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Compile Data Set for Download or QSAR

Found 57 hits of kd for UniProtKB: A0A024R7Y5   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Transcription elongation factor B polypeptide 1


(Homo sapiens (Human))
BDBM50446134
PNG
(CHEMBL3108877)
Show SMILES CNC(=O)[C@@H]1C[C@@H](O)CN1C(C)=O
Show InChI InChI=1S/C8H14N2O3/c1-5(11)10-4-6(12)3-7(10)8(13)9-2/h6-7,12H,3-4H2,1-2H3,(H,9,13)/t6-,7+/m1/s1
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n/an/an/a 1.00E+7n/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Displacement of FAM-DEALAHyp-YIPD from VHL/elongins-B/elonginC (unknown origin) by isothermal titration calorimetric analysis


Bioorg Med Chem Lett 24: 2546-54 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.095
BindingDB Entry DOI: 10.7270/Q2FX7C05
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transcription elongation factor B polypeptide 1


(Homo sapiens (Human))
BDBM50463159
PNG
(CHEMBL4241500)
Show SMILES Clc1ccc2SCCC(=O)c2c1
Show InChI InChI=1S/C9H7ClOS/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5H,3-4H2
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n/an/an/a 6.70n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6 tagged VHL (54 to 213 residues)/ELoC (17 to 112 residues)/EloB (1 to 120 residues) (unknown origin) complex expre...


J Med Chem 61: 7387-7393 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00842
BindingDB Entry DOI: 10.7270/Q2639SCC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transcription elongation factor B polypeptide 1


(Homo sapiens (Human))
BDBM50461569
PNG
(CHEMBL4228750)
Show SMILES C[C@H](NC(C)=O)C(=S)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1scnc1C
Show InChI InChI=1S/C21H26N4O3S2/c1-12-19(30-11-23-12)16-6-4-15(5-7-16)9-22-20(28)18-8-17(27)10-25(18)21(29)13(2)24-14(3)26/h4-7,11,13,17-18,27H,8-10H2,1-3H3,(H,22,28)(H,24,26)/t13-,17+,18-/m0/s1
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n/an/an/a 1.00E+3n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to VBC complex (unknown origin) assessed as reduction of FAM-labelled HIF1alpha peptide binding by fluorescence polarization assay


Bioorg Med Chem 26: 2992-2995 (2018)


Article DOI: 10.1016/j.bmc.2018.03.034
BindingDB Entry DOI: 10.7270/Q2HX1GB7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transcription elongation factor B polypeptide 1


(Homo sapiens (Human))
BDBM50461570
PNG
(CHEMBL4224723)
Show SMILES C[C@H](NC(C)=O)C(=S)N1C[C@H](O)C[C@H]1C(=S)NCc1ccc(cc1)-c1scnc1C
Show InChI InChI=1S/C21H26N4O2S3/c1-12-19(30-11-23-12)16-6-4-15(5-7-16)9-22-20(28)18-8-17(27)10-25(18)21(29)13(2)24-14(3)26/h4-7,11,13,17-18,27H,8-10H2,1-3H3,(H,22,28)(H,24,26)/t13-,17+,18-/m0/s1
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n/an/an/a>1.30E+4n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to VBC complex (unknown origin) assessed as reduction of FAM-labelled HIF1alpha peptide binding by fluorescence polarization assay


Bioorg Med Chem 26: 2992-2995 (2018)


Article DOI: 10.1016/j.bmc.2018.03.034
BindingDB Entry DOI: 10.7270/Q2HX1GB7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transcription elongation factor B polypeptide 1


(Homo sapiens (Human))
BDBM50459942
PNG
(CHEMBL4227864 | US10730870, Example 85)
Show SMILES C[C@H](NC(C)=O)C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1scnc1C
Show InChI InChI=1S/C21H26N4O4S/c1-12-19(30-11-23-12)16-6-4-15(5-7-16)9-22-20(28)18-8-17(27)10-25(18)21(29)13(2)24-14(3)26/h4-7,11,13,17-18,27H,8-10H2,1-3H3,(H,22,28)(H,24,26)/t13-,17+,18-/m0/s1
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n/an/an/a 440n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to VBC complex (unknown origin) by ITC assay


Bioorg Med Chem 26: 2992-2995 (2018)


Article DOI: 10.1016/j.bmc.2018.03.034
BindingDB Entry DOI: 10.7270/Q2HX1GB7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transcription elongation factor B polypeptide 1


(Homo sapiens (Human))
BDBM50461570
PNG
(CHEMBL4224723)
Show SMILES C[C@H](NC(C)=O)C(=S)N1C[C@H](O)C[C@H]1C(=S)NCc1ccc(cc1)-c1scnc1C
Show InChI InChI=1S/C21H26N4O2S3/c1-12-19(30-11-23-12)16-6-4-15(5-7-16)9-22-20(28)18-8-17(27)10-25(18)21(29)13(2)24-14(3)26/h4-7,11,13,17-18,27H,8-10H2,1-3H3,(H,22,28)(H,24,26)/t13-,17+,18-/m0/s1
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n/an/an/a 2.16E+4n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to VBC complex (unknown origin) by ITC assay


Bioorg Med Chem 26: 2992-2995 (2018)


Article DOI: 10.1016/j.bmc.2018.03.034
BindingDB Entry DOI: 10.7270/Q2HX1GB7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transcription elongation factor B polypeptide 1


(Homo sapiens (Human))
BDBM50459876
PNG
(CHEMBL4229193)
Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(=O)NCCOCCOCCOCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1scnc1C)C(C)(C)C
Show InChI InChI=1S/C55H66ClN7O9S/c1-34-27-46(60-43-18-16-42(56)17-19-43)45-28-41(15-20-47(45)63(34)36(3)64)38-11-13-40(14-12-38)52(67)57-21-22-70-23-24-71-25-26-72-32-49(66)61-51(55(4,5)6)54(69)62-31-44(65)29-48(62)53(68)58-30-37-7-9-39(10-8-37)50-35(2)59-33-73-50/h7-20,28,33-34,44,46,48,51,60,65H,21-27,29-32H2,1-6H3,(H,57,67)(H,58,68)(H,61,66)/t34-,44+,46+,48-,51+/m0/s1
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n/an/an/a 105n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged recombinant human VHL (54 to 213 residues)/elongin C (17 to 112 residues)/elongin B (1 to 104 residues) ex...


