(24-19)6-3-7-13(16)29)14-8-9-15(31-14)32-22-25-10-4-1-2-5-11(10)26-22/h1-2,4-5,8-9,17H,3,6-7H2,(H,25,26)(H4,23,24,27,28,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora A (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM50059437
PNG
(CHEMBL3393493)
Show SMILES CCOC(=O)c1[nH]cc2C(c3cnc(Sc4nc5ccccc5[nH]4)s3)C3=C(CCCC3=O)Nc12
Show InChI InChI=1S/C24H21N5O3S2/c1-2-32-22(31)21-20-12(10-25-21)18(19-15(27-20)8-5-9-16(19)30)17-11-26-24(33-17)34-23-28-13-6-3-4-7-14(13)29-23/h3-4,6-7,10-11,18,25,27H,2,5,8-9H2,1H3,(H,28,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora B (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM50059457
PNG
(CHEMBL3393466)
Show SMILES Nc1nc(O)c2C(c3ccc(Sc4nc5ccccc5[nH]4)o3)C3=C(CCCC3=O)Nc2n1
Show InChI InChI=1S/C22H18N6O3S/c23-21-27-19-18(20(30)28-21)17(16-12(24-19)6-3-7-13(16)29)14-8-9-15(31-14)32-22-25-10-4-1-2-5-11(10)26-22/h1-2,4-5,8-9,17H,3,6-7H2,(H,25,26)(H4,23,24,27,28,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora B (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50059444
PNG
(CHEMBL3393473)
Show SMILES CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5cc(F)ccc5[nH]4)o3)C3=C(CCCC3=O)Nc12
Show InChI InChI=1S/C25H21FN4O4S/c1-2-33-24(32)23-22-13(11-27-23)20(21-15(28-22)4-3-5-17(21)31)18-8-9-19(34-18)35-25-29-14-7-6-12(26)10-16(14)30-25/h6-11,20,27-28H,2-5H2,1H3,(H,29,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.20E+4n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP3A4 co-expressed with human P450 reductase/human b5 reductase using 7-benzyloxyquinoline substrate


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50059453
PNG
(CHEMBL3393455)
Show SMILES Fc1ccccc1C1c2c[nH]nc2NC2=C1C(=O)CNC2
Show InChI InChI=1S/C15H13FN4O/c16-10-4-2-1-3-8(10)13-9-5-18-20-15(9)19-11-6-17-7-12(21)14(11)13/h1-5,13,17H,6-7H2,(H2,18,19,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of IGF1R (unknown origin)


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50059453
PNG
(CHEMBL3393455)
Show SMILES Fc1ccccc1C1c2c[nH]nc2NC2=C1C(=O)CNC2
Show InChI InChI=1S/C15H13FN4O/c16-10-4-2-1-3-8(10)13-9-5-18-20-15(9)19-11-6-17-7-12(21)14(11)13/h1-5,13,17H,6-7H2,(H2,18,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin)


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (human))
BDBM50059453
PNG
(CHEMBL3393455)
Show SMILES Fc1ccccc1C1c2c[nH]nc2NC2=C1C(=O)CNC2
Show InChI InChI=1S/C15H13FN4O/c16-10-4-2-1-3-8(10)13-9-5-18-20-15(9)19-11-6-17-7-12(21)14(11)13/h1-5,13,17H,6-7H2,(H2,18,19,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of TIE-2 (unknown origin)


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50059453
PNG
(CHEMBL3393455)
Show SMILES Fc1ccccc1C1c2c[nH]nc2NC2=C1C(=O)CNC2
Show InChI InChI=1S/C15H13FN4O/c16-10-4-2-1-3-8(10)13-9-5-18-20-15(9)19-11-6-17-7-12(21)14(11)13/h1-5,13,17H,6-7H2,(H2,18,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of p-38 kinase (unknown origin)


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50059449
PNG
(CHEMBL3393478)
Show SMILES CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5c(F)c(F)c(F)cc5[nH]4)o3)C3=C(CCCC3=O)Nc12
Show InChI InChI=1S/C25H19F3N4O4S/c1-2-35-24(34)23-21-10(9-29-23)17(18-12(30-21)4-3-5-14(18)33)15-6-7-16(36-15)37-25-31-13-8-11(26)19(27)20(28)22(13)32-25/h6-9,17,29-30H,2-5H2,1H3,(H,31,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.30E+4n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP3A4 co-expressed with human P450 reductase/human b5 reductase using 7-benzyloxyquinoline substrate


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50059448
PNG
(CHEMBL3393477)
Show SMILES CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5ccc(F)c(F)c5[nH]4)o3)C3=C(CCCC3=O)Nc12
Show InChI InChI=1S/C25H20F2N4O4S/c1-2-34-24(33)23-21-11(10-28-23)18(19-13(29-21)4-3-5-15(19)32)16-8-9-17(35-16)36-25-30-14-7-6-12(26)20(27)22(14)31-25/h6-10,18,28-29H,2-5H2,1H3,(H,30,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.40E+4n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP3A4 co-expressed with human P450 reductase/human b5 reductase using 7-benzyloxyquinoline substrate


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%