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76 similar compounds to monomer 50136755

Compile data set for download or QSAR
Wt: 377.7
BDBM50169714
Wt: 355.3
BDBM50180322
Wt: 323.3
BDBM50180317
Wt: 388.4
BDBM50180316
Wt: 346.3
BDBM50205241
Wt: 352.3
BDBM50217795
Wt: 398.4
BDBM50217796
Wt: 366.3
BDBM50217803
Wt: 390.4
BDBM50217807
Wt: 344.3
BDBM50228386
Wt: 358.3
BDBM50228388
Wt: 508.6
BDBM50095634
Wt: 328.3
BDBM50095636
Purchase
Wt: 519.5
BDBM50082431
Wt: 484.5
BDBM50082429
Displayed 1 to 15 (of 76 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 50169714,50180322,50180317,50180316,50205241,50217795,50217796,50217803,50217807,50228386,50228388,50095634,50095636,50082431,50082429   
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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50082429
PNG
(CHEMBL3422970)
Show SMILES Cc1nc2c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)ccnc2cc1C#N
Show InChI InChI=1S/C27H28N6O3/c1-17-19(13-28)12-21-24(31-17)18(5-11-29-21)4-6-27-9-7-26(8-10-27,16-36-27)30-14-20-2-3-22-25(32-20)33-23(34)15-35-22/h2-3,5,11-12,30H,4,6-10,14-16H2,1H3,(H,32,33,34)
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n/an/a 0.870n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK499 binding to human ERG


Bioorg Med Chem Lett 25: 2409-15 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.002
BindingDB Entry DOI: 10.7270/Q2CN75MC
More data for this
Ligand-Target Pair
N-lysine methyltransferase SMYD2


(Homo sapiens (Human))
BDBM50095634
PNG
(CHEMBL3590519 | US9598381, 11)
Show SMILES Oc1ccc(CCNCCN(C2CCCCC2)C(=O)CCNCCc2ccccc2)c2OCC(=O)Nc12
Show InChI InChI=1S/C29H40N4O4/c34-25-12-11-23(29-28(25)32-26(35)21-37-29)14-17-31-19-20-33(24-9-5-2-6-10-24)27(36)15-18-30-16-13-22-7-3-1-4-8-22/h1,3-4,7-8,11-12,24,30-31,34H,2,5-6,9-10,13-21H2,(H,32,35)
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US Patent
n/an/a>5.00E+4n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Binding affinity of compounds having formula (I) to SMYD2 is indicia of their inhibition of the activity of this protein lysine methyltransferase. To...


US Patent US9598381 (2017)

More data for this
Ligand-Target Pair
SET and MYND domain-containing protein 2 (SMYD2)


(Homo sapiens (Human))
BDBM50095634
PNG
(CHEMBL3590519 | US9598381, 11)
Show SMILES Oc1ccc(CCNCCN(C2CCCCC2)C(=O)CCNCCc2ccccc2)c2OCC(=O)Nc12
Show InChI InChI=1S/C29H40N4O4/c34-25-12-11-23(29-28(25)32-26(35)21-37-29)14-17-31-19-20-33(24-9-5-2-6-10-24)27(36)15-18-30-16-13-22-7-3-1-4-8-22/h1,3-4,7-8,11-12,24,30-31,34H,2,5-6,9-10,13-21H2,(H,32,35)
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n/an/a 440n/an/an/an/an/an/a



AbbVie, Inc.

Curated by ChEMBL


Assay Description
Inhibition of SMYD2 (unknown origin) using biotinylated GSRAHSSHLKSKKGQSTSRH as substrate assessed as incorporation of tritium labeled methyl group f...


ACS Med Chem Lett 6: 695-700 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00124
BindingDB Entry DOI: 10.7270/Q2KP83X5
More data for this
Ligand-Target Pair
TNF receptor-associated factor 6


(Homo sapiens (Human))
BDBM50095636
PNG
(CHEMBL3590511)
Show SMILES OC(=O)c1ccc(NC(=O)Cn2c3ccccc3sc2=O)cc1
Show InChI InChI=1S/C16H12N2O4S/c19-14(17-11-7-5-10(6-8-11)15(20)21)9-18-12-3-1-2-4-13(12)23-16(18)22/h1-8H,9H2,(H,17,19)(H,20,21)
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n/an/an/a 1.90E+6n/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human TRAF6 interaction with biotinylated RANK peptide by NMR interaction analysis