J Med Chem 61: 504-513 (2018)


Article DOI: 10.1021/acs.jmedchem.6b01912
BindingDB Entry DOI: 10.7270/Q2R49TC3
More data for this
Ligand-Target Pair
Transcription elongation factor B polypeptide 1


(Homo sapiens (Human))
BDBM50459878
PNG
(CHEMBL4227834)
Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(=O)NCCOCCOCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1scnc1C)C(C)(C)C
Show InChI InChI=1S/C53H62ClN7O8S/c1-32-25-44(58-41-18-16-40(54)17-19-41)43-26-39(15-20-45(43)61(32)34(3)62)36-11-13-38(14-12-36)50(65)55-21-22-68-23-24-69-30-47(64)59-49(53(4,5)6)52(67)60-29-42(63)27-46(60)51(66)56-28-35-7-9-37(10-8-35)48-33(2)57-31-70-48/h7-20,26,31-32,42,44,46,49,58,63H,21-25,27-30H2,1-6H3,(H,55,65)(H,56,66)(H,59,64)/t32-,42+,44+,46-,49+/m0/s1
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n/an/an/a 116n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged recombinant human VHL (54 to 213 residues)/elongin C (17 to 112 residues)/elongin B (1 to 104 residues) ex...


J Med Chem 61: 504-513 (2018)


Article DOI: 10.1021/acs.jmedchem.6b01912
BindingDB Entry DOI: 10.7270/Q2R49TC3
More data for this
Ligand-Target Pair
Transcription elongation factor B polypeptide 1


(Homo sapiens (Human))
BDBM50459877
PNG
(CHEMBL4227158)
Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCNC(=O)C[C@@H]2N=C(c3c(C)c(C)sc3-n3c(C)nnc23)c2ccc(Cl)cc2)C(C)(C)C)cc1
Show InChI InChI=1S/C47H56ClN9O7S2/c1-26-28(3)66-46-39(26)40(31-12-14-33(48)15-13-31)52-35(43-55-54-29(4)57(43)46)21-37(59)49-16-17-63-18-19-64-24-38(60)53-42(47(5,6)7)45(62)56-23-34(58)20-36(56)44(61)50-22-30-8-10-32(11-9-30)41-27(2)51-25-65-41/h8-15,25,34-36,42,58H,16-24H2,1-7H3,(H,49,59)(H,50,61)(H,53,60)/t34-,35+,36+,42-/m1/s1
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n/an/an/a 147n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged recombinant human VHL (54 to 213 residues)/elongin C (17 to 112 residues)/elongin B (1 to 104 residues) ex...


J Med Chem 61: 504-513 (2018)


Article DOI: 10.1021/acs.jmedchem.6b01912
BindingDB Entry DOI: 10.7270/Q2R49TC3
More data for this
Ligand-Target Pair
Transcription elongation factor B polypeptide 1


(Homo sapiens (Human))
BDBM50459880
PNG
(CHEMBL4226570)
Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)C[C@@H]2N=C(c3c(C)c(C)sc3-n3c(C)nnc23)c2ccc(Cl)cc2)C(C)(C)C)cc1
Show InChI InChI=1S/C49H60ClN9O8S2/c1-28-30(3)69-48-41(28)42(33-12-14-35(50)15-13-33)54-37(45-57-56-31(4)59(45)48)23-39(61)51-16-17-65-18-19-66-20-21-67-26-40(62)55-44(49(5,6)7)47(64)58-25-36(60)22-38(58)46(63)52-24-32-8-10-34(11-9-32)43-29(2)53-27-68-43/h8-15,27,36-38,44,60H,16-26H2,1-7H3,(H,51,61)(H,52,63)(H,55,62)/t36-,37+,38+,44-/m1/s1
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n/an/an/a 69n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged recombinant human VHL (54 to 213 residues)/elongin C (17 to 112 residues)/elongin B (1 to 104 residues) ex...


J Med Chem 61: 504-513 (2018)


Article DOI: 10.1021/acs.jmedchem.6b01912
BindingDB Entry DOI: 10.7270/Q2R49TC3
More data for this
Ligand-Target Pair
Transcription elongation factor B polypeptide 1


(Homo sapiens (Human))
BDBM50459879
PNG
(CHEMBL4227226)
Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCOCCNC(=O)C[C@@H]2N=C(c3c(C)c(C)sc3-n3c(C)nnc23)c2ccc(Cl)cc2)C(C)(C)C)cc1
Show InChI InChI=1S/C51H64ClN9O9S2/c1-30-32(3)72-50-43(30)44(35-12-14-37(52)15-13-35)56-39(47-59-58-33(4)61(47)50)25-41(63)53-16-17-67-18-19-68-20-21-69-22-23-70-28-42(64)57-46(51(5,6)7)49(66)60-27-38(62)24-40(60)48(65)54-26-34-8-10-36(11-9-34)45-31(2)55-29-71-45/h8-15,29,38-40,46,62H,16-28H2,1-7H3,(H,53,63)(H,54,65)(H,57,64)/t38-,39+,40+,46-/m1/s1
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n/an/an/a 73n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged recombinant human VHL (54 to 213 residues)/elongin C (17 to 112 residues)/elongin B (1 to 104 residues) ex...


