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Compile Data Set for Download or QSAR

Found 285 hits of ic50 for UniProtKB: A0A024R2F2   
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 protein (VBC)


(Homo sapiens (Human))
BDBM454848
PNG
(US10730870, Example 11)
Show SMILES CC(C)[C@H](N1Cc2ccc(Br)cc2C1=O)C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1scnc1C
Show InChI InChI=1S/C29H31BrN4O4S/c1-16(2)25(34-13-20-8-9-21(30)10-23(20)28(34)37)29(38)33-14-22(35)11-24(33)27(36)31-12-18-4-6-19(7-5-18)26-17(3)32-15-39-26/h4-10,15-16,22,24-25,35H,11-14H2,1-3H3,(H,31,36)/t22-,24+,25+/m1/s1
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n/an/a 16.3n/an/an/an/an/an/a



ARVINAS OPERATIONS, INC.; YALE UNIVERSITY

US Patent


Assay Description
Ability of VHL ligands to compete for the HIF 1 a binding site on VCB was determined through a fluorescence polarization competition assay as describ...


US Patent US10730870 (2020)

More data for this
Ligand-Target Pair
Von Hippel-Lindau disease tumor suppressor protein (VBC)


(Homo sapiens (Human))
BDBM454972
PNG
(US10730870, Example 141)
Show SMILES CC(C)C(C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1scnc1C)c1cc(C)no1
Show InChI InChI=1S/C25H30N4O4S/c1-14(2)22(21-9-15(3)28-33-21)25(32)29-12-19(30)10-20(29)24(31)26-11-17-5-7-18(8-6-17)23-16(4)27-13-34-23/h5-9,13-14,19-20,22,30H,10-12H2,1-4H3,(H,26,31)/t19-,20+,22?/m1/s1
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n/an/a 70.9n/an/an/an/an/an/a



ARVINAS OPERATIONS, INC.; YALE UNIVERSITY

US Patent


Assay Description
Ability of VHL ligands to compete for the HIF 1 a binding site on VCB was determined through a fluorescence polarization competition assay as describ...


US Patent US10730870 (2020)

More data for this
Ligand-Target Pair
Von Hippel-Lindau disease tumor suppressor protein (VBC)


(Homo sapiens (Human))
BDBM454969
PNG
(US10730870, Example 138 | US10730870, Example 145)
Show SMILES CC(C)[C@@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1scnc1C)c1cc(C)no1
Show InChI InChI=1S/C25H30N4O4S/c1-14(2)22(21-9-15(3)28-33-21)25(32)29-12-19(30)10-20(29)24(31)26-11-17-5-7-18(8-6-17)23-16(4)27-13-34-23/h5-9,13-14,19-20,22,30H,10-12H2,1-4H3,(H,26,31)/t19-,20+,22-/m1/s1
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n/an/a 100n/an/an/an/an/an/a



ARVINAS OPERATIONS, INC.; YALE UNIVERSITY

US Patent


Assay Description
Ability of VHL ligands to compete for the HIF 1 a binding site on VCB was determined through a fluorescence polarization competition assay as describ...


US Patent US10730870 (2020)

More data for this
Ligand-Target Pair
Von Hippel-Lindau disease tumor suppressor protein (VBC)


(Homo sapiens (Human))
BDBM454909
PNG
(US10730870, Example 76)
Show SMILES COc1ccc(CCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(cc2)-c2scnc2C)C(C)(C)C)cc1
Show InChI InChI=1S/C32H40N4O5S/c1-20-28(42-19-34-20)23-11-6-22(7-12-23)17-33-30(39)26-16-24(37)18-36(26)31(40)29(32(2,3)4)35-27(38)15-10-21-8-13-25(41-5)14-9-21/h6-9,11-14,19,24,26,29,37H,10,15-18H2,1-5H3,(H,33,39)(H,35,38)/t24-,26+,29-/m1/s1
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n/an/a 169n/an/an/an/an/an/a



ARVINAS OPERATIONS, INC.; YALE UNIVERSITY

US Patent


Assay Description
Ability of VHL ligands to compete for the HIF 1 a binding site on VCB was determined through a fluorescence polarization competition assay as describ...


US Patent US10730870 (2020)

More data for this
Ligand-Target Pair
Von Hippel-Lindau disease tumor suppressor protein (VBC)


(Homo sapiens (Human))
BDBM454884
PNG
(US10730870, Example 47)
Show SMILES CC(C)[C@H](N1Cc2cccc(C#N)c2C1=O)C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1scnc1C
Show InChI InChI=1S/C30H31N5O4S/c1-17(2)26(35-14-22-6-4-5-21(12-31)25(22)29(35)38)30(39)34-15-23(36)11-24(34)28(37)32-13-19-7-9-20(10-8-19)27-18(3)33-16-40-27/h4-10,16-17,23-24,26,36H,11,13-15H2,1-3H3,(H,32,37)/t23-,24+,26+/m1/s1
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n/an/a 178n/an/an/an/an/an/a



ARVINAS OPERATIONS, INC.; YALE UNIVERSITY

US Patent


Assay Description
Ability of VHL ligands to compete for the HIF 1 a binding site on VCB was determined through a fluorescence polarization competition assay as describ...


US Patent US10730870 (2020)

More data for this
Ligand-Target Pair
Von Hippel-Lindau disease tumor suppressor protein (VBC)


(Homo sapiens (Human))
BDBM171824
PNG
(US9085572, 34)
Show SMILES Cc1ccnc(c1)-n1[nH]cc(-c2ccc(nc2)C#N)c1=O
Show InChI InChI=1S/C15H11N5O/c1-10-4-5-17-14(6-10)20-15(21)13(9-19-20)11-2-3-12(7-16)18-8-11/h2-6,8-9,19H,1H3
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US Patent
n/an/a 180n/an/an/an/a7.5n/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Hydroxylated HIF bonds specifically to the von Hippel-Lindau protein-elongin B-elongin C complex (VBC complex). This interaction occurs only if HIF i...


