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12 similar compounds to monomer 25121

Compile data set for download or QSAR
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=1/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-/s2
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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


ACS Med Chem Lett 6: 764-9 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00084
BindingDB Entry DOI: 10.7270/Q2FF3V4D
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=1/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-/s2
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n/an/a 0.870n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged recombinant human PLK1 (1 to 603 residues) expressed in baculovirus expression system using bovine milk casein as...


Nat Rev Drug Discov 16: 424-440 (2017)


Article DOI: 10.1038/nrd.2016.266
BindingDB Entry DOI: 10.7270/Q2125VNC
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=1/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-/s2
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n/an/a 6.70n/an/an/an/a7.522



Pfizer Inc



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 33


(Homo sapiens (Human))
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 ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2B27SRF
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 33


(Homo sapiens (Human))
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 ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2B27SRF
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens (Human))
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...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2X34VX0
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...


PubChem Bioassay (2012)


Article DOI: 10.1038/nchembio.1930
BindingDB Entry DOI: 10.7270/Q2862F26
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...


PubChem Bioassay (2012)


Article DOI: 10.1038/nchembio.1930
BindingDB Entry DOI: 10.7270/Q2862F26
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...


PubChem Bioassay (2012)


Article DOI: 10.1038/nchembio.1930
BindingDB Entry DOI: 10.7270/Q2862F26
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




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q25B012X
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




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q25B012X
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




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q25B012X
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.


US Patent US9266890 (2016)


BindingDB Entry DOI: 10.7270/Q27M06RB
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=1/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-/s2
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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 ...


ACS Med Chem Lett 7: 131-131 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00381
BindingDB Entry DOI: 10.7270/Q2QR5012
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=1/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-/s2
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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


ACS Med Chem Lett 7: 131-131 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00381
BindingDB Entry DOI: 10.7270/Q2QR5012
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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=1/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-/s2
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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)


Article DOI: 10.1021/acs.jmedchem.6b00472
BindingDB Entry DOI: 10.7270/Q29G5PR8
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=1/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-/s2
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n/an/a 70n/an/an/an/an/an/a



Takeda California Inc

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)


Article DOI: 10.1016/j.bmcl.2013.02.083
BindingDB Entry DOI: 10.7270/Q2ST7R8C
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=1/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-/s2
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n/an/a 1n/an/an/an/an/an/a



Takeda California Inc

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)


Article DOI: 10.1016/j.bmcl.2013.02.083
BindingDB Entry DOI: 10.7270/Q2ST7R8C
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=1/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-/s2
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n/an/a 100n/an/an/an/an/an/a



Takeda California Inc

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)


Article DOI: 10.1016/j.bmcl.2013.02.083
BindingDB Entry DOI: 10.7270/Q2ST7R8C
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=1/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-/s2
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n/an/a 2n/an/an/an/an/an/a



Takeda California Inc

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)


Article DOI: 10.1016/j.bmcl.2013.02.083
BindingDB Entry DOI: 10.7270/Q2ST7R8C
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 Inc

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)


Article DOI: 10.1016/j.bmcl.2013.02.083
BindingDB Entry DOI: 10.7270/Q2ST7R8C
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=1/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-/s2
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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)


Article DOI: 10.1016/j.bmcl.2012.10.009
BindingDB Entry DOI: 10.7270/Q2XK8GQ3
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=1/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-/s2
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n/an/an/a 79n/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human His6-TEV protease-tagged BRD4 bromodomain 1 expressed in bacteria by isothermal titration calorimetric method


Nat Rev Drug Discov 16: 424-440 (2017)


Article DOI: 10.1038/nrd.2016.266
BindingDB Entry DOI: 10.7270/Q2125VNC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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=1/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-/s2
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n/an/a 5n/an/an/an/a7.522



Pfizer Inc



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))
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=1/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-/s2
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n/an/a 11.5n/an/an/an/a7.522



Pfizer Inc



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