J Med Chem 58: 5674-83 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00778
BindingDB Entry DOI: 10.7270/Q2B56MHW
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens (Human))
BDBM50205241
PNG
(3-(2'-deoxy-beta-D-ribofuranosyl)-6-(4-fluoropheny...)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cc2cc(oc2nc1=O)-c1ccc(F)cc1
Show InChI InChI=1S/C17H15FN2O5/c18-11-3-1-9(2-4-11)13-5-10-7-20(17(23)19-16(10)25-13)15-6-12(22)14(8-21)24-15/h1-5,7,12,14-15,21-22H,6,8H2/t12-,14+,15+/m0/s1
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n/an/a>5.00E+5n/an/an/an/an/an/a



K.U. Leuven

Curated by ChEMBL


Assay Description
Inhibition of recombinant cytosolic TK-1 assessed as [CH3-H3]dThd phosphorylation


J Med Chem 50: 1041-9 (2007)


Article DOI: 10.1021/jm060964m
BindingDB Entry DOI: 10.7270/Q2833RQS
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)
BDBM50205241
PNG
(3-(2'-deoxy-beta-D-ribofuranosyl)-6-(4-fluoropheny...)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cc2cc(oc2nc1=O)-c1ccc(F)cc1
Show InChI InChI=1S/C17H15FN2O5/c18-11-3-1-9(2-4-11)13-5-10-7-20(17(23)19-16(10)25-13)15-6-12(22)14(8-21)24-15/h1-5,7,12,14-15,21-22H,6,8H2/t12-,14+,15+/m0/s1
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n/an/a>5.00E+5n/an/an/an/an/an/a



K.U. Leuven

Curated by ChEMBL


Assay Description
Inhibition of recombinant HSV-1 TK assessed as [CH3-H3]dThd phosphorylation


J Med Chem 50: 1041-9 (2007)


Article DOI: 10.1021/jm060964m
BindingDB Entry DOI: 10.7270/Q2833RQS
More data for this
Ligand-Target Pair
Thymidine kinase


(Varicella-zoster virus (strain Dumas) (HHV-3) (Hum...)
BDBM50180316
PNG
(3-(2-deoxy-beta-D-erythro-pentofuranosyl)-6-decyn-...)
Show SMILES CCCCCCCCC#Cc1cc2cn([C@H]3C[C@H](O)[C@@H](CO)O3)c(=O)nc2o1
Show InChI InChI=1S/C21H28N2O5/c1-2-3-4-5-6-7-8-9-10-16-11-15-13-23(21(26)22-20(15)27-16)19-12-17(25)18(14-24)28-19/h11,13,17-19,24-25H,2-8,12,14H2,1H3/t17-,18+,19+/m0/s1
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n/an/a 2.17E+5n/an/an/an/an/an/a



Brigham Young University

Curated by ChEMBL


Assay Description
Inhibition of VZV thymidine kinase


J Med Chem 50: 3897-905 (2007)


Article DOI: 10.1021/jm070210n
BindingDB Entry DOI: 10.7270/Q2S75G19
More data for this
Ligand-Target Pair
Thymidine kinase


(Varicella-zoster virus (strain Dumas) (HHV-3) (Hum...)
BDBM50217796
PNG
(3-(2-deoxy-D-erythro-pentofuranosyl)-6-[2-(4-propy...)
Show SMILES CCCc1ccc(CCc2cc3cn([C@H]4C[C@H](O)[C@@H](CO)O4)c(=O)nc3o2)cc1
Show InChI InChI=1S/C22H26N2O5/c1-2-3-14-4-6-15(7-5-14)8-9-17-10-16-12-24(22(27)23-21(16)28-17)20-11-18(26)19(13-25)29-20/h4-7,10,12,18-20,25-26H,2-3,8-9,11,13H2,1H3/t18-,19+,20+/m0/s1
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n/an/a>5.00E+5n/an/an/an/an/an/a



Brigham Young University

Curated by ChEMBL


Assay Description
Inhibition of VZV thymidine kinase


J Med Chem 50: 3897-905 (2007)


Article DOI: 10.1021/jm070210n
BindingDB Entry DOI: 10.7270/Q2S75G19
More data for this
Ligand-Target Pair
Thymidine kinase