US Patent US9085572 (2015)


BindingDB Entry DOI: 10.7270/Q2H70DMQ
More data for this
Ligand-Target Pair
Von Hippel-Lindau disease tumor suppressor protein (VBC)


(Homo sapiens (Human))
BDBM454907
PNG
(US10730870, Example 74)
Show SMILES CC(C)[C@H](N1Cc2ccc(Cl)cc2C1=O)C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1scnc1C
Show InChI InChI=1S/C29H31ClN4O4S/c1-16(2)25(34-13-20-8-9-21(30)10-23(20)28(34)37)29(38)33-14-22(35)11-24(33)27(36)31-12-18-4-6-19(7-5-18)26-17(3)32-15-39-26/h4-10,15-16,22,24-25,35H,11-14H2,1-3H3,(H,31,36)/t22-,24+,25+/m1/s1
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n/an/a 264n/an/an/an/an/an/a



ARVINAS OPERATIONS, INC.; YALE UNIVERSITY

US Patent


Assay Description
Ability of VHL ligands to compete for the HIF 1 a binding site on VCB was determined through a fluorescence polarization competition assay as describ...


US Patent US10730870 (2020)

More data for this
Ligand-Target Pair
Von Hippel-Lindau disease tumor suppressor protein (VBC)


(Homo sapiens (Human))
BDBM454853
PNG
(US10730870, Example 16)
Show SMILES CC(C)[C@H](N1Cc2cc(F)ccc2C1=O)C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1scnc1C
Show InChI InChI=1S/C29H31FN4O4S/c1-16(2)25(34-13-20-10-21(30)8-9-23(20)28(34)37)29(38)33-14-22(35)11-24(33)27(36)31-12-18-4-6-19(7-5-18)26-17(3)32-15-39-26/h4-10,15-16,22,24-25,35H,11-14H2,1-3H3,(H,31,36)/t22-,24+,25+/m1/s1
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n/an/a 265n/an/an/an/an/an/a



ARVINAS OPERATIONS, INC.; YALE UNIVERSITY

US Patent


Assay Description
Ability of VHL ligands to compete for the HIF 1 a binding site on VCB was determined through a fluorescence polarization competition assay as describ...


US Patent US10730870 (2020)

More data for this
Ligand-Target Pair
Von Hippel-Lindau disease tumor suppressor protein (VBC)


(Homo sapiens (Human))
BDBM454897
PNG
(US10730870, Example 60)
Show SMILES CC(C)CCC(=O)N[C@H](CSSC[C@H](NC(=O)CCC(C)C)C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1scnc1C)C(=O)N1C[C@@H](O)C[C@@H]1C(=O)NCc1ccc(cc1)-c1scnc1C
Show InChI InChI=1S/C50H66N8O8S4/c1-29(2)7-17-43(61)55-39(49(65)57-23-37(59)19-41(57)47(63)51-21-33-9-13-35(14-10-33)45-31(5)53-27-67-45)25-69-70-26-40(56-44(62)18-8-30(3)4)50(66)58-24-38(60)20-42(58)48(64)52-22-34-11-15-36(16-12-34)46-32(6)54-28-68-46/h9-16,27-30,37-42,59-60H,7-8,17-26H2,1-6H3,(H,51,63)(H,52,64)(H,55,61)(H,56,62)/t37-,38+,39+,40-,41+,42-
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n/an/a 293n/an/an/an/an/an/a



ARVINAS OPERATIONS, INC.; YALE UNIVERSITY

US Patent


Assay Description
Ability of VHL ligands to compete for the HIF 1 a binding site on VCB was determined through a fluorescence polarization competition assay as describ...


US Patent US10730870 (2020)

More data for this
Ligand-Target Pair
Von Hippel-Lindau disease tumor suppressor protein (VBC)


(Homo sapiens (Human))
BDBM454846
PNG
(US10730870, Example 9)
Show SMILES CC(C)[C@H](N1Cc2ccc(F)cc2C1=O)C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1scnc1C
Show InChI InChI=1S/C29H31FN4O4S/c1-16(2)25(34-13-20-8-9-21(30)10-23(20)28(34)37)29(38)33-14-22(35)11-24(33)27(36)31-12-18-4-6-19(7-5-18)26-17(3)32-15-39-26/h4-10,15-16,22,24-25,35H,11-14H2,1-3H3,(H,31,36)/t22-,24+,25+/m1/s1
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n/an/a 309n/an/an/an/an/an/a



ARVINAS OPERATIONS, INC.; YALE UNIVERSITY

US Patent


Assay Description
Ability of VHL ligands to compete for the HIF 1 a binding site on VCB was determined through a fluorescence polarization competition assay as describ...


US Patent US10730870 (2020)

More data for this
Ligand-Target Pair
Von Hippel-Lindau disease tumor suppressor protein (VBC)


(Homo sapiens (Human))
BDBM454854
PNG
(US10730870, Example 17)
Show SMILES CC(C)[C@H](N1Cc2ccc(cc2C1=O)C#N)C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1scnc1C
Show InChI InChI=1S/C30H31N5O4S/c1-17(2)26(35-14-22-9-6-20(12-31)10-24(22)29(35)38)30(39)34-15-23(36)11-25(34)28(37)32-13-19-4-7-21(8-5-19)27-18(3)33-16-40-27/h4-10,16-17,23,25-26,36H,11,13-15H2,1-3H3,(H,32,37)/t23-,25+,26+/m1/s1
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n/an/a 317n/an/an/an/an/an/a



ARVINAS OPERATIONS, INC.; YALE UNIVERSITY

US Patent


Assay Description
Ability of VHL ligands to compete for the HIF 1 a binding site on VCB was determined through a fluorescence polarization competition assay as describ...


US Patent US10730870 (2020)

More data for this
Ligand-Target Pair
Von Hippel-Lindau disease tumor suppressor protein (VBC)


(Homo sapiens (Human))
BDBM454916
PNG
(US10730870, Example 83)
Show SMILES COc1ccccc1CCC(=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/C32H40N4O5S/c1-20-28(42-19-34-20)23-12-10-21(11-13-23)17-33-30(39)25-16-24(37)18-36(25)31(40)29(32(2,3)4)35-27(38)15-14-22-8-6-7-9-26(22)41-5/h6-13,19,24-25,29,37H,14-18H2,1-5H3,(H,33,39)(H,35,38)/t24-,25+,29-/m1/s1
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n/an/a 320n/an/an/an/an/an/a



ARVINAS OPERATIONS, INC.; YALE UNIVERSITY

US Patent


Assay Description
Ability of VHL ligands to compete for the HIF 1 a binding site on VCB was determined through a fluorescence polarization competition assay as describ...


