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Compile Data Set for Download or QSAR

Found 12 hits of ic50 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
von Hippel-Lindau disease tumor suppressor/Elongin-C/Elongin-B/HIF1A


(Homo sapiens (Human))
BDBM50459896
PNG
(CHEMBL4226250)
Show SMILES CN(CCCNc1nc(Nc2ccc(OCCCOCCCCOCCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)cc2)ncc1C1CC1)C(=O)C1CCC1
Show InChI InChI=1S/C56H79N9O9S/c1-38-49(75-37-60-38)41-16-14-39(15-17-41)33-58-52(68)47-32-44(66)35-65(47)54(70)50(56(2,3)4)62-48(67)36-73-30-10-28-71-26-6-7-27-72-29-11-31-74-45-22-20-43(21-23-45)61-55-59-34-46(40-18-19-40)51(63-55)57-24-9-25-64(5)53(69)42-12-8-13-42/h14-17,20-23,34,37,40,42,44,47,50,66H,6-13,18-19,24-33,35-36H2,1-5H3,(H,58,68)(H,62,67)(H2,57,59,61,63)/t44-,47+,50-/m1/s1
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n/an/a 800n/an/an/an/an/an/a



Arvinas LLC

Curated by ChEMBL


Assay Description
Inhibition of His-tagged VHL/elongin B/elongin C (unknown origin) interaction with HIF1alpha preincubated for 10 mins followed by fluorescin labelled...


J Med Chem 61: 583-598 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00635
BindingDB Entry DOI: 10.7270/Q2GM89ZG
More data for this
Ligand-Target Pair
von Hippel-Lindau disease tumor suppressor/Elongin-C/Elongin-B/HIF1A


(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/a 800n/an/an/an/an/an/a



Arvinas LLC

Curated by ChEMBL


Assay Description
Inhibition of His-tagged VHL/elongin B/elongin C (unknown origin) interaction with HIF1alpha preincubated for 10 mins followed by fluorescin labelled...


J Med Chem 61: 583-598 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00635
BindingDB Entry DOI: 10.7270/Q2GM89ZG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transcription elongation factor B polypeptide 1


(Homo sapiens (Human))
BDBM50014097
PNG
(CHEMBL3260851)
Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)c2cccc(N)c2C)cc1
Show InChI InChI=1S/C24H26N4O3S/c1-14-19(4-3-5-20(14)25)24(31)28-12-18(29)10-21(28)23(30)26-11-16-6-8-17(9-7-16)22-15(2)27-13-32-22/h3-9,13,18,21,29H,10-12,25H2,1-2H3,(H,26,30)/t18-,21+/m1/s1
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n/an/a 900n/an/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 fluorescence polarization assay


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))
BDBM50446138
PNG
(CHEMBL3108881)
Show SMILES Cc1cc(CC(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(cc2)-c2cnco2)on1
Show InChI InChI=1S/C21H22N4O5/c1-13-6-17(30-24-13)8-20(27)25-11-16(26)7-18(25)21(28)23-9-14-2-4-15(5-3-14)19-10-22-12-29-19/h2-6,10,12,16,18,26H,7-9,11H2,1H3,(H,23,28)/t16-,18+/m1/s1
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n/an/a 4.10E+3n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Displacement of FAM-DEALAHyp-YIPD from 6xHis-tagged VHL (1 to 213)/elongins-B/elonginC (unknown origin) expressed in Escherichia coli BL21 after 1 mi...


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)
von Hippel-Lindau disease tumor suppressor/Elongin-C/Elongin-B/HIF1A


(Homo sapiens (Human))
BDBM50459898
PNG
(CHEMBL4227907)
Show SMILES CN(CCCNc1nc(Nc2ccc(OCCCOCCCCOCCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)cc2)ncc1Br)C(=O)C1CCC1
Show InChI InChI=1S/C53H74BrN9O9S/c1-36-46(73-35-58-36)38-16-14-37(15-17-38)31-56-49(66)44-30-41(64)33-63(44)51(68)47(53(2,3)4)60-45(65)34-71-28-10-26-69-24-6-7-25-70-27-11-29-72-42-20-18-40(19-21-42)59-52-57-32-43(54)48(61-52)55-22-9-23-62(5)50(67)39-12-8-13-39/h14-21,32,35,39,41,44,47,64H,6-13,22-31,33-34H2,1-5H3,(H,56,66)(H,60,65)(H2,55,57,59,61)/t41-,44+,47-/m1/s1
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n/an/a 4.90E+3n/an/an/an/an/an/a



Arvinas LLC

Curated by ChEMBL


Assay Description
Inhibition of His-tagged VHL/elongin B/elongin C (unknown origin) interaction with HIF1alpha preincubated for 10 mins followed by fluorescin labelled...


