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12 similar compounds to monomer 25121

Wt: 491.6
BDBM26514
Wt: 597.7
BDBM67695
Wt: 537.6
BDBM67696
Wt: 521.6
BDBM89460
Wt: 543.6
BDBM89462
Wt: 521.6
BDBM89463
Wt: 618.8
BDBM50402023
Purchase
Wt: 547.6
BDBM50435731
Wt: 547.6
BDBM50435732
Wt: 553.6
BDBM50435733
Wt: 553.6
BDBM50435734
Wt: 507.6
BDBM50435736

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 25 hits for monomerid = 26514,67695,67696,89460,89462,89463,50402023,50435731,50435732,50435733,50435734,50435736   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bromodomain-containing protein 4


(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
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
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60n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity to BRD4 (unknown origin) expressed in Escherichia coli BL21 after 1 hr by proprietary competition assay


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM50402023
PNG
(BI 6727 | VOLASERTIB)
Show SMILES CC[C@H]1N(C(C)C)c2nc(Nc3ccc(cc3OC)C(=O)N[C@H]3CC[C@@H](CC3)N3CCN(CC4CC4)CC3)ncc2N(C)C1=O
Show InChI InChI=1S/C34H50N8O3/c1-6-28-33(44)39(4)29-20-35-34(38-31(29)42(28)22(2)3)37-27-14-9-24(19-30(27)45-5)32(43)36-25-10-12-26(13-11-25)41-17-15-40(16-18-41)21-23-7-8-23/h9,14,19-20,22-23,25-26,28H,6-8,10-13,15-18,21H2,1-5H3,(H,36,43)(H,35,37,38)/t25-,26-,28-/m1/s1
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n/an/a 0.870n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
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
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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)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 33


(Homo sapiens)
BDBM67695
PNG
(4-[(9-cyclopentyl-5-ethyl-6-keto-8-phenyl-7,8-dihy...)
Show SMILES CCN1c2cnc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)nc2N(C2CCCC2)C(CC1=O)c1ccccc1
Show InChI InChI=1S/C34H43N7O3/c1-4-40-29-22-35-34(37-27-15-14-24(20-30(27)44-3)33(43)36-25-16-18-39(2)19-17-25)38-32(29)41(26-12-8-9-13-26)28(21-31(40)42)23-10-6-5-7-11-23/h5-7,10-11,14-15,20,22,25-26,28H,4,8-9,12-13,16-19,21H2,1-3H3,(H,36,43)(H,35,37,38)
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n/an/an/an/a 7.93E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: STK33 Kinase, Non-ATP Competitive Inhibitor Assay Overview: Purified STK33 Kinase is preincubated with potential inhibitors and allowed to ...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 33


(Homo sapiens)
BDBM67696
PNG
(3-methoxy-4-[[5-methyl-9-(4-oxidanylcyclohexyl)-6-...)
Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)CCN(C3CCC(O)CC3)c2n1)C(=O)NC1CCN(C)CC1
Show InChI InChI=1S/C28H39N7O4/c1-33-13-10-19(11-14-33)30-27(38)18-4-9-22(24(16-18)39-3)31-28-29-17-23-26(32-28)35(15-12-25(37)34(23)2)20-5-7-21(36)8-6-20/h4,9,16-17,19-21,36H,5-8,10-15H2,1-3H3,(H,30,38)(H,29,31,32)
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n/an/an/an/a 8.38E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: STK33 Kinase, Non-ATP Competitive Inhibitor Assay Overview: Purified STK33 Kinase is preincubated with potential inhibitors and allowed to ...


Citation and Details
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens)
BDBM67695
PNG
(4-[(9-cyclopentyl-5-ethyl-6-keto-8-phenyl-7,8-dihy...)
Show SMILES CCN1c2cnc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)nc2N(C2CCCC2)C(CC1=O)c1ccccc1
Show InChI InChI=1S/C34H43N7O3/c1-4-40-29-22-35-34(37-27-15-14-24(20-30(27)44-3)33(43)36-25-16-18-39(2)19-17-25)38-32(29)41(26-12-8-9-13-26)28(21-31(40)42)23-10-6-5-7-11-23/h5-7,10-11,14-15,20,22,25-26,28H,4,8-9,12-13,16-19,21H2,1-3H3,(H,36,43)(H,35,37,38)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


Citation and Details
More data for this
Ligand-Target Pair
Zinc finger protein GLI1