US Patent US10730870 (2020)

More data for this
Ligand-Target Pair
Von Hippel-Lindau disease tumor suppressor protein (VBC)


(Homo sapiens (Human))
BDBM454884
PNG
(US10730870, Example 47)
Show SMILES CC(C)[C@H](N1Cc2cccc(C#N)c2C1=O)C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1scnc1C
Show InChI InChI=1S/C30H31N5O4S/c1-17(2)26(35-14-22-6-4-5-21(12-31)25(22)29(35)38)30(39)34-15-23(36)11-24(34)28(37)32-13-19-7-9-20(10-8-19)27-18(3)33-16-40-27/h4-10,16-17,23-24,26,36H,11,13-15H2,1-3H3,(H,32,37)/t23-,24+,26+/m1/s1
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n/an/a 339n/an/an/an/an/an/a



ARVINAS OPERATIONS, INC.; YALE UNIVERSITY

US Patent


Assay Description
Ability of VHL ligands to compete for the HIF 1 a binding site on VCB was determined through a fluorescence polarization competition assay as describ...


US Patent US10730870 (2020)

More data for this
Ligand-Target Pair
Von Hippel-Lindau disease tumor suppressor protein (VBC)


(Homo sapiens (Human))
BDBM454910
PNG
(US10730870, Example 77)
Show SMILES COc1cccc(CCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(cc2)-c2scnc2C)C(C)(C)C)c1
Show InChI InChI=1S/C32H40N4O5S/c1-20-28(42-19-34-20)23-12-9-22(10-13-23)17-33-30(39)26-16-24(37)18-36(26)31(40)29(32(2,3)4)35-27(38)14-11-21-7-6-8-25(15-21)41-5/h6-10,12-13,15,19,24,26,29,37H,11,14,16-18H2,1-5H3,(H,33,39)(H,35,38)/t24-,26+,29-/m1/s1
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n/an/a 349n/an/an/an/an/an/a



ARVINAS OPERATIONS, INC.; YALE UNIVERSITY

US Patent


Assay Description
Ability of VHL ligands to compete for the HIF 1 a binding site on VCB was determined through a fluorescence polarization competition assay as describ...


US Patent US10730870 (2020)

More data for this
Ligand-Target Pair
Von Hippel-Lindau disease tumor suppressor protein (VBC)


(Homo sapiens (Human))
BDBM454881
PNG
(US10730870, Example 44)
Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCc2ccccc2)C(C)(C)C)cc1
Show InChI InChI=1S/C31H38N4O4S/c1-20-27(40-19-33-20)23-13-10-22(11-14-23)17-32-29(38)25-16-24(36)18-35(25)30(39)28(31(2,3)4)34-26(37)15-12-21-8-6-5-7-9-21/h5-11,13-14,19,24-25,28,36H,12,15-18H2,1-4H3,(H,32,38)(H,34,37)/t24-,25+,28-/m1/s1
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n/an/a 385n/an/an/an/an/an/a



ARVINAS OPERATIONS, INC.; YALE UNIVERSITY

US Patent


Assay Description
Ability of VHL ligands to compete for the HIF 1 a binding site on VCB was determined through a fluorescence polarization competition assay as describ...


US Patent US10730870 (2020)

More data for this
Ligand-Target Pair
Von Hippel-Lindau disease tumor suppressor protein (VBC)


(Homo sapiens (Human))
BDBM454858
PNG
(US10730870, Example 21)
Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)Cc2ccccc2)C(C)(C)C)cc1
Show InChI InChI=1S/C30H36N4O4S/c1-19-26(39-18-32-19)22-12-10-21(11-13-22)16-31-28(37)24-15-23(35)17-34(24)29(38)27(30(2,3)4)33-25(36)14-20-8-6-5-7-9-20/h5-13,18,23-24,27,35H,14-17H2,1-4H3,(H,31,37)(H,33,36)/t23-,24+,27-/m1/s1
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n/an/a 392n/an/an/an/an/an/a



ARVINAS OPERATIONS, INC.; YALE UNIVERSITY

US Patent


Assay Description
Ability of VHL ligands to compete for the HIF 1 a binding site on VCB was determined through a fluorescence polarization competition assay as describ...


US Patent US10730870 (2020)

More data for this
Ligand-Target Pair
Von Hippel-Lindau disease tumor suppressor protein (VBC)


(Homo sapiens (Human))
BDBM454932
PNG
(US10730870, Example 99)
Show SMILES CC(C)[C@H](N1Cc2ncccc2C1=O)C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1scnc1C
Show InChI InChI=1S/C28H31N5O4S/c1-16(2)24(33-14-22-21(27(33)36)5-4-10-29-22)28(37)32-13-20(34)11-23(32)26(35)30-12-18-6-8-19(9-7-18)25-17(3)31-15-38-25/h4-10,15-16,20,23-24,34H,11-14H2,1-3H3,(H,30,35)/t20-,23+,24+/m1/s1
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n/an/a 418n/an/an/an/an/an/a



ARVINAS OPERATIONS, INC.; YALE UNIVERSITY

US Patent


Assay Description
Ability of VHL ligands to compete for the HIF 1 a binding site on VCB was determined through a fluorescence polarization competition assay as describ...


US Patent US10730870 (2020)

More data for this
Ligand-Target Pair
Von Hippel-Lindau disease tumor suppressor protein (VBC)


(Homo sapiens (Human))
BDBM171821
PNG
(US9085572, 6)
Show SMILES O=c1c(c[nH]n1-c1ccccn1)-c1cccnc1
Show InChI InChI=1S/C13H10N4O/c18-13-11(10-4-3-6-14-8-10)9-16-17(13)12-5-1-2-7-15-12/h1-9,16H
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n/an/a 430n/an/an/an/a7.5n/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Hydroxylated HIF bonds specifically to the von Hippel-Lindau protein-elongin B-elongin C complex (VBC complex). This interaction occurs only if HIF i...