J Med Chem 61: 583-598 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00635
BindingDB Entry DOI: 10.7270/Q2GM89ZG
More data for this
Ligand-Target Pair
von Hippel-Lindau disease tumor suppressor/Elongin-C/Elongin-B/HIF1A


(Homo sapiens (Human))
BDBM50459907
PNG
(CHEMBL4225691)
Show SMILES CC(C)[C@H](NC(=O)COCCCOCCCCOCCCOc1ccc(Nc2ncc(Br)c(NCCCN(C)C(=O)C3CCC3)n2)cc1)C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1scnc1C
Show InChI InChI=1S/C52H72BrN9O9S/c1-35(2)46(51(67)62-32-41(63)29-44(62)49(65)55-30-37-13-15-38(16-14-37)47-36(3)57-34-72-47)59-45(64)33-70-27-9-25-68-23-5-6-24-69-26-10-28-71-42-19-17-40(18-20-42)58-52-56-31-43(53)48(60-52)54-21-8-22-61(4)50(66)39-11-7-12-39/h13-20,31,34-35,39,41,44,46,63H,5-12,21-30,32-33H2,1-4H3,(H,55,65)(H,59,64)(H2,54,56,58,60)/t41-,44+,46+/m1/s1
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n/an/a 5.50E+3n/an/an/an/an/an/a



Arvinas LLC

Curated by ChEMBL


Assay Description
Inhibition of His-tagged VHL/elongin B/elongin C (unknown origin) interaction with HIF1alpha preincubated for 10 mins followed by fluorescin labelled...


J Med Chem 61: 583-598 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00635
BindingDB Entry DOI: 10.7270/Q2GM89ZG
More data for this
Ligand-Target Pair
von Hippel-Lindau disease tumor suppressor/Elongin-C/Elongin-B/HIF1A


(Homo sapiens (Human))
BDBM50459913
PNG
(CHEMBL4227623)
Show SMILES CC[C@H](NC(=O)COCCCOCCCCOCCCOc1ccc(Nc2ncc(Br)c(NCCCN(C)C(=O)C3CCC3)n2)cc1)C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1scnc1C
Show InChI InChI=1S/C51H70BrN9O9S/c1-4-43(50(66)61-32-40(62)29-44(61)48(64)54-30-36-13-15-37(16-14-36)46-35(2)56-34-71-46)58-45(63)33-69-27-9-25-67-23-5-6-24-68-26-10-28-70-41-19-17-39(18-20-41)57-51-55-31-42(52)47(59-51)53-21-8-22-60(3)49(65)38-11-7-12-38/h13-20,31,34,38,40,43-44,62H,4-12,21-30,32-33H2,1-3H3,(H,54,64)(H,58,63)(H2,53,55,57,59)/t40-,43+,44+/m1/s1
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n/an/a 9.90E+3n/an/an/an/an/an/a



Arvinas LLC

Curated by ChEMBL


Assay Description
Inhibition of His-tagged VHL/elongin B/elongin C (unknown origin) interaction with HIF1alpha preincubated for 10 mins followed by fluorescin labelled...


J Med Chem 61: 583-598 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00635
BindingDB Entry DOI: 10.7270/Q2GM89ZG
More data for this
Ligand-Target Pair
von Hippel-Lindau disease tumor suppressor/Elongin-C/Elongin-B/HIF1A


(Homo sapiens (Human))
BDBM50459906
PNG
(CHEMBL4226773)
Show SMILES CCC[C@H](NC(=O)COCCCOCCCCOCCCOc1ccc(Nc2ncc(Br)c(NCCCN(C)C(=O)C3CCC3)n2)cc1)C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1scnc1C
Show InChI InChI=1S/C52H72BrN9O9S/c1-4-11-44(51(67)62-33-41(63)30-45(62)49(65)55-31-37-14-16-38(17-15-37)47-36(2)57-35-72-47)59-46(64)34-70-28-9-26-68-24-5-6-25-69-27-10-29-71-42-20-18-40(19-21-42)58-52-56-32-43(53)48(60-52)54-22-8-23-61(3)50(66)39-12-7-13-39/h14-21,32,35,39,41,44-45,63H,4-13,22-31,33-34H2,1-3H3,(H,55,65)(H,59,64)(H2,54,56,58,60)/t41-,44+,45+/m1/s1
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n/an/a 1.60E+4n/an/an/an/an/an/a



Arvinas LLC

Curated by ChEMBL


Assay Description
Inhibition of His-tagged VHL/elongin B/elongin C (unknown origin) interaction with HIF1alpha preincubated for 10 mins followed by fluorescin labelled...


