BindingDB logo
myBDB logout

PubMed code 27335255

Compile data set for download or QSAR
Found 33 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
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50183019
PNG
(CHEMBL3819210)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NCC3CCOCC3)nc(Oc3ccccc3)nc12
Show InChI InChI=1S/C28H30N6O3/c1-18-15-20(7-10-23(18)26(35)31-21-8-9-21)24-17-30-34-25(24)32-28(37-22-5-3-2-4-6-22)33-27(34)29-16-19-11-13-36-14-12-19/h2-7,10,15,17,19,21H,8-9,11-14,16H2,1H3,(H,31,35)(H,29,32,33)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents

PubMed
0.770n/an/an/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of TTK (unknown origin) by double reciprocal plot analysis in presence of ATP


Bioorg Med Chem Lett 26: 3562-6 (2016)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50183021
PNG
(CHEMBL3818646)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NCC3CCOCC3)nc(Oc3cccc(F)c3F)nc12
Show InChI InChI=1S/C28H28F2N6O3/c1-16-13-18(5-8-20(16)26(37)33-19-6-7-19)21-15-32-36-25(21)34-28(39-23-4-2-3-22(29)24(23)30)35-27(36)31-14-17-9-11-38-12-10-17/h2-5,8,13,15,17,19H,6-7,9-12,14H2,1H3,(H,33,37)(H,31,34,35)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 0.400n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of TTK (unknown origin)


Bioorg Med Chem Lett 26: 3562-6 (2016)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50183022
PNG
(CHEMBL3819019)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NCC3CCOCC3)nc(Nc3cccc(F)c3)nc12
Show InChI InChI=1S/C28H30FN7O2/c1-17-13-19(5-8-23(17)26(37)32-21-6-7-21)24-16-31-36-25(24)34-27(33-22-4-2-3-20(29)14-22)35-28(36)30-15-18-9-11-38-12-10-18/h2-5,8,13-14,16,18,21H,6-7,9-12,15H2,1H3,(H,32,37)(H2,30,33,34,35)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents

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



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of TTK (unknown origin)


Bioorg Med Chem Lett 26: 3562-6 (2016)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50183023
PNG
(CHEMBL3819328)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NCC3CCOCC3)nc(Nc3ccccc3F)nc12
Show InChI InChI=1S/C28H30FN7O2/c1-17-14-19(6-9-21(17)26(37)32-20-7-8-20)22-16-31-36-25(22)34-27(33-24-5-3-2-4-23(24)29)35-28(36)30-15-18-10-12-38-13-11-18/h2-6,9,14,16,18,20H,7-8,10-13,15H2,1H3,(H,32,37)(H2,30,33,34,35)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 0.940n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of TTK (unknown origin)


Bioorg Med Chem Lett 26: 3562-6 (2016)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50081539
PNG
(CHEMBL3422104)
Show SMILES CC(C)CNc1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)-c1cccc2ncccc12
Show InChI InChI=1S/C29H28N6O/c1-18(2)15-31-27-28-32-16-26(19-8-10-20(11-9-19)29(36)33-21-12-13-21)35(28)17-25(34-27)23-5-3-7-24-22(23)6-4-14-30-24/h3-11,14,16-18,21H,12-13,15H2,1-2H3,(H,31,34)(H,33,36)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PubMed
n/an/a 1n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal GST-tagged TTK using biotinylated PWDPDDADITEILG as substrate preincubated for 15 mins followe...


Bioorg Med Chem Lett 26: 3562-6 (2016)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50183019
PNG
(CHEMBL3819210)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NCC3CCOCC3)nc(Oc3ccccc3)nc12
Show InChI InChI=1S/C28H30N6O3/c1-18-15-20(7-10-23(18)26(35)31-21-8-9-21)24-17-30-34-25(24)32-28(37-22-5-3-2-4-6-22)33-27(34)29-16-19-11-13-36-14-12-19/h2-7,10,15,17,19,21H,8-9,11-14,16H2,1H3,(H,31,35)(H,29,32,33)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents

PubMed
n/an/a 1.40n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of TTK (unknown origin)


Bioorg Med Chem Lett 26: 3562-6 (2016)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50183036
PNG
(CHEMBL3818403)
Show SMILES Clc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NCC3CCOCC3)nc(Oc3ccccc3)nc12
Show InChI InChI=1S/C27H27ClN6O3/c28-23-14-18(6-9-21(23)25(35)31-19-7-8-19)22-16-30-34-24(22)32-27(37-20-4-2-1-3-5-20)33-26(34)29-15-17-10-12-36-13-11-17/h1-6,9,14,16-17,19H,7-8,10-13,15H2,(H,31,35)(H,29,32,33)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 1.70n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of TTK (unknown origin)