US Patent US9085572 (2015)


BindingDB Entry DOI: 10.7270/Q2H70DMQ
More data for this
Ligand-Target Pair
Von Hippel-Lindau disease tumor suppressor protein (VBC)


(Homo sapiens (Human))
BDBM454863
PNG
(US10730870, Example 26)
Show SMILES CC(C)[C@H](N1Cc2c(cccc2Br)C1=O)C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1scnc1C
Show InChI InChI=1S/C29H31BrN4O4S/c1-16(2)25(34-14-22-21(28(34)37)5-4-6-23(22)30)29(38)33-13-20(35)11-24(33)27(36)31-12-18-7-9-19(10-8-18)26-17(3)32-15-39-26/h4-10,15-16,20,24-25,35H,11-14H2,1-3H3,(H,31,36)/t20-,24+,25+/m1/s1
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n/an/a 441n/an/an/an/an/an/a



ARVINAS OPERATIONS, INC.; YALE UNIVERSITY

US Patent


Assay Description
Ability of VHL ligands to compete for the HIF 1 a binding site on VCB was determined through a fluorescence polarization competition assay as describ...


US Patent US10730870 (2020)

More data for this
Ligand-Target Pair
Von Hippel-Lindau disease tumor suppressor protein (VBC)


(Homo sapiens (Human))
BDBM454907
PNG
(US10730870, Example 74)
Show SMILES CC(C)[C@H](N1Cc2ccc(Cl)cc2C1=O)C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1scnc1C
Show InChI InChI=1S/C29H31ClN4O4S/c1-16(2)25(34-13-20-8-9-21(30)10-23(20)28(34)37)29(38)33-14-22(35)11-24(33)27(36)31-12-18-4-6-19(7-5-18)26-17(3)32-15-39-26/h4-10,15-16,22,24-25,35H,11-14H2,1-3H3,(H,31,36)/t22-,24+,25+/m1/s1
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n/an/a 450n/an/an/an/an/an/a



ARVINAS OPERATIONS, INC.; YALE UNIVERSITY

US Patent


Assay Description
Ability of VHL ligands to compete for the HIF 1 a binding site on VCB was determined through a fluorescence polarization competition assay as describ...


US Patent US10730870 (2020)

More data for this
Ligand-Target Pair
Von Hippel-Lindau disease tumor suppressor protein (VBC)


(Homo sapiens (Human))
BDBM454881
PNG
(US10730870, Example 44)
Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCc2ccccc2)C(C)(C)C)cc1
Show InChI InChI=1S/C31H38N4O4S/c1-20-27(40-19-33-20)23-13-10-22(11-14-23)17-32-29(38)25-16-24(36)18-35(25)30(39)28(31(2,3)4)34-26(37)15-12-21-8-6-5-7-9-21/h5-11,13-14,19,24-25,28,36H,12,15-18H2,1-4H3,(H,32,38)(H,34,37)/t24-,25+,28-/m1/s1
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n/an/a 465n/an/an/an/an/an/a



ARVINAS OPERATIONS, INC.; YALE UNIVERSITY

US Patent


Assay Description
Ability of VHL ligands to compete for the HIF 1 a binding site on VCB was determined through a fluorescence polarization competition assay as describ...


US Patent US10730870 (2020)

More data for this
Ligand-Target Pair
Von Hippel-Lindau disease tumor suppressor protein (VBC)


(Homo sapiens (Human))
BDBM454890
PNG
(US10730870, Example 53)
Show SMILES COCC#Cc1ccc2C(=O)N(Cc2c1)[C@@H](C(C)C)C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1scnc1C
Show InChI InChI=1S/C33H36N4O5S/c1-20(2)29(37-17-25-14-22(6-5-13-42-4)9-12-27(25)32(37)40)33(41)36-18-26(38)15-28(36)31(39)34-16-23-7-10-24(11-8-23)30-21(3)35-19-43-30/h7-12,14,19-20,26,28-29,38H,13,15-18H2,1-4H3,(H,34,39)/t26-,28+,29+/m1/s1
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n/an/a 474n/an/an/an/an/an/a



ARVINAS OPERATIONS, INC.; YALE UNIVERSITY

US Patent


Assay Description
Ability of VHL ligands to compete for the HIF 1 a binding site on VCB was determined through a fluorescence polarization competition assay as describ...


US Patent US10730870 (2020)

More data for this
Ligand-Target Pair
Von Hippel-Lindau disease tumor suppressor protein (VBC)


(Homo sapiens (Human))
BDBM454846
PNG
(US10730870, Example 9)
Show SMILES CC(C)[C@H](N1Cc2ccc(F)cc2C1=O)C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1scnc1C
Show InChI InChI=1S/C29H31FN4O4S/c1-16(2)25(34-13-20-8-9-21(30)10-23(20)28(34)37)29(38)33-14-22(35)11-24(33)27(36)31-12-18-4-6-19(7-5-18)26-17(3)32-15-39-26/h4-10,15-16,22,24-25,35H,11-14H2,1-3H3,(H,31,36)/t22-,24+,25+/m1/s1
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n/an/a 498n/an/an/an/an/an/a



ARVINAS OPERATIONS, INC.; YALE UNIVERSITY

US Patent


Assay Description
Ability of VHL ligands to compete for the HIF 1 a binding site on VCB was determined through a fluorescence polarization competition assay as describ...


US Patent US10730870 (2020)

More data for this
Ligand-Target Pair
Von Hippel-Lindau disease tumor suppressor protein (VBC)


(Homo sapiens (Human))
BDBM454872
PNG
(US10730870, Example 35)
Show SMILES CC(C)[C@H](N1Cc2c(cccc2C#N)C1=O)C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1scnc1C
Show InChI InChI=1S/C30H31N5O4S/c1-17(2)26(35-15-24-21(12-31)5-4-6-23(24)29(35)38)30(39)34-14-22(36)11-25(34)28(37)32-13-19-7-9-20(10-8-19)27-18(3)33-16-40-27/h4-10,16-17,22,25-26,36H,11,13-15H2,1-3H3,(H,32,37)/t22-,25+,26+/m1/s1
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n/an/a 509n/an/an/an/an/an/a



ARVINAS OPERATIONS, INC.; YALE UNIVERSITY

US Patent


Assay Description
Ability of VHL ligands to compete for the HIF 1 a binding site on VCB was determined through a fluorescence polarization competition assay as describ...