J Med Chem 61: 504-513 (2018)


Article DOI: 10.1021/acs.jmedchem.6b01912
BindingDB Entry DOI: 10.7270/Q2R49TC3
More data for this
Ligand-Target Pair
Transcription elongation factor B polypeptide 1


(Homo sapiens (Human))
BDBM50459881
PNG
(CHEMBL4226376)
Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(=O)NCCOCCOCCOCCOCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1scnc1C)C(C)(C)C
Show InChI InChI=1S/C57H70ClN7O10S/c1-36-29-48(62-45-18-16-44(58)17-19-45)47-30-43(15-20-49(47)65(36)38(3)66)40-11-13-42(14-12-40)54(69)59-21-22-72-23-24-73-25-26-74-27-28-75-34-51(68)63-53(57(4,5)6)56(71)64-33-46(67)31-50(64)55(70)60-32-39-7-9-41(10-8-39)52-37(2)61-35-76-52/h7-20,30,35-36,46,48,50,53,62,67H,21-29,31-34H2,1-6H3,(H,59,69)(H,60,70)(H,63,68)/t36-,46+,48+,50-,53+/m0/s1
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n/an/an/a 109n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged recombinant human VHL (54 to 213 residues)/elongin C (17 to 112 residues)/elongin B (1 to 104 residues) ex...


J Med Chem 61: 504-513 (2018)


Article DOI: 10.1021/acs.jmedchem.6b01912
BindingDB Entry DOI: 10.7270/Q2R49TC3
More data for this
Ligand-Target Pair
Transcription elongation factor B polypeptide 1


(Homo sapiens (Human))
BDBM50459942
PNG
(CHEMBL4227864 | US10730870, Example 85)
Show SMILES C[C@H](NC(C)=O)C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1scnc1C
Show InChI InChI=1S/C21H26N4O4S/c1-12-19(30-11-23-12)16-6-4-15(5-7-16)9-22-20(28)18-8-17(27)10-25(18)21(29)13(2)24-14(3)26/h4-7,11,13,17-18,27H,8-10H2,1-3H3,(H,22,28)(H,24,26)/t13-,17+,18-/m0/s1
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n/an/an/a 690n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to VBC complex (unknown origin) assessed as reduction of FAM-labelled HIF1alpha peptide binding by fluorescence polarization assay


Bioorg Med Chem 26: 2992-2995 (2018)


Article DOI: 10.1016/j.bmc.2018.03.034
BindingDB Entry DOI: 10.7270/Q2HX1GB7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transcription elongation factor B polypeptide 1


(Homo sapiens (Human))
BDBM50461568
PNG
(CHEMBL4225198)
Show SMILES C[C@H](NC(C)=O)C(=O)N1C[C@H](O)C[C@H]1C(=S)NCc1ccc(cc1)-c1scnc1C
Show InChI InChI=1S/C21H26N4O3S2/c1-12-19(30-11-23-12)16-6-4-15(5-7-16)9-22-20(29)18-8-17(27)10-25(18)21(28)13(2)24-14(3)26/h4-7,11,13,17-18,27H,8-10H2,1-3H3,(H,22,29)(H,24,26)/t13-,17+,18-/m0/s1
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n/an/an/a 7.07E+3n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to VBC complex (unknown origin) assessed as reduction of FAM-labelled HIF1alpha peptide binding by fluorescence polarization assay


Bioorg Med Chem 26: 2992-2995 (2018)


Article DOI: 10.1016/j.bmc.2018.03.034
BindingDB Entry DOI: 10.7270/Q2HX1GB7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transcription elongation factor B polypeptide 1


(Homo sapiens (Human))
BDBM50461569
PNG
(CHEMBL4228750)
Show SMILES C[C@H](NC(C)=O)C(=S)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1scnc1C
Show InChI InChI=1S/C21H26N4O3S2/c1-12-19(30-11-23-12)16-6-4-15(5-7-16)9-22-20(28)18-8-17(27)10-25(18)21(29)13(2)24-14(3)26/h4-7,11,13,17-18,27H,8-10H2,1-3H3,(H,22,28)(H,24,26)/t13-,17+,18-/m0/s1
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n/an/an/a 760n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to VBC complex (unknown origin) by ITC assay


Bioorg Med Chem 26: 2992-2995 (2018)


Article DOI: 10.1016/j.bmc.2018.03.034
BindingDB Entry DOI: 10.7270/Q2HX1GB7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transcription elongation factor B polypeptide 1


(Homo sapiens (Human))
BDBM50459942
PNG
(CHEMBL4227864 | US10730870, Example 85)
Show SMILES C[C@H](NC(C)=O)C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1scnc1C
Show InChI InChI=1S/C21H26N4O4S/c1-12-19(30-11-23-12)16-6-4-15(5-7-16)9-22-20(28)18-8-17(27)10-25(18)21(29)13(2)24-14(3)26/h4-7,11,13,17-18,27H,8-10H2,1-3H3,(H,22,28)(H,24,26)/t13-,17+,18-/m0/s1
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n/an/an/a 760n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Displacement of FAM-labeled HIF-1alpha peptide from VBC (unknown origin) by fluorescence polarization assay


J Med Chem 61: 599-618 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00675
BindingDB Entry DOI: 10.7270/Q2736TJ6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transcription elongation factor B polypeptide 1


(Homo sapiens (Human))
BDBM50099062
PNG
(CHEMBL3344081 | US10730870, Example 3)
Show SMILES CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1scnc1C)C(C)(C)C
Show InChI InChI=1S/C24H32N4O4S/c1-14-20(33-13-26-14)17-8-6-16(7-9-17)11-25-22(31)19-10-18(30)12-28(19)23(32)21(24(3,4)5)27-15(2)29/h6-9,13,18-19,21,30H,10-12H2,1-5H3,(H,25,31)(H,27,29)/t18-,19+,21-/m1/s1
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n/an/an/a 107n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to VBC (unknown origin) at 50 uM at 20 degC by surface plasmon resonance assay