(Varicella-zoster virus (strain Dumas) (HHV-3) (Hum...)
BDBM50217803
PNG
(3-(2-deoxy-D-erythro-pentofuranosyl)-6-[(4-methylp...)
Show SMILES Cc1ccc(cc1)C#Cc1cc2cn([C@H]3C[C@H](O)[C@@H](CO)O3)c(=O)nc2o1
Show InChI InChI=1S/C20H18N2O5/c1-12-2-4-13(5-3-12)6-7-15-8-14-10-22(20(25)21-19(14)26-15)18-9-16(24)17(11-23)27-18/h2-5,8,10,16-18,23-24H,9,11H2,1H3/t16-,17+,18+/m0/s1
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n/an/a>5.00E+5n/an/an/an/an/an/a



Brigham Young University

Curated by ChEMBL


Assay Description
Inhibition of VZV thymidine kinase


J Med Chem 50: 3897-905 (2007)


Article DOI: 10.1021/jm070210n
BindingDB Entry DOI: 10.7270/Q2S75G19
More data for this
Ligand-Target Pair
Thymidine kinase


(Varicella-zoster virus (strain Dumas) (HHV-3) (Hum...)
BDBM50217795
PNG
(3-(2-deoxy-beta-d-erythro-pentofuranosyl)-6-(pheny...)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cc2cc(oc2nc1=O)C#Cc1ccccc1
Show InChI InChI=1S/C19H16N2O5/c22-11-16-15(23)9-17(26-16)21-10-13-8-14(25-18(13)20-19(21)24)7-6-12-4-2-1-3-5-12/h1-5,8,10,15-17,22-23H,9,11H2/t15-,16+,17+/m0/s1
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n/an/a 4.93E+5n/an/an/an/an/an/a



Brigham Young University

Curated by ChEMBL


Assay Description
Inhibition of VZV thymidine kinase


J Med Chem 50: 3897-905 (2007)


Article DOI: 10.1021/jm070210n
BindingDB Entry DOI: 10.7270/Q2S75G19
More data for this
Ligand-Target Pair
Thymidine kinase


(Varicella-zoster virus (strain Dumas) (HHV-3) (Hum...)
BDBM50217807
PNG
((E)-6-(dec-1-en-1-yl)-3-(2-deoxy-beta-D-erythro-pe...)
Show SMILES CCCCCCCC\C=C\c1cc2cn([C@H]3C[C@H](O)[C@@H](CO)O3)c(=O)nc2o1
Show InChI InChI=1S/C21H30N2O5/c1-2-3-4-5-6-7-8-9-10-16-11-15-13-23(21(26)22-20(15)27-16)19-12-17(25)18(14-24)28-19/h9-11,13,17-19,24-25H,2-8,12,14H2,1H3/b10-9+/t17-,18+,19+/m0/s1
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n/an/a 6.50E+4n/an/an/an/an/an/a



Brigham Young University

Curated by ChEMBL


Assay Description
Inhibition of VZV thymidine kinase


J Med Chem 50: 3897-905 (2007)


Article DOI: 10.1021/jm070210n
BindingDB Entry DOI: 10.7270/Q2S75G19
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens (Human))
BDBM50228388
PNG
(3-(2'-deoxy-beta-D-ribofuranosyl)-6-(4-methoxyphen...)
Show SMILES COc1ccc(cc1)-c1cc2cn([C@H]3C[C@H](O)[C@@H](CO)O3)c(=O)nc2o1
Show InChI InChI=1S/C18H18N2O6/c1-24-12-4-2-10(3-5-12)14-6-11-8-20(18(23)19-17(11)26-14)16-7-13(22)15(9-21)25-16/h2-6,8,13,15-16,21-22H,7,9H2,1H3/t13-,15+,16+/m0/s1
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n/an/a>5.00E+5n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic thymidine kinase 1


J Med Chem 50: 6627-37 (2007)


Article DOI: 10.1021/jm700971p
BindingDB Entry DOI: 10.7270/Q29W0F7W
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens (Human))
BDBM50228386
PNG
(3-(2'-deoxy-beta-D-ribofuranosyl)-6-(4-hydroxyphen...)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cc2cc(oc2nc1=O)-c1ccc(O)cc1
Show InChI InChI=1S/C17H16N2O6/c20-8-14-12(22)6-15(24-14)19-7-10-5-13(25-16(10)18-17(19)23)9-1-3-11(21)4-2-9/h1-5,7,12,14-15,20-22H,6,8H2/t12-,14+,15+/m0/s1
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n/an/a>5.00E+5n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic thymidine kinase 1