(Mus musculus)
BDBM89460
PNG
(4-[(9-cyclohexyl-5-methyl-6-oxidanylidene-7,8-dihy...)
Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)CCN(C3CCCCC3)c2n1)C(=O)NC1CCN(C)CC1
Show InChI InChI=1S/C28H39N7O3/c1-33-14-11-20(12-15-33)30-27(37)19-9-10-22(24(17-19)38-3)31-28-29-18-23-26(32-28)35(16-13-25(36)34(23)2)21-7-5-4-6-8-21/h9-10,17-18,20-21H,4-8,11-16H2,1-3H3,(H,30,37)(H,29,31,32)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


Citation and Details
More data for this
Ligand-Target Pair
Zinc finger protein GLI1


(Mus musculus)
BDBM89462
PNG
(3-methoxy-4-[[5-methyl-6-oxidanylidene-9-(2-phenyl...)
Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)CCN(CCc3ccccc3)c2n1)C(=O)NC1CCN(C)CC1
Show InChI InChI=1S/C30H37N7O3/c1-35-15-12-23(13-16-35)32-29(39)22-9-10-24(26(19-22)40-3)33-30-31-20-25-28(34-30)37(18-14-27(38)36(25)2)17-11-21-7-5-4-6-8-21/h4-10,19-20,23H,11-18H2,1-3H3,(H,32,39)(H,31,33,34)
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n/an/a 4.62E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


Citation and Details
More data for this
Ligand-Target Pair
Zinc finger protein GLI1


(Mus musculus)
BDBM89463
PNG
(4-[(9-cyclopentyl-5-ethyl-6-keto-7,8-dihydropyrimi...)
Show SMILES CCN1c2cnc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)nc2N(CCC1=O)C1CCCC1
Show InChI InChI=1S/C28H39N7O3/c1-4-34-23-18-29-28(32-26(23)35(16-13-25(34)36)21-7-5-6-8-21)31-22-10-9-19(17-24(22)38-3)27(37)30-20-11-14-33(2)15-12-20/h9-10,17-18,20-21H,4-8,11-16H2,1-3H3,(H,30,37)(H,29,31,32)
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n/an/a 3.45E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


Citation and Details
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Mus musculus)
BDBM89460
PNG
(4-[(9-cyclohexyl-5-methyl-6-oxidanylidene-7,8-dihy...)
Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)CCN(C3CCCCC3)c2n1)C(=O)NC1CCN(C)CC1
Show InChI InChI=1S/C28H39N7O3/c1-33-14-11-20(12-15-33)30-27(37)19-9-10-22(24(17-19)38-3)31-28-29-18-23-26(32-28)35(16-13-25(36)34(23)2)21-7-5-4-6-8-21/h9-10,17-18,20-21H,4-8,11-16H2,1-3H3,(H,30,37)(H,29,31,32)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




Citation and Details
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Mus musculus)
BDBM89462
PNG
(3-methoxy-4-[[5-methyl-6-oxidanylidene-9-(2-phenyl...)
Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)CCN(CCc3ccccc3)c2n1)C(=O)NC1CCN(C)CC1
Show InChI InChI=1S/C30H37N7O3/c1-35-15-12-23(13-16-35)32-29(39)22-9-10-24(26(19-22)40-3)33-30-31-20-25-28(34-30)37(18-14-27(38)36(25)2)17-11-21-7-5-4-6-8-21/h4-10,19-20,23H,11-18H2,1-3H3,(H,32,39)(H,31,33,34)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




Citation and Details
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Mus musculus)
BDBM89463
PNG
(4-[(9-cyclopentyl-5-ethyl-6-keto-7,8-dihydropyrimi...)
Show SMILES CCN1c2cnc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)nc2N(CCC1=O)C1CCCC1
Show InChI InChI=1S/C28H39N7O3/c1-4-34-23-18-29-28(32-26(23)35(16-13-25(34)36)21-7-5-6-8-21)31-22-10-9-19(17-24(22)38-3)27(37)30-20-11-14-33(2)15-12-20/h9-10,17-18,20-21H,4-8,11-16H2,1-3H3,(H,30,37)(H,29,31,32)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM50435736
PNG
(CHEMBL2392552 | US9266890, I-3)
Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)CCN(C3CCCC3)c2n1)C(=O)NC1CCN(C)CC1
Show InChI InChI=1S/C27H37N7O3/c1-32-13-10-19(11-14-32)29-26(36)18-8-9-21(23(16-18)37-3)30-27-28-17-22-25(31-27)34(20-6-4-5-7-20)15-12-24(35)33(22)2/h8-9,16-17,19-20H,4-7,10-15H2,1-3H3,(H,29,36)(H,28,30,31)
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US Patent
n/an/an/a 0.570n/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
In vitro Plk1 binding assay: Ambit Kd values in nanomolar. Kd values generated by Ambit binding assay over a concentration range of the compound.