J Med Chem 61: 599-618 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00675
BindingDB Entry DOI: 10.7270/Q2736TJ6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transcription elongation factor B polypeptide 1


(Homo sapiens (Human))
BDBM50459943
PNG
(CHEMBL4225470)
Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)cc1
Show InChI InChI=1S/C26H33FN4O4S/c1-15-20(36-14-29-15)17-7-5-16(6-8-17)12-28-22(33)19-11-18(32)13-31(19)23(34)21(25(2,3)4)30-24(35)26(27)9-10-26/h5-8,14,18-19,21,32H,9-13H2,1-4H3,(H,28,33)(H,30,35)/t18-,19+,21-/m1/s1
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n/an/an/a 44n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to VHL (unknown origin)/elongin C (unknown origin)/elongin B (unknown origin) by isothermal titration calorimetry-based assay


J Med Chem 61: 599-618 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00675
BindingDB Entry DOI: 10.7270/Q2736TJ6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transcription elongation factor B polypeptide 1


(Homo sapiens (Human))
BDBM50099062
PNG
(CHEMBL3344081 | US10730870, Example 3)
Show SMILES CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1scnc1C)C(C)(C)C
Show InChI InChI=1S/C24H32N4O4S/c1-14-20(33-13-26-14)17-8-6-16(7-9-17)11-25-22(31)19-10-18(30)12-28(19)23(32)21(24(3,4)5)27-15(2)29/h6-9,13,18-19,21,30H,10-12H2,1-5H3,(H,25,31)(H,27,29)/t18-,19+,21-/m1/s1
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n/an/an/a 123n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to VBC (unknown origin) at 50 uM at 10 degC by surface plasmon resonance assay


J Med Chem 61: 599-618 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00675
BindingDB Entry DOI: 10.7270/Q2736TJ6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transcription elongation factor B polypeptide 1


(Homo sapiens (Human))
BDBM50459944
PNG
(CHEMBL4225537)
Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(CC2)C#N)C(C)(C)C)cc1
Show InChI InChI=1S/C27H33N5O4S/c1-16-21(37-15-30-16)18-7-5-17(6-8-18)12-29-23(34)20-11-19(33)13-32(20)24(35)22(26(2,3)4)31-25(36)27(14-28)9-10-27/h5-8,15,19-20,22,33H,9-13H2,1-4H3,(H,29,34)(H,31,36)/t19-,20+,22-/m1/s1
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n/an/an/a 99n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to VBC (unknown origin) at 50 uM at 10 degC by surface plasmon resonance assay


J Med Chem 61: 599-618 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00675
BindingDB Entry DOI: 10.7270/Q2736TJ6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transcription elongation factor B polypeptide 1


(Homo sapiens (Human))
BDBM50459945
PNG
(CHEMBL4229211)
Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2CCC2)C(C)(C)C)cc1
Show InChI InChI=1S/C27H36N4O4S/c1-16-22(36-15-29-16)18-10-8-17(9-11-18)13-28-25(34)21-12-20(32)14-31(21)26(35)23(27(2,3)4)30-24(33)19-6-5-7-19/h8-11,15,19-21,23,32H,5-7,12-14H2,1-4H3,(H,28,34)(H,30,33)/t20-,21+,23-/m1/s1
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n/an/an/a 271n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to VBC (unknown origin) at 50 uM at 10 degC by surface plasmon resonance assay


J Med Chem 61: 599-618 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00675
BindingDB Entry DOI: 10.7270/Q2736TJ6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transcription elongation factor B polypeptide 1


(Homo sapiens (Human))
BDBM50459944
PNG
(CHEMBL4225537)
Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(CC2)C#N)C(C)(C)C)cc1
Show InChI InChI=1S/C27H33N5O4S/c1-16-21(37-15-30-16)18-7-5-17(6-8-18)12-29-23(34)20-11-19(33)13-32(20)24(35)22(26(2,3)4)31-25(36)27(14-28)9-10-27/h5-8,15,19-20,22,33H,9-13H2,1-4H3,(H,29,34)(H,31,36)/t19-,20+,22-/m1/s1
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n/an/an/a 52n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to VBC (unknown origin) at 50 uM at 20 degC by surface plasmon resonance assay


J Med Chem 61: 599-618 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00675
BindingDB Entry DOI: 10.7270/Q2736TJ6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transcription elongation factor B polypeptide 1


(Homo sapiens (Human))
BDBM50459945
PNG
(CHEMBL4229211)
Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2CCC2)C(C)(C)C)cc1
Show InChI InChI=1S/C27H36N4O4S/c1-16-22(36-15-29-16)18-10-8-17(9-11-18)13-28-25(34)21-12-20(32)14-31(21)26(35)23(27(2,3)4)30-24(33)19-6-5-7-19/h8-11,15,19-21,23,32H,5-7,12-14H2,1-4H3,(H,28,34)(H,30,33)/t20-,21+,23-/m1/s1
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n/an/an/a 233n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to VBC (unknown origin) at 50 uM at 20 degC by surface plasmon resonance assay


J Med Chem 61: 599-618 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00675
BindingDB Entry DOI: 10.7270/Q2736TJ6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transcription elongation factor B polypeptide 1


(Homo sapiens (Human))
BDBM50459946
PNG
(CHEMBL4224862)
Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)cc1
Show InChI InChI=1S/C27H38N4O5S/c1-16-21(37-15-29-16)18-10-8-17(9-11-18)13-28-23(33)20-12-19(32)14-31(20)24(34)22(26(2,3)4)30-25(35)36-27(5,6)7/h8-11,15,19-20,22,32H,12-14H2,1-7H3,(H,28,33)(H,30,35)/t19-,20+,22-/m1/s1
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n/an/an/a 6.50E+3n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Displacement of FAM-labeled HIF-1alpha peptide from VBC (unknown origin) by fluorescence polarization assay