J Med Chem 61: 583-598 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00635
BindingDB Entry DOI: 10.7270/Q2GM89ZG
More data for this
Ligand-Target Pair
von Hippel-Lindau disease tumor suppressor/Elongin-C/Elongin-B/HIF1A


(Homo sapiens (Human))
BDBM50459899
PNG
(CHEMBL4226398)
Show SMILES C[C@H](NC(=O)COCCCOCCCCOCCCOc1ccc(Nc2ncc(Br)c(NCCCN(C)C(=O)C3CCC3)n2)cc1)C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1scnc1C
Show InChI InChI=1S/C50H68BrN9O9S/c1-34-45(70-33-55-34)37-14-12-36(13-15-37)29-53-47(63)43-28-40(61)31-60(43)48(64)35(2)56-44(62)32-68-26-8-24-66-22-4-5-23-67-25-9-27-69-41-18-16-39(17-19-41)57-50-54-30-42(51)46(58-50)52-20-7-21-59(3)49(65)38-10-6-11-38/h12-19,30,33,35,38,40,43,61H,4-11,20-29,31-32H2,1-3H3,(H,53,63)(H,56,62)(H2,52,54,57,58)/t35-,40+,43-/m0/s1
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n/an/a 2.50E+4n/an/an/an/an/an/a



Arvinas LLC

Curated by ChEMBL


Assay Description
Inhibition of His-tagged VHL/elongin B/elongin C (unknown origin) interaction with HIF1alpha preincubated for 10 mins followed by fluorescin labelled...


J Med Chem 61: 583-598 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00635
BindingDB Entry DOI: 10.7270/Q2GM89ZG
More data for this
Ligand-Target Pair
von Hippel-Lindau disease tumor suppressor/Elongin-C/Elongin-B/HIF1A


(Homo sapiens (Human))
BDBM50459909
PNG
(CHEMBL4226693)
Show SMILES CN(CCCNc1nc(Nc2ccc(OCCCOCCCCOCCCOCC(=O)N[C@H](C(=O)N3C[C@@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)cc2)ncc1Br)C(=O)C1CCC1
Show InChI InChI=1S/C53H74BrN9O9S/c1-36-46(73-35-58-36)38-16-14-37(15-17-38)31-56-49(66)44-30-41(64)33-63(44)51(68)47(53(2,3)4)60-45(65)34-71-28-10-26-69-24-6-7-25-70-27-11-29-72-42-20-18-40(19-21-42)59-52-57-32-43(54)48(61-52)55-22-9-23-62(5)50(67)39-12-8-13-39/h14-21,32,35,39,41,44,47,64H,6-13,22-31,33-34H2,1-5H3,(H,56,66)(H,60,65)(H2,55,57,59,61)/t41-,44-,47+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Arvinas LLC

Curated by ChEMBL


Assay Description
Inhibition of His-tagged VHL/elongin B/elongin C (unknown origin) interaction with HIF1alpha preincubated for 10 mins followed by fluorescin labelled...


J Med Chem 61: 583-598 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00635
BindingDB Entry DOI: 10.7270/Q2GM89ZG
More data for this
Ligand-Target Pair
von Hippel-Lindau disease tumor suppressor/Elongin-C/Elongin-B/HIF1A


(Homo sapiens (Human))
BDBM50459905
PNG
(CHEMBL4227365)
Show SMILES CN(CCCNc1nc(Nc2ccc(OCCCOCCCCOCCCOCC(=O)NCC(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)cc2)ncc1Br)C(=O)C1CCC1
Show InChI InChI=1S/C49H66BrN9O9S/c1-34-45(69-33-55-34)36-13-11-35(12-14-36)28-53-47(63)42-27-39(60)31-59(42)44(62)30-52-43(61)32-67-25-7-23-65-21-3-4-22-66-24-8-26-68-40-17-15-38(16-18-40)56-49-54-29-41(50)46(57-49)51-19-6-20-58(2)48(64)37-9-5-10-37/h11-18,29,33,37,39,42,60H,3-10,19-28,30-32H2,1-2H3,(H,52,61)(H,53,63)(H2,51,54,56,57)/t39-,42+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Arvinas LLC

Curated by ChEMBL


Assay Description
Inhibition of His-tagged VHL/elongin B/elongin C (unknown origin) interaction with HIF1alpha preincubated for 10 mins followed by fluorescin labelled...


J Med Chem 61: 583-598 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00635
BindingDB Entry DOI: 10.7270/Q2GM89ZG
More data for this
Ligand-Target Pair
Von Hippel-Lindau disease tumor suppressor/Elongin B/Elongin C


(Homo sapiens (Human))
BDBM50014095
PNG
(CHEMBL3260850)
Show SMILES Cc1cc(CC(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2cccc(Cl)c2)on1
Show InChI InChI=1S/C18H20ClN3O4/c1-11-5-15(26-21-11)8-17(24)22-10-14(23)7-16(22)18(25)20-9-12-3-2-4-13(19)6-12/h2-6,14,16,23H,7-10H2,1H3,(H,20,25)/t14-,16+/m1/s1
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n/an/a 1.17E+5n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Displacement of FAM-DEALAHyp-YIPD from 6xHis-tagged VHL (1 to 213)/elongins-B/elonginC (unknown origin) expressed in Escherichia coli BL21 after 1 mi...


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