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76 similar compounds to monomer 50136755

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 71 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 50169714,50180322,50180317,50180316,50205241,50217795,50217796,50217803,50217807,50228386,50228388,50095634,50095636,50082431,50082429   
Target
(Institution)
LigandTarget
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
Voltage-gated potassium channel


(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)

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)

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


(Homo sapiens (Human))
BDBM50095634
PNG
(CHEMBL3590519)
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)

More data for this
Ligand-Target Pair
TNF receptor-associated factor 6


(Homo sapiens)
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)

More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
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)

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)

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)

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)

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)

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)

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)

More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
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)

More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
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)

More data for this
Ligand-Target Pair
Heat shock protein HSP90


(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)

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)

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)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50082431
PNG
(CHEMBL3422972)
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)

More data for this
Ligand-Target Pair