Bioorg Med Chem Lett 26: 3562-6 (2016)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50183041
PNG
(CHEMBL3819003)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NCCN3CCOCC3)nc(Oc3cccc(F)c3F)nc12
Show InChI InChI=1S/C28H29F2N7O3/c1-17-15-18(5-8-20(17)26(38)33-19-6-7-19)21-16-32-37-25(21)34-28(40-23-4-2-3-22(29)24(23)30)35-27(37)31-9-10-36-11-13-39-14-12-36/h2-5,8,15-16,19H,6-7,9-14H2,1H3,(H,33,38)(H,31,34,35)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents

PubMed
n/an/a 2.20n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of TTK (unknown origin)


Bioorg Med Chem Lett 26: 3562-6 (2016)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50183025
PNG
(CHEMBL3818533)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NCC3CCOCC3)nc(OC3CCCC3)nc12
Show InChI InChI=1S/C27H34N6O3/c1-17-14-19(6-9-22(17)25(34)30-20-7-8-20)23-16-29-33-24(23)31-27(36-21-4-2-3-5-21)32-26(33)28-15-18-10-12-35-13-11-18/h6,9,14,16,18,20-21H,2-5,7-8,10-13,15H2,1H3,(H,30,34)(H,28,31,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 2.30n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of TTK (unknown origin)


Bioorg Med Chem Lett 26: 3562-6 (2016)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50183027
PNG
(CHEMBL3817905)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NCC3CCOCC3)nc(NC3CCCCC3)nc12
Show InChI InChI=1S/C28H37N7O2/c1-18-15-20(7-10-23(18)26(36)31-22-8-9-22)24-17-30-35-25(24)33-27(32-21-5-3-2-4-6-21)34-28(35)29-16-19-11-13-37-14-12-19/h7,10,15,17,19,21-22H,2-6,8-9,11-14,16H2,1H3,(H,31,36)(H2,29,32,33,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 2.60n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of TTK (unknown origin)


Bioorg Med Chem Lett 26: 3562-6 (2016)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50183024
PNG
(CHEMBL3819182)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnc2c(NCC3CCOCC3)cc(NC3CCCC3)nn12
Show InChI InChI=1S/C28H36N6O2/c1-18-14-20(6-9-23(18)28(35)32-22-7-8-22)25-17-30-27-24(29-16-19-10-12-36-13-11-19)15-26(33-34(25)27)31-21-4-2-3-5-21/h6,9,14-15,17,19,21-22,29H,2-5,7-8,10-13,16H2,1H3,(H,31,33)(H,32,35)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 2.80n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal GST-tagged TTK using biotinylated PWDPDDADITEILG as substrate preincubated for 15 mins followe...


Bioorg Med Chem Lett 26: 3562-6 (2016)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50183035
PNG
(CHEMBL3818766)
Show SMILES O=C(NC1CC1)c1ccc(cc1)-c1cnn2c(NCC3CCOCC3)nc(Oc3ccccc3)nc12
Show InChI InChI=1S/C27H28N6O3/c34-25(30-21-10-11-21)20-8-6-19(7-9-20)23-17-29-33-24(23)31-27(36-22-4-2-1-3-5-22)32-26(33)28-16-18-12-14-35-15-13-18/h1-9,17-18,21H,10-16H2,(H,30,34)(H,28,31,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents

PubMed
n/an/a 4.90n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of TTK (unknown origin)


Bioorg Med Chem Lett 26: 3562-6 (2016)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50183020
PNG
(CHEMBL3819637)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NCC3CCOCC3)nc(NC3CCCC3)nc12
Show InChI InChI=1S/C27H35N7O2/c1-17-14-19(6-9-22(17)25(35)30-21-7-8-21)23-16-29-34-24(23)32-26(31-20-4-2-3-5-20)33-27(34)28-15-18-10-12-36-13-11-18/h6,9,14,16,18,20-21H,2-5,7-8,10-13,15H2,1H3,(H,30,35)(H2,28,31,32,33)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 5.80n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of TTK (unknown origin)