J Med Chem 61: 599-618 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00675
BindingDB Entry DOI: 10.7270/Q2736TJ6
More data for this
Ligand-Target Pair
Transcription elongation factor B polypeptide 1


(Homo sapiens (Human))
BDBM50459947
PNG
(CHEMBL4225856)
Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CO)C(C)(C)C)cc1
Show InChI InChI=1S/C24H32N4O5S/c1-14-20(34-13-26-14)16-7-5-15(6-8-16)10-25-22(32)18-9-17(30)11-28(18)23(33)21(24(2,3)4)27-19(31)12-29/h5-8,13,17-18,21,29-30H,9-12H2,1-4H3,(H,25,32)(H,27,31)/t17-,18+,21-/m1/s1
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n/an/an/a 200n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Displacement of FAM-labeled HIF-1alpha peptide from VBC (unknown origin) by fluorescence polarization assay


J Med Chem 61: 599-618 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00675
BindingDB Entry DOI: 10.7270/Q2736TJ6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transcription elongation factor B polypeptide 1


(Homo sapiens (Human))
BDBM50459948
PNG
(CHEMBL4228328 | US10730870, Example 12)
Show SMILES CCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1scnc1C)C(C)(C)C
Show InChI InChI=1S/C25H34N4O4S/c1-6-20(31)28-22(25(3,4)5)24(33)29-13-18(30)11-19(29)23(32)26-12-16-7-9-17(10-8-16)21-15(2)27-14-34-21/h7-10,14,18-19,22,30H,6,11-13H2,1-5H3,(H,26,32)(H,28,31)/t18-,19+,22-/m1/s1
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n/an/an/a 350n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Displacement of FAM-labeled HIF-1alpha peptide from VBC (unknown origin) by fluorescence polarization assay


J Med Chem 61: 599-618 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00675
BindingDB Entry DOI: 10.7270/Q2736TJ6
More data for this
Ligand-Target Pair
Transcription elongation factor B polypeptide 1


(Homo sapiens (Human))
BDBM50459949
PNG
(CHEMBL4227893)
Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2CC2)C(C)(C)C)cc1
Show InChI InChI=1S/C26H34N4O4S/c1-15-21(35-14-28-15)17-7-5-16(6-8-17)12-27-24(33)20-11-19(31)13-30(20)25(34)22(26(2,3)4)29-23(32)18-9-10-18/h5-8,14,18-20,22,31H,9-13H2,1-4H3,(H,27,33)(H,29,32)/t19-,20+,22-/m1/s1
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n/an/an/a 170n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Displacement of FAM-labeled HIF-1alpha peptide from VBC (unknown origin) by fluorescence polarization assay


J Med Chem 61: 599-618 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00675
BindingDB Entry DOI: 10.7270/Q2736TJ6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transcription elongation factor B polypeptide 1


(Homo sapiens (Human))
BDBM50459950
PNG
(CHEMBL4228963)
Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C(F)(F)F)C(C)(C)C)cc1
Show InChI InChI=1S/C24H29F3N4O4S/c1-13-18(36-12-29-13)15-7-5-14(6-8-15)10-28-20(33)17-9-16(32)11-31(17)21(34)19(23(2,3)4)30-22(35)24(25,26)27/h5-8,12,16-17,19,32H,9-11H2,1-4H3,(H,28,33)(H,30,35)/t16-,17+,19-/m1/s1
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n/an/an/a 270n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Displacement of FAM-labeled HIF-1alpha peptide from VBC (unknown origin) by fluorescence polarization assay


J Med Chem 61: 599-618 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00675
BindingDB Entry DOI: 10.7270/Q2736TJ6
More data for this
Ligand-Target Pair
Transcription elongation factor B polypeptide 1


(Homo sapiens (Human))
BDBM50459951
PNG
(CHEMBL4229225)
Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C(C)(C)F)C(C)(C)C)cc1
Show InChI InChI=1S/C26H35FN4O4S/c1-15-20(36-14-29-15)17-9-7-16(8-10-17)12-28-22(33)19-11-18(32)13-31(19)23(34)21(25(2,3)4)30-24(35)26(5,6)27/h7-10,14,18-19,21,32H,11-13H2,1-6H3,(H,28,33)(H,30,35)/t18-,19+,21-/m1/s1
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n/an/an/a 770n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Displacement of FAM-labeled HIF-1alpha peptide from VBC (unknown origin) by fluorescence polarization assay


J Med Chem 61: 599-618 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00675
BindingDB Entry DOI: 10.7270/Q2736TJ6
More data for this
Ligand-Target Pair
Transcription elongation factor B polypeptide 1


(Homo sapiens (Human))
BDBM50459952
PNG
(CHEMBL4226127 | US10730870, Example 108)
Show SMILES CN([C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1scnc1C)C(C)(C)C)C(C)=O
Show InChI InChI=1S/C25H34N4O4S/c1-15-21(34-14-27-15)18-9-7-17(8-10-18)12-26-23(32)20-11-19(31)13-29(20)24(33)22(25(3,4)5)28(6)16(2)30/h7-10,14,19-20,22,31H,11-13H2,1-6H3,(H,26,32)/t19-,20+,22-/m1/s1
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n/an/an/a 5.50E+3n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Displacement of FAM-labeled HIF-1alpha peptide from VBC (unknown origin) by fluorescence polarization assay


J Med Chem 61: 599-618 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00675
BindingDB Entry DOI: 10.7270/Q2736TJ6
More data for this
Ligand-Target Pair
Transcription elongation factor B polypeptide 1