US Patent US10730870 (2020)

More data for this
Ligand-Target Pair
Von Hippel-Lindau disease tumor suppressor protein (VBC)


(Homo sapiens (Human))
BDBM454839
PNG
(US10730870, Example 2)
Show SMILES CC(C)[C@H](N1Cc2ccccc2C1=O)C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1scnc1C1CC1
Show InChI InChI=1S/C31H34N4O4S/c1-18(2)27(35-15-22-5-3-4-6-24(22)30(35)38)31(39)34-16-23(36)13-25(34)29(37)32-14-19-7-9-21(10-8-19)28-26(20-11-12-20)33-17-40-28/h3-10,17-18,20,23,25,27,36H,11-16H2,1-2H3,(H,32,37)/t23-,25+,27+/m1/s1
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n/an/a 533n/an/an/an/an/an/a



ARVINAS OPERATIONS, INC.; YALE UNIVERSITY

US Patent


Assay Description
Ability of VHL ligands to compete for the HIF 1 a binding site on VCB was determined through a fluorescence polarization competition assay as describ...


US Patent US10730870 (2020)

More data for this
Ligand-Target Pair
Von Hippel-Lindau disease tumor suppressor protein (VBC)


(Homo sapiens (Human))
BDBM454870
PNG
(US10730870, Example 33)
Show SMILES CC(C)[C@H](N1Cc2c(cccc2F)C1=O)C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1scnc1C
Show InChI InChI=1S/C29H31FN4O4S/c1-16(2)25(34-14-22-21(28(34)37)5-4-6-23(22)30)29(38)33-13-20(35)11-24(33)27(36)31-12-18-7-9-19(10-8-18)26-17(3)32-15-39-26/h4-10,15-16,20,24-25,35H,11-14H2,1-3H3,(H,31,36)/t20-,24+,25+/m1/s1
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n/an/a 539n/an/an/an/an/an/a



ARVINAS OPERATIONS, INC.; YALE UNIVERSITY

US Patent


Assay Description
Ability of VHL ligands to compete for the HIF 1 a binding site on VCB was determined through a fluorescence polarization competition assay as describ...


US Patent US10730870 (2020)

More data for this
Ligand-Target Pair
Von Hippel-Lindau disease tumor suppressor protein (VBC)


(Homo sapiens (Human))
BDBM454848
PNG
(US10730870, Example 11)
Show SMILES CC(C)[C@H](N1Cc2ccc(Br)cc2C1=O)C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1scnc1C
Show InChI InChI=1S/C29H31BrN4O4S/c1-16(2)25(34-13-20-8-9-21(30)10-23(20)28(34)37)29(38)33-14-22(35)11-24(33)27(36)31-12-18-4-6-19(7-5-18)26-17(3)32-15-39-26/h4-10,15-16,22,24-25,35H,11-14H2,1-3H3,(H,31,36)/t22-,24+,25+/m1/s1
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n/an/a 542n/an/an/an/an/an/a



ARVINAS OPERATIONS, INC.; YALE UNIVERSITY

US Patent


Assay Description
Ability of VHL ligands to compete for the HIF 1 a binding site on VCB was determined through a fluorescence polarization competition assay as describ...


US Patent US10730870 (2020)

More data for this
Ligand-Target Pair
Von Hippel-Lindau disease tumor suppressor protein (VBC)


(Homo sapiens (Human))
BDBM454910
PNG
(US10730870, Example 77)
Show SMILES COc1cccc(CCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(cc2)-c2scnc2C)C(C)(C)C)c1
Show InChI InChI=1S/C32H40N4O5S/c1-20-28(42-19-34-20)23-12-9-22(10-13-23)17-33-30(39)26-16-24(37)18-36(26)31(40)29(32(2,3)4)35-27(38)14-11-21-7-6-8-25(15-21)41-5/h6-10,12-13,15,19,24,26,29,37H,11,14,16-18H2,1-5H3,(H,33,39)(H,35,38)/t24-,26+,29-/m1/s1
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n/an/a 550n/an/an/an/an/an/a



ARVINAS OPERATIONS, INC.; YALE UNIVERSITY

US Patent


Assay Description
Ability of VHL ligands to compete for the HIF 1 a binding site on VCB was determined through a fluorescence polarization competition assay as describ...


US Patent US10730870 (2020)

More data for this
Ligand-Target Pair
Von Hippel-Lindau disease tumor suppressor protein (VBC)


(Homo sapiens (Human))
BDBM454927
PNG
(US10730870, Example 94)
Show SMILES CC[C@H](C)[C@H](N1Cc2ccc(F)cc2C1=O)C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1scnc1C
Show InChI InChI=1S/C30H33FN4O4S/c1-4-17(2)26(35-14-21-9-10-22(31)11-24(21)29(35)38)30(39)34-15-23(36)12-25(34)28(37)32-13-19-5-7-20(8-6-19)27-18(3)33-16-40-27/h5-11,16-17,23,25-26,36H,4,12-15H2,1-3H3,(H,32,37)/t17-,23+,25-,26-/m0/s1
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n/an/a 566n/an/an/an/an/an/a



ARVINAS OPERATIONS, INC.; YALE UNIVERSITY

US Patent


Assay Description
Ability of VHL ligands to compete for the HIF 1 a binding site on VCB was determined through a fluorescence polarization competition assay as describ...


US Patent US10730870 (2020)

More data for this
Ligand-Target Pair
Von Hippel-Lindau disease tumor suppressor protein (VBC)


(Homo sapiens (Human))
BDBM454867
PNG
(US10730870, Example 30)
Show SMILES CC[C@H](C)[C@H](N1Cc2ccccc2C1=O)C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1scnc1C
Show InChI InChI=1S/C30H34N4O4S/c1-4-18(2)26(34-15-22-7-5-6-8-24(22)29(34)37)30(38)33-16-23(35)13-25(33)28(36)31-14-20-9-11-21(12-10-20)27-19(3)32-17-39-27/h5-12,17-18,23,25-26,35H,4,13-16H2,1-3H3,(H,31,36)/t18-,23+,25-,26-/m0/s1
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n/an/a 572n/an/an/an/an/an/a



ARVINAS OPERATIONS, INC.; YALE UNIVERSITY

US Patent


Assay Description
Ability of VHL ligands to compete for the HIF 1 a binding site on VCB was determined through a fluorescence polarization competition assay as describ...