Bioorg Med Chem Lett 26: 3562-6 (2016)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50183034
PNG
(CHEMBL3819164)
Show SMILES Fc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NCC3CCOCC3)nc(NC3CCCC3)nc12
Show InChI InChI=1S/C26H32FN7O2/c27-22-13-17(5-8-20(22)24(35)30-19-6-7-19)21-15-29-34-23(21)32-25(31-18-3-1-2-4-18)33-26(34)28-14-16-9-11-36-12-10-16/h5,8,13,15-16,18-19H,1-4,6-7,9-12,14H2,(H,30,35)(H2,28,31,32,33)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 7n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of TTK (unknown origin)


Bioorg Med Chem Lett 26: 3562-6 (2016)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50183038
PNG
(CHEMBL3817949)
Show SMILES CC(=O)Nc1cccc(Oc2nc(NCC3CCOCC3)n3ncc(-c4ccc(C(=O)NC5CC5)c(C)c4)c3n2)c1
Show InChI InChI=1S/C30H33N7O4/c1-18-14-21(6-9-25(18)28(39)34-22-7-8-22)26-17-32-37-27(26)35-30(36-29(37)31-16-20-10-12-40-13-11-20)41-24-5-3-4-23(15-24)33-19(2)38/h3-6,9,14-15,17,20,22H,7-8,10-13,16H2,1-2H3,(H,33,38)(H,34,39)(H,31,35,36)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 8.40n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of TTK (unknown origin)


Bioorg Med Chem Lett 26: 3562-6 (2016)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50183026
PNG
(CHEMBL3818733)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NCC3CCOCC3)nc(NC3CCOCC3)nc12
Show InChI InChI=1S/C27H35N7O3/c1-17-14-19(2-5-22(17)25(35)30-20-3-4-20)23-16-29-34-24(23)32-26(31-21-8-12-37-13-9-21)33-27(34)28-15-18-6-10-36-11-7-18/h2,5,14,16,18,20-21H,3-4,6-13,15H2,1H3,(H,30,35)(H2,28,31,32,33)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 9n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of TTK (unknown origin)


Bioorg Med Chem Lett 26: 3562-6 (2016)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50183033
PNG
(CHEMBL3818914)
Show SMILES O=C(NC1CC1)c1ccc(cc1)-c1cnn2c(NCC3CCOCC3)nc(NC3CCCC3)nc12
Show InChI InChI=1S/C26H33N7O2/c34-24(29-21-9-10-21)19-7-5-18(6-8-19)22-16-28-33-23(22)31-25(30-20-3-1-2-4-20)32-26(33)27-15-17-11-13-35-14-12-17/h5-8,16-17,20-21H,1-4,9-15H2,(H,29,34)(H2,27,30,31,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 10n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of TTK (unknown origin)


Bioorg Med Chem Lett 26: 3562-6 (2016)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50183037
PNG
(CHEMBL3819318)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NCC3CCOCC3)nc(Nc3ccccc3)nc12
Show InChI InChI=1S/C28H31N7O2/c1-18-15-20(7-10-23(18)26(36)31-22-8-9-22)24-17-30-35-25(24)33-27(32-21-5-3-2-4-6-21)34-28(35)29-16-19-11-13-37-14-12-19/h2-7,10,15,17,19,22H,8-9,11-14,16H2,1H3,(H,31,36)(H2,29,32,33,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 11n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of TTK (unknown origin)


Bioorg Med Chem Lett 26: 3562-6 (2016)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50183039
PNG
(CHEMBL3819612)
Show SMILES COCCNc1nc(Oc2ccccc2)nc2c(cnn12)-c1ccc(cc1)C(=O)NC1CC1
Show InChI InChI=1S/C24H24N6O3/c1-32-14-13-25-23-29-24(33-19-5-3-2-4-6-19)28-21-20(15-26-30(21)23)16-7-9-17(10-8-16)22(31)27-18-11-12-18/h2-10,15,18H,11-14H2,1H3,(H,27,31)(H,25,28,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 14n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of TTK (unknown origin)


Bioorg Med Chem Lett 26: 3562-6 (2016)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50183028
PNG
(CHEMBL3817922)
Show SMILES CN(C1CCCCC1)c1nc(NCC2CCOCC2)n2ncc(-c3ccc(C(=O)NC4CC4)c(F)c3)c2n1
Show InChI InChI=1S/C28H36FN7O2/c1-35(21-5-3-2-4-6-21)28-33-25-23(19-7-10-22(24(29)15-19)26(37)32-20-8-9-20)17-31-36(25)27(34-28)30-16-18-11-13-38-14-12-18/h7,10,15,17-18,20-21H,2-6,8-9,11-14,16H2,1H3,(H,32,37)(H,30,33,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 15n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of TTK (unknown origin)