J Med Chem 50: 6627-37 (2007)


Article DOI: 10.1021/jm700971p
BindingDB Entry DOI: 10.7270/Q29W0F7W
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50169714
PNG
(CHEMBL3804936)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccno1
Show InChI InChI=1S/C17H16ClN3O5/c1-25-17(24)15-11(16(18)13(23)8-12(15)22)2-3-14-19-6-7-21(14)9-10-4-5-20-26-10/h4-8,22-23H,2-3,9H2,1H3
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n/an/an/a 810n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Apparent binding affinity to Hsp90alpha (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer


J Med Chem 59: 3471-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00085
BindingDB Entry DOI: 10.7270/Q2H133X3
More data for this
Ligand-Target Pair
Glucose regulated protein 94kDa (Grp94)


(Homo sapiens (Human))
BDBM50169714
PNG
(CHEMBL3804936)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccno1
Show InChI InChI=1S/C17H16ClN3O5/c1-25-17(24)15-11(16(18)13(23)8-12(15)22)2-3-14-19-6-7-21(14)9-10-4-5-20-26-10/h4-8,22-23H,2-3,9H2,1H3
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n/an/an/a 400n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Apparent binding affinity to Grp94 (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer


J Med Chem 59: 3471-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00085
BindingDB Entry DOI: 10.7270/Q2H133X3
More data for this
Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase)


(Homo sapiens (Human))
BDBM50180317
PNG
(CHEMBL3814892)
Show SMILES Cc1cccc(\C=N\NC(=O)c2cnc3c(F)cccc3c2O)c1
Show InChI InChI=1S/C18H14FN3O2/c1-11-4-2-5-12(8-11)9-21-22-18(24)14-10-20-16-13(17(14)23)6-3-7-15(16)19/h2-10H,1H3,(H,20,23)(H,22,24)/b21-9+
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n/an/a 5.10E+4n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)

Curated by ChEMBL


Assay Description
Inhibition of beta-glucuronidase (unknown origin) using p-nitrophenyl-beta-D-glucuronide as substrate assessed as formation of p-nitrophenol incubate...


Bioorg Med Chem 24: 3696-704 (2016)


Article DOI: 10.1016/j.bmc.2016.06.008
BindingDB Entry DOI: 10.7270/Q2CJ8GF6
More data for this
Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase)


(Homo sapiens (Human))
BDBM50180322
PNG
(CHEMBL3815121)
Show SMILES COc1ccc(\C=N\NC(=O)c2cnc3c(F)cccc3c2O)c(O)c1
Show InChI InChI=1S/C18H14FN3O4/c1-26-11-6-5-10(15(23)7-11)8-21-22-18(25)13-9-20-16-12(17(13)24)3-2-4-14(16)19/h2-9,23H,1H3,(H,20,24)(H,22,25)/b21-8+
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n/an/a 9.60E+3n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)

Curated by ChEMBL


Assay Description
Inhibition of beta-glucuronidase (unknown origin) using p-nitrophenyl-beta-D-glucuronide as substrate assessed as formation of p-nitrophenol incubate...


Bioorg Med Chem 24: 3696-704 (2016)


Article DOI: 10.1016/j.bmc.2016.06.008
BindingDB Entry DOI: 10.7270/Q2CJ8GF6
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50082431
PNG
(CHEMBL3422972)
Show SMILES COc1cc2nccc(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2nc1C(O)=O
Show InChI InChI=1S/C27H29N5O6/c1-36-20-12-18-22(32-23(20)25(34)35)16(5-11-28-18)4-6-27-9-7-26(8-10-27,15-38-27)29-13-17-2-3-19-24(30-17)31-21(33)14-37-19/h2-3,5,11-12,29H,4,6-10,13-15H2,1H3,(H,34,35)(H,30,31,33)
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n/an/a 13n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK499 binding to human ERG


Bioorg Med Chem Lett 25: 2409-15 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.002
BindingDB Entry DOI: 10.7270/Q2CN75MC
More data for this
Ligand-Target Pair