US Patent US10730870 (2020)

More data for this
Ligand-Target Pair
Von Hippel-Lindau disease tumor suppressor protein (VBC)


(Homo sapiens (Human))
BDBM454900
PNG
(US10730870, Example 65)
Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](N2Cc3ccccc3C2=O)C(C)(C)C)cc1
Show InChI InChI=1S/C30H34N4O4S/c1-18-25(39-17-32-18)20-11-9-19(10-12-20)14-31-27(36)24-13-22(35)16-33(24)29(38)26(30(2,3)4)34-15-21-7-5-6-8-23(21)28(34)37/h5-12,17,22,24,26,35H,13-16H2,1-4H3,(H,31,36)/t22-,24+,26-/m1/s1
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n/an/a 578n/an/an/an/an/an/a



ARVINAS OPERATIONS, INC.; YALE UNIVERSITY

US Patent


Assay Description
Ability of VHL ligands to compete for the HIF 1 a binding site on VCB was determined through a fluorescence polarization competition assay as describ...


US Patent US10730870 (2020)

More data for this
Ligand-Target Pair
Von Hippel-Lindau disease tumor suppressor protein (VBC)


(Homo sapiens (Human))
BDBM454845
PNG
(US10730870, Example 8)
Show SMILES CC(C)[C@H](N1Cc2cccc(F)c2C1=O)C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1scnc1C
Show InChI InChI=1S/C29H31FN4O4S/c1-16(2)25(34-13-20-5-4-6-22(30)24(20)28(34)37)29(38)33-14-21(35)11-23(33)27(36)31-12-18-7-9-19(10-8-18)26-17(3)32-15-39-26/h4-10,15-16,21,23,25,35H,11-14H2,1-3H3,(H,31,36)/t21-,23+,25+/m1/s1
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n/an/a 619n/an/an/an/an/an/a



ARVINAS OPERATIONS, INC.; YALE UNIVERSITY

US Patent


Assay Description
Ability of VHL ligands to compete for the HIF 1 a binding site on VCB was determined through a fluorescence polarization competition assay as describ...


US Patent US10730870 (2020)

More data for this
Ligand-Target Pair
Von Hippel-Lindau disease tumor suppressor protein (VBC)


(Homo sapiens (Human))
BDBM454916
PNG
(US10730870, Example 83)
Show SMILES COc1ccccc1CCC(=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/C32H40N4O5S/c1-20-28(42-19-34-20)23-12-10-21(11-13-23)17-33-30(39)25-16-24(37)18-36(25)31(40)29(32(2,3)4)35-27(38)15-14-22-8-6-7-9-26(22)41-5/h6-13,19,24-25,29,37H,14-18H2,1-5H3,(H,33,39)(H,35,38)/t24-,25+,29-/m1/s1
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n/an/a 626n/an/an/an/an/an/a



ARVINAS OPERATIONS, INC.; YALE UNIVERSITY

US Patent


Assay Description
Ability of VHL ligands to compete for the HIF 1 a binding site on VCB was determined through a fluorescence polarization competition assay as describ...


US Patent US10730870 (2020)

More data for this
Ligand-Target Pair
Von Hippel-Lindau disease tumor suppressor protein (VBC)


(Homo sapiens (Human))
BDBM454900
PNG
(US10730870, Example 65)
Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](N2Cc3ccccc3C2=O)C(C)(C)C)cc1
Show InChI InChI=1S/C30H34N4O4S/c1-18-25(39-17-32-18)20-11-9-19(10-12-20)14-31-27(36)24-13-22(35)16-33(24)29(38)26(30(2,3)4)34-15-21-7-5-6-8-23(21)28(34)37/h5-12,17,22,24,26,35H,13-16H2,1-4H3,(H,31,36)/t22-,24+,26-/m1/s1
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n/an/a 631n/an/an/an/an/an/a



ARVINAS OPERATIONS, INC.; YALE UNIVERSITY

US Patent


Assay Description
Ability of VHL ligands to compete for the HIF 1 a binding site on VCB was determined through a fluorescence polarization competition assay as describ...


US Patent US10730870 (2020)

More data for this
Ligand-Target Pair
Von Hippel-Lindau disease tumor suppressor protein (VBC)


(Homo sapiens (Human))
BDBM50246759
PNG
(CHEMBL4098772)
Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOc2cc3nccc(Nc4ccc5scnc5c4)c3cc2S(=O)(=O)C(C)(C)C)C(C)(C)C)cc1
Show InChI InChI=1S/C52H65N7O11S3/c1-33-47(72-31-55-33)35-10-8-34(9-11-35)28-54-49(62)42-25-37(60)29-59(42)50(63)48(51(2,3)4)58-46(61)30-69-21-20-67-17-16-66-18-19-68-22-23-70-43-27-40-38(26-45(43)73(64,65)52(5,6)7)39(14-15-53-40)57-36-12-13-44-41(24-36)56-32-71-44/h8-15,24,26-27,31-32,37,42,48,60H,16-23,25,28-30H2,1-7H3,(H,53,57)(H,54,62)(H,58,61)/t37-,42+,48-/m1/s1
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n/an/a 656n/an/an/an/an/an/a



Shaoxing University

Curated by ChEMBL


Assay Description
Binding affinity to VHL in human THP-1 cells


Eur J Med Chem 174: 159-180 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.036
More data for this
Ligand-Target Pair
Von Hippel-Lindau disease tumor suppressor protein (VBC)


(Homo sapiens (Human))
BDBM454871
PNG
(US10730870, Example 34)
Show SMILES CC(C)[C@H](N1Cc2cc(ccc2C1=O)C#N)C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1scnc1C
Show InChI InChI=1S/C30H31N5O4S/c1-17(2)26(35-14-22-10-20(12-31)6-9-24(22)29(35)38)30(39)34-15-23(36)11-25(34)28(37)32-13-19-4-7-21(8-5-19)27-18(3)33-16-40-27/h4-10,16-17,23,25-26,36H,11,13-15H2,1-3H3,(H,32,37)/t23-,25+,26+/m1/s1
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n/an/a 660n/an/an/an/an/an/a



ARVINAS OPERATIONS, INC.; YALE UNIVERSITY

US Patent


Assay Description
Ability of VHL ligands to compete for the HIF 1 a binding site on VCB was determined through a fluorescence polarization competition assay as describ...


