new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with all data for entry = 2974   
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
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM26514
PNG
(4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
Show InChI InChI=1S/C27H37N7O2/c1-4-22-26(36)33(3)23-17-28-27(31-24(23)34(22)21-7-5-6-8-21)30-19-11-9-18(10-12-19)25(35)29-20-13-15-32(2)16-14-20/h9-12,17,20-22H,4-8,13-16H2,1-3H3,(H,29,35)(H,28,30,31)/t22-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5n/an/an/an/a7.522



Pfizer



Assay Description
Percent inhibition and IC50 values were determined with ATP concentrations at apparent Km using the Invitrogen SelectScreen Kinase Profiling Service ...


Chem Biol Drug Des 70: 540-6 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00594.x
BindingDB Entry DOI: 10.7270/Q2T151Z8
More data for this
Ligand-Target Pair
Polo-Like Kinase 3


(Homo sapiens (Human))
BDBM26514
PNG
(4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
Show InChI InChI=1S/C27H37N7O2/c1-4-22-26(36)33(3)23-17-28-27(31-24(23)34(22)21-7-5-6-8-21)30-19-11-9-18(10-12-19)25(35)29-20-13-15-32(2)16-14-20/h9-12,17,20-22H,4-8,13-16H2,1-3H3,(H,29,35)(H,28,30,31)/t22-/m1/s1
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.70n/an/an/an/a7.522



Pfizer



Assay Description
Percent inhibition and IC50 values were determined with ATP concentrations at apparent Km using the Invitrogen SelectScreen Kinase Profiling Service ...


Chem Biol Drug Des 70: 540-6 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00594.x
BindingDB Entry DOI: 10.7270/Q2T151Z8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM25121
PNG
(4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
Show InChI InChI=1S/C28H39N7O3/c1-5-22-27(37)34(3)23-17-29-28(32-25(23)35(22)20-8-6-7-9-20)31-21-11-10-18(16-24(21)38-4)26(36)30-19-12-14-33(2)15-13-19/h10-11,16-17,19-20,22H,5-9,12-15H2,1-4H3,(H,30,36)(H,29,31,32)/t22-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PDB
Article
PubMed
n/an/a 8n/an/an/an/a7.522



Pfizer



Assay Description
Percent inhibition and IC50 values were determined with ATP concentrations at apparent Km using the Invitrogen SelectScreen Kinase Profiling Service ...


Chem Biol Drug Des 70: 540-6 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00594.x
BindingDB Entry DOI: 10.7270/Q2T151Z8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM26514
PNG
(4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
Show InChI InChI=1S/C27H37N7O2/c1-4-22-26(36)33(3)23-17-28-27(31-24(23)34(22)21-7-5-6-8-21)30-19-11-9-18(10-12-19)25(35)29-20-13-15-32(2)16-14-20/h9-12,17,20-22H,4-8,13-16H2,1-3H3,(H,29,35)(H,28,30,31)/t22-/m1/s1
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 11.5n/an/an/an/a7.522



Pfizer



Assay Description
Percent inhibition and IC50 values were determined with ATP concentrations at apparent Km using the Invitrogen SelectScreen Kinase Profiling Service ...


Chem Biol Drug Des 70: 540-6 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00594.x
BindingDB Entry DOI: 10.7270/Q2T151Z8
More data for this
Ligand-Target Pair
Polo-Like Kinase 3


(Homo sapiens (Human))
BDBM25121
PNG
(4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
Show InChI InChI=1S/C28H39N7O3/c1-5-22-27(37)34(3)23-17-29-28(32-25(23)35(22)20-8-6-7-9-20)31-21-11-10-18(16-24(21)38-4)26(36)30-19-12-14-33(2)15-13-19/h10-11,16-17,19-20,22H,5-9,12-15H2,1-4H3,(H,30,36)(H,29,31,32)/t22-/m1/s1
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/a 13.6n/an/an/an/a7.522



Pfizer



Assay Description
Percent inhibition and IC50 values were determined with ATP concentrations at apparent Km using the Invitrogen SelectScreen Kinase Profiling Service ...


Chem Biol Drug Des 70: 540-6 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00594.x
BindingDB Entry DOI: 10.7270/Q2T151Z8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM25121
PNG
(4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
Show InChI InChI=1S/C28H39N7O3/c1-5-22-27(37)34(3)23-17-29-28(32-25(23)35(22)20-8-6-7-9-20)31-21-11-10-18(16-24(21)38-4)26(36)30-19-12-14-33(2)15-13-19/h10-11,16-17,19-20,22H,5-9,12-15H2,1-4H3,(H,30,36)(H,29,31,32)/t22-/m1/s1
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/a 16.8n/an/an/an/a7.522



Pfizer



Assay Description
Percent inhibition and IC50 values were determined with ATP concentrations at apparent Km using the Invitrogen SelectScreen Kinase Profiling Service ...