(Homo sapiens (Human))
BDBM50459953
PNG
(CHEMBL4228692)
Show SMILES C[C@@H](O)[C@H](NC(=O)C1(F)CC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1scnc1C
Show InChI InChI=1S/C24H29FN4O5S/c1-13-20(35-12-27-13)16-5-3-15(4-6-16)10-26-21(32)18-9-17(31)11-29(18)22(33)19(14(2)30)28-23(34)24(25)7-8-24/h3-6,12,14,17-19,30-31H,7-11H2,1-2H3,(H,26,32)(H,28,34)/t14-,17-,18+,19+/m1/s1
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n/an/an/a 370n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Displacement of FAM-labeled HIF-1alpha peptide from VBC (unknown origin) by fluorescence polarization assay


J Med Chem 61: 599-618 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00675
BindingDB Entry DOI: 10.7270/Q2736TJ6
More data for this
Ligand-Target Pair
Transcription elongation factor B polypeptide 1


(Homo sapiens (Human))
BDBM50459954
PNG
(CHEMBL4228950)
Show SMILES CC(=O)C1(CC1)C(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1scnc1C)C(C)(C)C
Show InChI InChI=1S/C28H36N4O5S/c1-16-22(38-15-30-16)19-8-6-18(7-9-19)13-29-24(35)21-12-20(34)14-32(21)25(36)23(27(3,4)5)31-26(37)28(10-11-28)17(2)33/h6-9,15,20-21,23,34H,10-14H2,1-5H3,(H,29,35)(H,31,37)/t20-,21+,23-/m1/s1
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University of Dundee

Curated by ChEMBL


Assay Description
Displacement of FAM-labeled HIF-1alpha peptide from VBC (unknown origin) by fluorescence polarization assay


J Med Chem 61: 599-618 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00675
BindingDB Entry DOI: 10.7270/Q2736TJ6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transcription elongation factor B polypeptide 1


(Homo sapiens (Human))
BDBM50459955
PNG
(CHEMBL4228624)
Show SMILES CC(=O)NC1(CC1)C(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1scnc1C)C(C)(C)C
Show InChI InChI=1S/C28H37N5O5S/c1-16-22(39-15-30-16)19-8-6-18(7-9-19)13-29-24(36)21-12-20(35)14-33(21)25(37)23(27(3,4)5)31-26(38)28(10-11-28)32-17(2)34/h6-9,15,20-21,23,35H,10-14H2,1-5H3,(H,29,36)(H,31,38)(H,32,34)/t20-,21+,23-/m1/s1
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n/an/an/a 300n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Displacement of FAM-labeled HIF-1alpha peptide from VBC (unknown origin) by fluorescence polarization assay


J Med Chem 61: 599-618 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00675
BindingDB Entry DOI: 10.7270/Q2736TJ6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transcription elongation factor B polypeptide 1


(Homo sapiens (Human))
BDBM50459956
PNG
(CHEMBL4224868)
Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2CC(=O)C2)C(C)(C)C)cc1
Show InChI InChI=1S/C27H34N4O5S/c1-15-22(37-14-29-15)17-7-5-16(6-8-17)12-28-25(35)21-11-20(33)13-31(21)26(36)23(27(2,3)4)30-24(34)18-9-19(32)10-18/h5-8,14,18,20-21,23,33H,9-13H2,1-4H3,(H,28,35)(H,30,34)/t20-,21+,23-/m1/s1
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n/an/an/a 500n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Displacement of FAM-labeled HIF-1alpha peptide from VBC (unknown origin) by fluorescence polarization assay


J Med Chem 61: 599-618 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00675
BindingDB Entry DOI: 10.7270/Q2736TJ6
More data for this
Ligand-Target Pair
Transcription elongation factor B polypeptide 1


(Homo sapiens (Human))
BDBM50099062
PNG
(CHEMBL3344081 | US10730870, Example 3)
Show SMILES CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1scnc1C)C(C)(C)C
Show InChI InChI=1S/C24H32N4O4S/c1-14-20(33-13-26-14)17-8-6-16(7-9-17)11-25-22(31)19-10-18(30)12-28(19)23(32)21(24(3,4)5)27-15(2)29/h6-9,13,18-19,21,30H,10-12H2,1-5H3,(H,25,31)(H,27,29)/t18-,19+,21-/m1/s1
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n/an/an/a 185n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to VHL (unknown origin)/elongin C (unknown origin)/elongin B (unknown origin) by isothermal titration calorimetry-based assay


J Med Chem 61: 599-618 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00675
BindingDB Entry DOI: 10.7270/Q2736TJ6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transcription elongation factor B polypeptide 1


(Homo sapiens (Human))
BDBM50459947
PNG
(CHEMBL4225856)
Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CO)C(C)(C)C)cc1
Show InChI InChI=1S/C24H32N4O5S/c1-14-20(34-13-26-14)16-7-5-15(6-8-16)10-25-22(32)18-9-17(30)11-28(18)23(33)21(24(2,3)4)27-19(31)12-29/h5-8,13,17-18,21,29-30H,9-12H2,1-4H3,(H,25,32)(H,27,31)/t17-,18+,21-/m1/s1
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n/an/an/a 105n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to VHL (unknown origin)/elongin C (unknown origin)/elongin B (unknown origin) by isothermal titration calorimetry-based assay


J Med Chem 61: 599-618 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00675
BindingDB Entry DOI: 10.7270/Q2736TJ6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transcription elongation factor B polypeptide 1


(Homo sapiens (Human))
BDBM50459955
PNG
(CHEMBL4228624)
Show SMILES CC(=O)NC1(CC1)C(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1scnc1C)C(C)(C)C
Show InChI InChI=1S/C28H37N5O5S/c1-16-22(39-15-30-16)19-8-6-18(7-9-19)13-29-24(36)21-12-20(35)14-33(21)25(37)23(27(3,4)5)31-26(38)28(10-11-28)32-17(2)34/h6-9,15,20-21,23,35H,10-14H2,1-5H3,(H,29,36)(H,31,38)(H,32,34)/t20-,21+,23-/m1/s1
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n/an/an/a 138n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to VHL (unknown origin)/elongin C (unknown origin)/elongin B (unknown origin) by isothermal titration calorimetry-based assay