US Patent US10730870 (2020)

More data for this
Ligand-Target Pair
Von Hippel-Lindau disease tumor suppressor protein (VBC)


(Homo sapiens (Human))
BDBM454901
PNG
(US10730870, Example 68)
Show SMILES CC(C)[C@H](N1Cc2c(cccc2Cl)C1=O)C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1scnc1C
Show InChI InChI=1S/C29H31ClN4O4S/c1-16(2)25(34-14-22-21(28(34)37)5-4-6-23(22)30)29(38)33-13-20(35)11-24(33)27(36)31-12-18-7-9-19(10-8-18)26-17(3)32-15-39-26/h4-10,15-16,20,24-25,35H,11-14H2,1-3H3,(H,31,36)/t20-,24+,25+/m1/s1
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n/an/a 668n/an/an/an/an/an/a



ARVINAS OPERATIONS, INC.; YALE UNIVERSITY

US Patent


Assay Description
Ability of VHL ligands to compete for the HIF 1 a binding site on VCB was determined through a fluorescence polarization competition assay as describ...


US Patent US10730870 (2020)

More data for this
Ligand-Target Pair
Von Hippel-Lindau disease tumor suppressor protein (VBC)


(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 696n/an/an/an/an/an/a



ARVINAS OPERATIONS, INC.; YALE UNIVERSITY

US Patent


Assay Description
Ability of VHL ligands to compete for the HIF 1 a binding site on VCB was determined through a fluorescence polarization competition assay as describ...


US Patent US10730870 (2020)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Von Hippel-Lindau disease tumor suppressor protein (VBC)


(Homo sapiens (Human))
BDBM454843
PNG
(US10730870, Example 110 | US10730870, Example 6)
Show SMILES CC(C)[C@H](N1Cc2ccccc2C1=O)C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1scnc1C
Show InChI InChI=1S/C29H32N4O4S/c1-17(2)25(33-14-21-6-4-5-7-23(21)28(33)36)29(37)32-15-22(34)12-24(32)27(35)30-13-19-8-10-20(11-9-19)26-18(3)31-16-38-26/h4-11,16-17,22,24-25,34H,12-15H2,1-3H3,(H,30,35)/t22-,24+,25+/m1/s1
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n/an/a 697n/an/an/an/an/an/a



ARVINAS OPERATIONS, INC.; YALE UNIVERSITY

US Patent


Assay Description
Ability of VHL ligands to compete for the HIF 1 a binding site on VCB was determined through a fluorescence polarization competition assay as describ...


US Patent US10730870 (2020)

More data for this
Ligand-Target Pair
Von Hippel-Lindau disease tumor suppressor protein (VBC)


(Homo sapiens (Human))
BDBM454876
PNG
(US10730870, Example 39)
Show SMILES CC(C)[C@H](N1Cc2ccccc2C1=O)C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](C)c1ccc(cc1)-c1scnc1C
Show InChI InChI=1S/C30H34N4O4S/c1-17(2)26(34-14-22-7-5-6-8-24(22)29(34)37)30(38)33-15-23(35)13-25(33)28(36)32-18(3)20-9-11-21(12-10-20)27-19(4)31-16-39-27/h5-12,16-18,23,25-26,35H,13-15H2,1-4H3,(H,32,36)/t18-,23+,25-,26-/m0/s1
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n/an/a 699n/an/an/an/an/an/a



ARVINAS OPERATIONS, INC.; YALE UNIVERSITY

US Patent


Assay Description
Ability of VHL ligands to compete for the HIF 1 a binding site on VCB was determined through a fluorescence polarization competition assay as describ...


US Patent US10730870 (2020)

More data for this
Ligand-Target Pair
Von Hippel-Lindau disease tumor suppressor protein (VBC)


(Homo sapiens (Human))
BDBM171827
PNG
(US9085572, 46)
Show SMILES O=C(Cc1ccccc1)NCc1ccnc(c1)-n1[nH]cc(-c2cccnc2)c1=O
Show InChI InChI=1S/C22H19N5O2/c28-21(12-16-5-2-1-3-6-16)25-13-17-8-10-24-20(11-17)27-22(29)19(15-26-27)18-7-4-9-23-14-18/h1-11,14-15,26H,12-13H2,(H,25,28)
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n/an/a 700n/an/an/an/a7.5n/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Hydroxylated HIF bonds specifically to the von Hippel-Lindau protein-elongin B-elongin C complex (VBC complex). This interaction occurs only if HIF i...


US Patent US9085572 (2015)


BindingDB Entry DOI: 10.7270/Q2H70DMQ
More data for this
Ligand-Target Pair
Von Hippel-Lindau disease tumor suppressor protein (VBC)


(Homo sapiens (Human))
BDBM454894
PNG
(US10730870, Example 57)
Show SMILES COCCCc1ccc2C(=O)N(Cc2c1)[C@@H](C(C)C)C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1scnc1C
Show InChI InChI=1S/C33H40N4O5S/c1-20(2)29(37-17-25-14-22(6-5-13-42-4)9-12-27(25)32(37)40)33(41)36-18-26(38)15-28(36)31(39)34-16-23-7-10-24(11-8-23)30-21(3)35-19-43-30/h7-12,14,19-20,26,28-29,38H,5-6,13,15-18H2,1-4H3,(H,34,39)/t26-,28+,29+/m1/s1
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n/an/a 717n/an/an/an/an/an/a



ARVINAS OPERATIONS, INC.; YALE UNIVERSITY

US Patent


Assay Description
Ability of VHL ligands to compete for the HIF 1 a binding site on VCB was determined through a fluorescence polarization competition assay as describ...