Citation and Details
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50402023
PNG
(BI 6727 | VOLASERTIB)
Show SMILES CC[C@H]1N(C(C)C)c2nc(Nc3ccc(cc3OC)C(=O)N[C@H]3CC[C@@H](CC3)N3CCN(CC4CC4)CC3)ncc2N(C)C1=O
Show InChI InChI=1S/C34H50N8O3/c1-6-28-33(44)39(4)29-20-35-34(38-31(29)42(28)22(2)3)37-27-14-9-24(19-30(27)45-5)32(43)36-25-10-12-26(13-11-25)41-17-15-40(16-18-41)21-23-7-8-23/h9,14,19-20,22-23,25-26,28H,6-8,10-13,15-18,21H2,1-5H3,(H,36,43)(H,35,37,38)/t25-,26-,28-/m1/s1
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n/an/a 1.07E+3n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Displacement of biotin-PEG2- SGRGKacGGKacGLGKacGGAKacRHPvK-COOH from BRD4 (unknown origin) after 1.5 hrs by acetyl-histone binding based Alphascreen ...


Citation and Details
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50402023
PNG
(BI 6727 | VOLASERTIB)
Show SMILES CC[C@H]1N(C(C)C)c2nc(Nc3ccc(cc3OC)C(=O)N[C@H]3CC[C@@H](CC3)N3CCN(CC4CC4)CC3)ncc2N(C)C1=O
Show InChI InChI=1S/C34H50N8O3/c1-6-28-33(44)39(4)29-20-35-34(38-31(29)42(28)22(2)3)37-27-14-9-24(19-30(27)45-5)32(43)36-25-10-12-26(13-11-25)41-17-15-40(16-18-41)21-23-7-8-23/h9,14,19-20,22-23,25-26,28H,6-8,10-13,15-18,21H2,1-5H3,(H,36,43)(H,35,37,38)/t25-,26-,28-/m1/s1
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n/an/an/a 255n/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Binding affinity to BRD4 (unknown origin) by isothermal titration calorimetric assay


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM50402023
PNG
(BI 6727 | VOLASERTIB)
Show SMILES CC[C@H]1N(C(C)C)c2nc(Nc3ccc(cc3OC)C(=O)N[C@H]3CC[C@@H](CC3)N3CCN(CC4CC4)CC3)ncc2N(C)C1=O
Show InChI InChI=1S/C34H50N8O3/c1-6-28-33(44)39(4)29-20-35-34(38-31(29)42(28)22(2)3)37-27-14-9-24(19-30(27)45-5)32(43)36-25-10-12-26(13-11-25)41-17-15-40(16-18-41)21-23-7-8-23/h9,14,19-20,22-23,25-26,28H,6-8,10-13,15-18,21H2,1-5H3,(H,36,43)(H,35,37,38)/t25-,26-,28-/m1/s1
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n/an/a 0.870n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Inhibition of NH2-terminal GST-tagged recombinant human Plk1 (1 to 603 residues) expressed in baculovirus expression system using casein as substrate...


J Med Chem 59: 8712-8756 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM50435731
PNG
(CHEMBL2392557)
Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)[C@H](CC=C)CN(C3CCCC3)c2n1)C(=O)NC1CCN(C)CC1
Show InChI InChI=1S/C30H41N7O3/c1-5-8-21-19-37(23-9-6-7-10-23)27-25(36(3)29(21)39)18-31-30(34-27)33-24-12-11-20(17-26(24)40-4)28(38)32-22-13-15-35(2)16-14-22/h5,11-12,17-18,21-23H,1,6-10,13-16,19H2,2-4H3,(H,32,38)(H,31,33,34)/t21-/m1/s1
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n/an/a 70n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of PLK1 (unknown origin) using biotin-AGAGTVPESIHSFIGDGLV as substrate by TR-FRET assay


Bioorg Med Chem Lett 23: 3662-6 (2013)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM50435732
PNG
(CHEMBL2392556)
Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](CC=C)CN(C3CCCC3)c2n1)C(=O)NC1CCN(C)CC1
Show InChI InChI=1S/C30H41N7O3/c1-5-8-21-19-37(23-9-6-7-10-23)27-25(36(3)29(21)39)18-31-30(34-27)33-24-12-11-20(17-26(24)40-4)28(38)32-22-13-15-35(2)16-14-22/h5,11-12,17-18,21-23H,1,6-10,13-16,19H2,2-4H3,(H,32,38)(H,31,33,34)/t21-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of PLK1 (unknown origin) using biotin-AGAGTVPESIHSFIGDGLV as substrate by TR-FRET assay