J Med Chem 61: 599-618 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00675
BindingDB Entry DOI: 10.7270/Q2736TJ6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transcription elongation factor B polypeptide 1


(Homo sapiens (Human))
BDBM50459945
PNG
(CHEMBL4229211)
Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2CCC2)C(C)(C)C)cc1
Show InChI InChI=1S/C27H36N4O4S/c1-16-22(36-15-29-16)18-10-8-17(9-11-18)13-28-25(34)21-12-20(32)14-31(21)26(35)23(27(2,3)4)30-24(33)19-6-5-7-19/h8-11,15,19-21,23,32H,5-7,12-14H2,1-4H3,(H,28,34)(H,30,33)/t20-,21+,23-/m1/s1
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n/an/an/a 210n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to VHL (unknown origin)/elongin C (unknown origin)/elongin B (unknown origin) by isothermal titration calorimetry-based assay


J Med Chem 61: 599-618 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00675
BindingDB Entry DOI: 10.7270/Q2736TJ6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transcription elongation factor B polypeptide 1


(Homo sapiens (Human))
BDBM50099062
PNG
(CHEMBL3344081 | US10730870, Example 3)
Show SMILES CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1scnc1C)C(C)(C)C
Show InChI InChI=1S/C24H32N4O4S/c1-14-20(33-13-26-14)17-8-6-16(7-9-17)11-25-22(31)19-10-18(30)12-28(19)23(32)21(24(3,4)5)27-15(2)29/h6-9,13,18-19,21,30H,10-12H2,1-5H3,(H,25,31)(H,27,29)/t18-,19+,21-/m1/s1
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n/an/an/a 150n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Displacement of FAM-labeled HIF-1alpha peptide from VBC (unknown origin) by fluorescence polarization assay


J Med Chem 61: 599-618 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00675
BindingDB Entry DOI: 10.7270/Q2736TJ6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transcription elongation factor B polypeptide 1


(Homo sapiens (Human))
BDBM50459943
PNG
(CHEMBL4225470)
Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)cc1
Show InChI InChI=1S/C26H33FN4O4S/c1-15-20(36-14-29-15)17-7-5-16(6-8-17)12-28-22(33)19-11-18(32)13-31(19)23(34)21(25(2,3)4)30-24(35)26(27)9-10-26/h5-8,14,18-19,21,32H,9-13H2,1-4H3,(H,28,33)(H,30,35)/t18-,19+,21-/m1/s1
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n/an/an/a 90n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Displacement of FAM-labeled HIF-1alpha peptide from VBC (unknown origin) by fluorescence polarization assay


J Med Chem 61: 599-618 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00675
BindingDB Entry DOI: 10.7270/Q2736TJ6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transcription elongation factor B polypeptide 1


(Homo sapiens (Human))
BDBM50459945
PNG
(CHEMBL4229211)
Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2CCC2)C(C)(C)C)cc1
Show InChI InChI=1S/C27H36N4O4S/c1-16-22(36-15-29-16)18-10-8-17(9-11-18)13-28-25(34)21-12-20(32)14-31(21)26(35)23(27(2,3)4)30-24(33)19-6-5-7-19/h8-11,15,19-21,23,32H,5-7,12-14H2,1-4H3,(H,28,34)(H,30,33)/t20-,21+,23-/m1/s1
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n/an/an/a 250n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Displacement of FAM-labeled HIF-1alpha peptide from VBC (unknown origin) by fluorescence polarization assay


J Med Chem 61: 599-618 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00675
BindingDB Entry DOI: 10.7270/Q2736TJ6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transcription elongation factor B polypeptide 1


(Homo sapiens (Human))
BDBM50459943
PNG
(CHEMBL4225470)
Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)cc1
Show InChI InChI=1S/C26H33FN4O4S/c1-15-20(36-14-29-15)17-7-5-16(6-8-17)12-28-22(33)19-11-18(32)13-31(19)23(34)21(25(2,3)4)30-24(35)26(27)9-10-26/h5-8,14,18-19,21,32H,9-13H2,1-4H3,(H,28,33)(H,30,35)/t18-,19+,21-/m1/s1
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n/an/an/a 16n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to VBC (unknown origin) at 50 uM at 20 degC by surface plasmon resonance assay


J Med Chem 61: 599-618 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00675
BindingDB Entry DOI: 10.7270/Q2736TJ6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transcription elongation factor B polypeptide 1


(Homo sapiens (Human))
BDBM50459957
PNG
(CHEMBL4229276)
Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](N2CCCC2=O)C(C)(C)C)cc1
Show InChI InChI=1S/C26H34N4O4S/c1-16-22(35-15-28-16)18-9-7-17(8-10-18)13-27-24(33)20-12-19(31)14-30(20)25(34)23(26(2,3)4)29-11-5-6-21(29)32/h7-10,15,19-20,23,31H,5-6,11-14H2,1-4H3,(H,27,33)/t19-,20+,23-/m1/s1
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n/an/an/a 1.40E+3n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Displacement of FAM-labeled HIF-1alpha peptide from VBC (unknown origin) by fluorescence polarization assay


J Med Chem 61: 599-618 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00675
BindingDB Entry DOI: 10.7270/Q2736TJ6
More data for this
Ligand-Target Pair
Transcription elongation factor B polypeptide 1