Bioorg Med Chem Lett 26: 3562-6 (2016)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50183040
PNG
(CHEMBL3817849)
Show SMILES O=C(NC1CC1)c1ccc(cc1)-c1cnn2c(NCCN3CCOCC3)nc(Oc3ccccc3)nc12
Show InChI InChI=1S/C27H29N7O3/c35-25(30-21-10-11-21)20-8-6-19(7-9-20)23-18-29-34-24(23)31-27(37-22-4-2-1-3-5-22)32-26(34)28-12-13-33-14-16-36-17-15-33/h1-9,18,21H,10-17H2,(H,30,35)(H,28,31,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 24n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of TTK (unknown origin)


Bioorg Med Chem Lett 26: 3562-6 (2016)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50183029
PNG
(CHEMBL3818025)
Show SMILES Clc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NCC3CCOCC3)nc(NC3CCOCC3)nc12
Show InChI InChI=1S/C26H32ClN7O3/c27-22-13-17(1-4-20(22)24(35)30-18-2-3-18)21-15-29-34-23(21)32-25(31-19-7-11-37-12-8-19)33-26(34)28-14-16-5-9-36-10-6-16/h1,4,13,15-16,18-19H,2-3,5-12,14H2,(H,30,35)(H2,28,31,32,33)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 32n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of TTK (unknown origin)


Bioorg Med Chem Lett 26: 3562-6 (2016)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50183031
PNG
(CHEMBL3818485)
Show SMILES CC(C)NC(=O)c1ccc(cc1)-c1cnn2c(NCC3CCOCC3)nc(OC3CCCC3)nc12
Show InChI InChI=1S/C26H34N6O3/c1-17(2)29-24(33)20-9-7-19(8-10-20)22-16-28-32-23(22)30-26(35-21-5-3-4-6-21)31-25(32)27-15-18-11-13-34-14-12-18/h7-10,16-18,21H,3-6,11-15H2,1-2H3,(H,29,33)(H,27,30,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 230n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of TTK (unknown origin)


Bioorg Med Chem Lett 26: 3562-6 (2016)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50183022
PNG
(CHEMBL3819019)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NCC3CCOCC3)nc(Nc3cccc(F)c3)nc12
Show InChI InChI=1S/C28H30FN7O2/c1-17-13-19(5-8-23(17)26(37)32-21-6-7-21)24-16-31-36-25(24)34-27(33-22-4-2-3-20(29)14-22)35-28(36)30-15-18-9-11-38-12-10-18/h2-5,8,13-14,16,18,21H,6-7,9-12,15H2,1H3,(H,32,37)(H2,30,33,34,35)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

PubMed
n/an/a 470n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


Bioorg Med Chem Lett 26: 3562-6 (2016)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50183019
PNG
(CHEMBL3819210)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NCC3CCOCC3)nc(Oc3ccccc3)nc12
Show InChI InChI=1S/C28H30N6O3/c1-18-15-20(7-10-23(18)26(35)31-21-8-9-21)24-17-30-34-25(24)32-28(37-22-5-3-2-4-6-22)33-27(34)29-16-19-11-13-36-14-12-19/h2-7,10,15,17,19,21H,8-9,11-14,16H2,1H3,(H,31,35)(H,29,32,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

PubMed
n/an/a 800n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


Bioorg Med Chem Lett 26: 3562-6 (2016)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50183030
PNG
(CHEMBL3818271)
Show SMILES CC(C)C(=O)Nc1ccc(cc1)-c1cnn2c(NCC3CCOCC3)nc(OC3CCCC3)nc12
Show InChI InChI=1S/C26H34N6O3/c1-17(2)24(33)29-20-9-7-19(8-10-20)22-16-28-32-23(22)30-26(35-21-5-3-4-6-21)31-25(32)27-15-18-11-13-34-14-12-18/h7-10,16-18,21H,3-6,11-15H2,1-2H3,(H,29,33)(H,27,30,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of TTK (unknown origin)