Bioorg Med Chem Lett 23: 3662-6 (2013)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM50435733
PNG
(CHEMBL2392555)
Show SMILES CC[C@]1(F)CN(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O
Show InChI InChI=1S/C29H40FN7O3/c1-5-29(30)18-37(21-8-6-7-9-21)25-23(36(3)27(29)39)17-31-28(34-25)33-22-11-10-19(16-24(22)40-4)26(38)32-20-12-14-35(2)15-13-20/h10-11,16-17,20-21H,5-9,12-15,18H2,1-4H3,(H,32,38)(H,31,33,34)/t29-/m0/s1
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n/an/a 100n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of PLK1 (unknown origin) using biotin-AGAGTVPESIHSFIGDGLV as substrate by TR-FRET assay


Bioorg Med Chem Lett 23: 3662-6 (2013)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM50435734
PNG
(CHEMBL2392554)
Show SMILES CC[C@@]1(F)CN(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O
Show InChI InChI=1S/C29H40FN7O3/c1-5-29(30)18-37(21-8-6-7-9-21)25-23(36(3)27(29)39)17-31-28(34-25)33-22-11-10-19(16-24(22)40-4)26(38)32-20-12-14-35(2)15-13-20/h10-11,16-17,20-21H,5-9,12-15,18H2,1-4H3,(H,32,38)(H,31,33,34)/t29-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of PLK1 (unknown origin) using biotin-AGAGTVPESIHSFIGDGLV as substrate by TR-FRET assay


Bioorg Med Chem Lett 23: 3662-6 (2013)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM50435736
PNG
(CHEMBL2392552 | US9266890, I-3)
Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)CCN(C3CCCC3)c2n1)C(=O)NC1CCN(C)CC1
Show InChI InChI=1S/C27H37N7O3/c1-32-13-10-19(11-14-32)29-26(36)18-8-9-21(23(16-18)37-3)30-27-28-17-22-25(31-27)34(20-6-4-5-7-20)15-12-24(35)33(22)2/h8-9,16-17,19-20H,4-7,10-15H2,1-3H3,(H,29,36)(H,28,30,31)
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n/an/a 12n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of PLK1 (unknown origin) using biotin-AGAGTVPESIHSFIGDGLV as substrate by TR-FRET assay


Bioorg Med Chem Lett 23: 3662-6 (2013)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM50402023
PNG
(BI 6727 | VOLASERTIB)
Show SMILES CC[C@H]1N(C(C)C)c2nc(Nc3ccc(cc3OC)C(=O)N[C@H]3CC[C@@H](CC3)N3CCN(CC4CC4)CC3)ncc2N(C)C1=O
Show InChI InChI=1S/C34H50N8O3/c1-6-28-33(44)39(4)29-20-35-34(38-31(29)42(28)22(2)3)37-27-14-9-24(19-30(27)45-5)32(43)36-25-10-12-26(13-11-25)41-17-15-40(16-18-41)21-23-7-8-23/h9,14,19-20,22-23,25-26,28H,6-8,10-13,15-18,21H2,1-5H3,(H,36,43)(H,35,37,38)/t25-,26-,28-/m1/s1
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n/an/a 0.870n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Competitive inhibition of human PLK1 in presence of ATP


Bioorg Med Chem Lett 22: 7615-22 (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50402023
PNG
(BI 6727 | VOLASERTIB)
Show SMILES CC[C@H]1N(C(C)C)c2nc(Nc3ccc(cc3OC)C(=O)N[C@H]3CC[C@@H](CC3)N3CCN(CC4CC4)CC3)ncc2N(C)C1=O
Show InChI InChI=1S/C34H50N8O3/c1-6-28-33(44)39(4)29-20-35-34(38-31(29)42(28)22(2)3)37-27-14-9-24(19-30(27)45-5)32(43)36-25-10-12-26(13-11-25)41-17-15-40(16-18-41)21-23-7-8-23/h9,14,19-20,22-23,25-26,28H,6-8,10-13,15-18,21H2,1-5H3,(H,36,43)(H,35,37,38)/t25-,26-,28-/m1/s1
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n/an/an/a 79n/an/an/an/an/a



The University of Sydney

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
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
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
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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)

More data for this
Ligand-Target Pair
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
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
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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)

More data for this
Ligand-Target Pair