US Patent US10730870 (2020)

More data for this
Ligand-Target Pair
Von Hippel-Lindau disease tumor suppressor protein (VBC)


(Homo sapiens (Human))
BDBM454839
PNG
(US10730870, Example 2)
Show SMILES CC(C)[C@H](N1Cc2ccccc2C1=O)C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1scnc1C1CC1
Show InChI InChI=1S/C31H34N4O4S/c1-18(2)27(35-15-22-5-3-4-6-24(22)30(35)38)31(39)34-16-23(36)13-25(34)29(37)32-14-19-7-9-21(10-8-19)28-26(20-11-12-20)33-17-40-28/h3-10,17-18,20,23,25,27,36H,11-16H2,1-2H3,(H,32,37)/t23-,25+,27+/m1/s1
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n/an/a 732n/an/an/an/an/an/a



ARVINAS OPERATIONS, INC.; YALE UNIVERSITY

US Patent


Assay Description
Ability of VHL ligands to compete for the HIF 1 a binding site on VCB was determined through a fluorescence polarization competition assay as describ...


US Patent US10730870 (2020)

More data for this
Ligand-Target Pair
Von Hippel-Lindau disease tumor suppressor protein (VBC)


(Homo sapiens (Human))
BDBM454875
PNG
(US10730870, Example 38)
Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](C2CCCC2)N2Cc3ccccc3C2=O)cc1
Show InChI InChI=1S/C31H34N4O4S/c1-19-28(40-18-33-19)22-12-10-20(11-13-22)15-32-29(37)26-14-24(36)17-34(26)31(39)27(21-6-2-3-7-21)35-16-23-8-4-5-9-25(23)30(35)38/h4-5,8-13,18,21,24,26-27,36H,2-3,6-7,14-17H2,1H3,(H,32,37)/t24-,26+,27+/m1/s1
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n/an/a 758n/an/an/an/an/an/a



ARVINAS OPERATIONS, INC.; YALE UNIVERSITY

US Patent


Assay Description
Ability of VHL ligands to compete for the HIF 1 a binding site on VCB was determined through a fluorescence polarization competition assay as describ...


US Patent US10730870 (2020)

More data for this
Ligand-Target Pair
Von Hippel-Lindau disease tumor suppressor protein (VBC)


(Homo sapiens (Human))
BDBM171823
PNG
(US9085572, 26)
Show SMILES Cc1ncccc1-c1c[nH]n(-c2ccccn2)c1=O
Show InChI InChI=1S/C14H12N4O/c1-10-11(5-4-8-15-10)12-9-17-18(14(12)19)13-6-2-3-7-16-13/h2-9,17H,1H3
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n/an/a 760n/an/an/an/a7.5n/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Hydroxylated HIF bonds specifically to the von Hippel-Lindau protein-elongin B-elongin C complex (VBC complex). This interaction occurs only if HIF i...


US Patent US9085572 (2015)


BindingDB Entry DOI: 10.7270/Q2H70DMQ
More data for this
Ligand-Target Pair
Von Hippel-Lindau disease tumor suppressor protein (VBC)


(Homo sapiens (Human))
BDBM454842
PNG
(US10730870, Example 5)
Show SMILES CCc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](C(C)C)N2Cc3ccccc3C2=O)cc1
Show InChI InChI=1S/C30H34N4O4S/c1-4-24-27(39-17-32-24)20-11-9-19(10-12-20)14-31-28(36)25-13-22(35)16-33(25)30(38)26(18(2)3)34-15-21-7-5-6-8-23(21)29(34)37/h5-12,17-18,22,25-26,35H,4,13-16H2,1-3H3,(H,31,36)/t22-,25+,26+/m1/s1
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n/an/a 799n/an/an/an/an/an/a



ARVINAS OPERATIONS, INC.; YALE UNIVERSITY

US Patent


Assay Description
Ability of VHL ligands to compete for the HIF 1 a binding site on VCB was determined through a fluorescence polarization competition assay as describ...


US Patent US10730870 (2020)

More data for this
Ligand-Target Pair
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)
Von Hippel-Lindau disease tumor suppressor protein (VBC)


(Homo sapiens (Human))
BDBM454911
PNG
(US10730870, Example 78)
Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)c2ccccn2)C(C)(C)C)cc1
Show InChI InChI=1S/C28H33N5O4S/c1-17-23(38-16-31-17)19-10-8-18(9-11-19)14-30-26(36)22-13-20(34)15-33(22)27(37)24(28(2,3)4)32-25(35)21-7-5-6-12-29-21/h5-12,16,20,22,24,34H,13-15H2,1-4H3,(H,30,36)(H,32,35)/t20-,22+,24-/m1/s1
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n/an/a 810n/an/an/an/an/an/a



ARVINAS OPERATIONS, INC.; YALE UNIVERSITY

US Patent


Assay Description
Ability of VHL ligands to compete for the HIF 1 a binding site on VCB was determined through a fluorescence polarization competition assay as describ...


US Patent US10730870 (2020)

More data for this
Ligand-Target Pair
Von Hippel-Lindau disease tumor suppressor protein (VBC)


(Homo sapiens (Human))
BDBM454891
PNG
(US10730870, Example 54)
Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)C2(CCCCC2)N2Cc3ccccc3C2=O)cc1
Show InChI InChI=1S/C31H34N4O4S/c1-20-27(40-19-33-20)22-11-9-21(10-12-22)16-32-28(37)26-15-24(36)18-34(26)30(39)31(13-5-2-6-14-31)35-17-23-7-3-4-8-25(23)29(35)38/h3-4,7-12,19,24,26,36H,2,5-6,13-18H2,1H3,(H,32,37)/t24-,26+/m1/s1
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n/an/a 834n/an/an/an/an/an/a



ARVINAS OPERATIONS, INC.; YALE UNIVERSITY

US Patent


Assay Description
Ability of VHL ligands to compete for the HIF 1 a binding site on VCB was determined through a fluorescence polarization competition assay as describ...


US Patent US10730870 (2020)

More data for this
Ligand-Target Pair
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