(Homo sapiens (Human))
BDBM50459958
PNG
(CHEMBL4225985)
Show SMILES CC(=O)N1CC(C1)C(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1scnc1C)C(C)(C)C
Show InChI InChI=1S/C28H37N5O5S/c1-16-23(39-15-30-16)19-8-6-18(7-9-19)11-29-26(37)22-10-21(35)14-33(22)27(38)24(28(3,4)5)31-25(36)20-12-32(13-20)17(2)34/h6-9,15,20-22,24,35H,10-14H2,1-5H3,(H,29,37)(H,31,36)/t21-,22+,24-/m1/s1
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n/an/an/a 4.90E+3n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Displacement of FAM-labeled HIF-1alpha peptide from VBC (unknown origin) by fluorescence polarization assay


J Med Chem 61: 599-618 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00675
BindingDB Entry DOI: 10.7270/Q2736TJ6
More data for this
Ligand-Target Pair
Transcription elongation factor B polypeptide 1


(Homo sapiens (Human))
BDBM50459949
PNG
(CHEMBL4227893)
Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2CC2)C(C)(C)C)cc1
Show InChI InChI=1S/C26H34N4O4S/c1-15-21(35-14-28-15)17-7-5-16(6-8-17)12-27-24(33)20-11-19(31)13-30(20)25(34)22(26(2,3)4)29-23(32)18-9-10-18/h5-8,14,18-20,22,31H,9-13H2,1-4H3,(H,27,33)(H,29,32)/t19-,20+,22-/m1/s1
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n/an/an/a 132n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to VHL (unknown origin)/elongin C (unknown origin)/elongin B (unknown origin) by isothermal titration calorimetry-based assay


J Med Chem 61: 599-618 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00675
BindingDB Entry DOI: 10.7270/Q2736TJ6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transcription elongation factor B polypeptide 1


(Homo sapiens (Human))
BDBM50459954
PNG
(CHEMBL4228950)
Show SMILES CC(=O)C1(CC1)C(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1scnc1C)C(C)(C)C
Show InChI InChI=1S/C28H36N4O5S/c1-16-22(38-15-30-16)19-8-6-18(7-9-19)13-29-24(35)21-12-20(34)14-32(21)25(36)23(27(3,4)5)31-26(37)28(10-11-28)17(2)33/h6-9,15,20-21,23,34H,10-14H2,1-5H3,(H,29,35)(H,31,37)/t20-,21+,23-/m1/s1
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n/an/an/a 106n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to VHL (unknown origin)/elongin C (unknown origin)/elongin B (unknown origin) by isothermal titration calorimetry-based assay


J Med Chem 61: 599-618 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00675
BindingDB Entry DOI: 10.7270/Q2736TJ6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transcription elongation factor B polypeptide 1


(Homo sapiens (Human))
BDBM50459959
PNG
(CHEMBL4225145)
Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)cc1
Show InChI InChI=1S/C28H40N4O4S/c1-17-23(37-16-30-17)19-10-8-18(9-11-19)14-29-25(35)21-12-20(33)15-32(21)26(36)24(28(5,6)7)31-22(34)13-27(2,3)4/h8-11,16,20-21,24,33H,12-15H2,1-7H3,(H,29,35)(H,31,34)/t20-,21+,24-/m1/s1
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n/an/an/a 450n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Displacement of FAM-labeled HIF-1alpha peptide from VBC (unknown origin) by fluorescence polarization assay


J Med Chem 61: 599-618 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00675
BindingDB Entry DOI: 10.7270/Q2736TJ6
More data for this
Ligand-Target Pair
Transcription elongation factor B polypeptide 1


(Homo sapiens (Human))
BDBM50459960
PNG
(CHEMBL4225199)
Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C(Cl)(Cl)Cl)C(C)(C)C)cc1
Show InChI InChI=1S/C24H29Cl3N4O4S/c1-13-18(36-12-29-13)15-7-5-14(6-8-15)10-28-20(33)17-9-16(32)11-31(17)21(34)19(23(2,3)4)30-22(35)24(25,26)27/h5-8,12,16-17,19,32H,9-11H2,1-4H3,(H,28,33)(H,30,35)/t16-,17+,19-/m1/s1
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n/an/an/a 200n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Displacement of FAM-labeled HIF-1alpha peptide from VBC (unknown origin) by fluorescence polarization assay


J Med Chem 61: 599-618 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00675
BindingDB Entry DOI: 10.7270/Q2736TJ6
More data for this
Ligand-Target Pair
Transcription elongation factor B polypeptide 1


(Homo sapiens (Human))
BDBM50459944
PNG
(CHEMBL4225537)
Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(CC2)C#N)C(C)(C)C)cc1
Show InChI InChI=1S/C27H33N5O4S/c1-16-21(37-15-30-16)18-7-5-17(6-8-18)12-29-23(34)20-11-19(33)13-32(20)24(35)22(26(2,3)4)31-25(36)27(14-28)9-10-27/h5-8,15,19-20,22,33H,9-13H2,1-4H3,(H,29,34)(H,31,36)/t19-,20+,22-/m1/s1
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n/an/an/a 80n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Displacement of FAM-labeled HIF-1alpha peptide from VBC (unknown origin) by fluorescence polarization assay


J Med Chem 61: 599-618 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00675
BindingDB Entry DOI: 10.7270/Q2736TJ6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transcription elongation factor B polypeptide 1


(Homo sapiens (Human))
BDBM50459961
PNG
(CHEMBL4225714)
Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2COC2)C(C)(C)C)cc1
Show InChI InChI=1S/C26H34N4O5S/c1-15-21(36-14-28-15)17-7-5-16(6-8-17)10-27-24(33)20-9-19(31)11-30(20)25(34)22(26(2,3)4)29-23(32)18-12-35-13-18/h5-8,14,18-20,22,31H,9-13H2,1-4H3,(H,27,33)(H,29,32)/t19-,20+,22-/m1/s1
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n/an/an/a 320n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Displacement of FAM-labeled HIF-1alpha peptide from VBC (unknown origin) by fluorescence polarization assay


J Med Chem 61: 599-618 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00675
BindingDB Entry DOI: 10.7270/Q2736TJ6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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