Bioorg Med Chem Lett 26: 3562-6 (2016)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50183032
PNG
(CHEMBL3819411)
Show SMILES Cc1cc(ccc1NC(=O)C1CC1)-c1cnn2c(NCC3CCOCC3)nc(NC3CCCC3)nc12
Show InChI InChI=1S/C27H35N7O2/c1-17-14-20(8-9-23(17)31-25(35)19-6-7-19)22-16-29-34-24(22)32-26(30-21-4-2-3-5-21)33-27(34)28-15-18-10-12-36-13-11-18/h8-9,14,16,18-19,21H,2-7,10-13,15H2,1H3,(H,31,35)(H2,28,30,32,33)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of TTK (unknown origin)


Bioorg Med Chem Lett 26: 3562-6 (2016)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50183023
PNG
(CHEMBL3819328)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NCC3CCOCC3)nc(Nc3ccccc3F)nc12
Show InChI InChI=1S/C28H30FN7O2/c1-17-14-19(6-9-21(17)26(37)32-20-7-8-20)22-16-31-36-25(22)34-27(33-24-5-3-2-4-23(24)29)35-28(36)30-15-18-10-12-38-13-11-18/h2-6,9,14,16,18,20H,7-8,10-13,15H2,1H3,(H,32,37)(H2,30,33,34,35)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 9.30E+3n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


Bioorg Med Chem Lett 26: 3562-6 (2016)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50183020
PNG
(CHEMBL3819637)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NCC3CCOCC3)nc(NC3CCCC3)nc12
Show InChI InChI=1S/C27H35N7O2/c1-17-14-19(6-9-22(17)25(35)30-21-7-8-21)23-16-29-34-24(23)32-26(31-20-4-2-3-5-20)33-27(34)28-15-18-10-12-36-13-11-18/h6,9,14,16,18,20-21H,2-5,7-8,10-13,15H2,1H3,(H,30,35)(H2,28,31,32,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 1.90E+4n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


Bioorg Med Chem Lett 26: 3562-6 (2016)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50183021
PNG
(CHEMBL3818646)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NCC3CCOCC3)nc(Oc3cccc(F)c3F)nc12
Show InChI InChI=1S/C28H28F2N6O3/c1-16-13-18(5-8-20(16)26(37)33-19-6-7-19)21-15-32-36-25(21)34-28(39-23-4-2-3-22(29)24(23)30)35-27(36)31-14-17-9-11-38-12-10-17/h2-5,8,13,15,17,19H,6-7,9-12,14H2,1H3,(H,33,37)(H,31,34,35)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


Bioorg Med Chem Lett 26: 3562-6 (2016)

More data for this
Ligand-Target Pair
Aurora B/Incenp


(Homo sapiens (Human))
BDBM50183019
PNG
(CHEMBL3819210)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NCC3CCOCC3)nc(Oc3ccccc3)nc12
Show InChI InChI=1S/C28H30N6O3/c1-18-15-20(7-10-23(18)26(35)31-21-8-9-21)24-17-30-34-25(24)32-28(37-22-5-3-2-4-6-22)33-27(34)29-16-19-11-13-36-14-12-19/h2-7,10,15,17,19,21H,8-9,11-14,16H2,1H3,(H,31,35)(H,29,32,33)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged Aurora B/full length recombinant human N-terminal GST-tagged INCENP (821-end residues) expressed in baculo...


Bioorg Med Chem Lett 26: 3562-6 (2016)

More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50183019
PNG
(CHEMBL3819210)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NCC3CCOCC3)nc(Oc3ccccc3)nc12
Show InChI InChI=1S/C28H30N6O3/c1-18-15-20(7-10-23(18)26(35)31-21-8-9-21)24-17-30-34-25(24)32-28(37-22-5-3-2-4-6-22)33-27(34)29-16-19-11-13-36-14-12-19/h2-7,10,15,17,19,21H,8-9,11-14,16H2,1H3,(H,31,35)(H,29,32,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal His6-tagged Aurora A expressed in Sf21 cells by radiometric assay


Bioorg Med Chem Lett 26: 3562-6 (2016)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50183019
PNG
(CHEMBL3819210)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NCC3CCOCC3)nc(Oc3ccccc3)nc12
Show InChI InChI=1S/C28H30N6O3/c1-18-15-20(7-10-23(18)26(35)31-21-8-9-21)24-17-30-34-25(24)32-28(37-22-5-3-2-4-6-22)33-27(34)29-16-19-11-13-36-14-12-19/h2-7,10,15,17,19,21H,8-9,11-14,16H2,1H3,(H,31,35)(H,29,32,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PLK4 by radiometric assay


Bioorg Med Chem Lett 26: 3562-6 (2016)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%