Chem Biol Drug Des 70: 540-6 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00594.x
BindingDB Entry DOI: 10.7270/Q2T151Z8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM26515
PNG
(1-[4-(cyclopentylamino)-2-{[2-methoxy-4-(4-methylp...)
Show SMILES COc1cc(ccc1Nc1ncc(C(C)=O)c(NC2CCCC2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C23H32N6O2/c1-16(30)19-15-24-23(27-22(19)25-17-6-4-5-7-17)26-20-9-8-18(14-21(20)31-3)29-12-10-28(2)11-13-29/h8-9,14-15,17H,4-7,10-13H2,1-3H3,(H2,24,25,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 145n/an/an/an/a7.522



Pfizer



Assay Description
Percent inhibition and IC50 values were determined with ATP concentrations at apparent Km using the Invitrogen SelectScreen Kinase Profiling Service ...


Chem Biol Drug Des 70: 540-6 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00594.x
BindingDB Entry DOI: 10.7270/Q2T151Z8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM26516
PNG
(1-[4-(cyclopentylamino)-2-{[4-(4-methylpiperazin-1...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(C(C)=O)c(NC3CCCC3)n2)cc1
Show InChI InChI=1S/C22H30N6O/c1-16(29)20-15-23-22(26-21(20)24-17-5-3-4-6-17)25-18-7-9-19(10-8-18)28-13-11-27(2)12-14-28/h7-10,15,17H,3-6,11-14H2,1-2H3,(H2,23,24,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 345n/an/an/an/a7.522



Pfizer



Assay Description
Percent inhibition and IC50 values were determined with ATP concentrations at apparent Km using the Invitrogen SelectScreen Kinase Profiling Service ...


Chem Biol Drug Des 70: 540-6 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00594.x
BindingDB Entry DOI: 10.7270/Q2T151Z8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM26516
PNG
(1-[4-(cyclopentylamino)-2-{[4-(4-methylpiperazin-1...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(C(C)=O)c(NC3CCCC3)n2)cc1
Show InChI InChI=1S/C22H30N6O/c1-16(29)20-15-23-22(26-21(20)24-17-5-3-4-6-17)25-18-7-9-19(10-8-18)28-13-11-27(2)12-14-28/h7-10,15,17H,3-6,11-14H2,1-2H3,(H2,23,24,25,26)
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 367n/an/an/an/a7.522



Pfizer



Assay Description
Percent inhibition and IC50 values were determined with ATP concentrations at apparent Km using the Invitrogen SelectScreen Kinase Profiling Service ...


Chem Biol Drug Des 70: 540-6 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00594.x
BindingDB Entry DOI: 10.7270/Q2T151Z8
More data for this
Ligand-Target Pair
Polo-Like Kinase 3


(Homo sapiens (Human))
BDBM26515
PNG
(1-[4-(cyclopentylamino)-2-{[2-methoxy-4-(4-methylp...)
Show SMILES COc1cc(ccc1Nc1ncc(C(C)=O)c(NC2CCCC2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C23H32N6O2/c1-16(30)19-15-24-23(27-22(19)25-17-6-4-5-7-17)26-20-9-8-18(14-21(20)31-3)29-12-10-28(2)11-13-29/h8-9,14-15,17H,4-7,10-13H2,1-3H3,(H2,24,25,26,27)
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.58E+3n/an/an/an/a7.522



Pfizer



Assay Description
Percent inhibition and IC50 values were determined with ATP concentrations at apparent Km using the Invitrogen SelectScreen Kinase Profiling Service ...


Chem Biol Drug Des 70: 540-6 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00594.x
BindingDB Entry DOI: 10.7270/Q2T151Z8
More data for this
Ligand-Target Pair
Polo-Like Kinase 3


(Homo sapiens (Human))
BDBM26516
PNG
(1-[4-(cyclopentylamino)-2-{[4-(4-methylpiperazin-1...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(C(C)=O)c(NC3CCCC3)n2)cc1
Show InChI InChI=1S/C22H30N6O/c1-16(29)20-15-23-22(26-21(20)24-17-5-3-4-6-17)25-18-7-9-19(10-8-18)28-13-11-27(2)12-14-28/h7-10,15,17H,3-6,11-14H2,1-2H3,(H2,23,24,25,26)
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.49E+3n/an/an/an/a7.522



Pfizer



Assay Description
Percent inhibition and IC50 values were determined with ATP concentrations at apparent Km using the Invitrogen SelectScreen Kinase Profiling Service ...


Chem Biol Drug Des 70: 540-6 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00594.x
BindingDB Entry DOI: 10.7270/Q2T151Z8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM26515
PNG
(1-[4-(cyclopentylamino)-2-{[2-methoxy-4-(4-methylp...)
Show SMILES COc1cc(ccc1Nc1ncc(C(C)=O)c(NC2CCCC2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C23H32N6O2/c1-16(30)19-15-24-23(27-22(19)25-17-6-4-5-7-17)26-20-9-8-18(14-21(20)31-3)29-12-10-28(2)11-13-29/h8-9,14-15,17H,4-7,10-13H2,1-3H3,(H2,24,25,26,27)
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/a7.522



Pfizer



Assay Description
Percent inhibition and IC50 values were determined with ATP concentrations at apparent Km using the Invitrogen SelectScreen Kinase Profiling Service ...


Chem Biol Drug Des 70: 540-6 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00594.x
BindingDB Entry DOI: 10.7270/Q2T151Z8
More data for this
Ligand-Target Pair