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Compile Data Set for Download or QSAR

Found 132 hits of kd for UniProtKB: P40337   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
von Hippel-Lindau disease tumor suppressor


(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 |r|
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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US Patent
n/an/an/a 10n/an/an/an/an/a



ARVINAS OPERATIONS, INC.; YALE UNIVERSITY

US Patent


Assay Description
The surface plasmon resonance (SPR) experiments were conducted on a Biacore3000 (GE Healthcare). His-tagged VHL protein was immobilized on a carboxym...


US Patent US10730870 (2020)


BindingDB Entry DOI: 10.7270/Q2WD43MN
More data for this
Ligand-Target Pair
von Hippel-Lindau disease tumor suppressor


(Homo sapiens (Human))
BDBM50404375
PNG
(CHEMBL5274307)
Show SMILES COc1cc2ccc(cc2cc1OC)S(=O)(=O)NC(CCCNC(N)=N)C(=O)N1CCC(CC1C(O)=O)c1ccccc1
Show InChI InChI=1S/C30H37N5O7S/c1-41-26-17-20-10-11-23(15-22(20)18-27(26)42-2)43(39,40)34-24(9-6-13-33-30(31)32)28(36)35-14-12-21(16-25(35)29(37)38)19-7-4-3-5-8-19/h3-5,7-8,10-11,15,17-18,21,24-25,34H,6,9,12-14,16H2,1-2H3,(H,37,38)(H4,31,32,33)
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n/an/an/a 11n/an/an/an/an/a


TBA

Assay Description
In vitro antagonism of the 5-HT-3 receptor determined by inhibition of 5-HT-induced depolarization of the isolated rat vagus nerve.


Citation and Details
More data for this
Ligand-Target Pair
von Hippel-Lindau disease tumor suppressor


(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 |r,c:43|
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 34n/an/an/an/an/a


TBA

Assay Description
Binding affinity to N-terminal His6-tagged VHL (54 to 213 residues) (unknown origin) expressed in Escherichia coli assessed as displacement of HIF-1a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01496
BindingDB Entry DOI: 10.7270/Q29P35H7
More data for this
Ligand-Target Pair
von Hippel-Lindau disease tumor suppressor


(Homo sapiens (Human))
BDBM50581595
PNG
(CHEMBL4215078)
Show SMILES C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)COCCCOCCNC(=O)C[C@@H]1N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Cl)cc1)C(C)(C)C)c1ccc(cc1)-c1scnc1C |r,c:31|
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n/an/an/a 34n/an/an/an/an/a


TBA

Assay Description
Binding affinity to N-terminal His6-tagged VHL (54 to 213 residues) (unknown origin) expressed in Escherichia coli assessed as displacement of HIF-1a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01496
BindingDB Entry DOI: 10.7270/Q29P35H7
More data for this
Ligand-Target Pair
von Hippel-Lindau disease tumor suppressor


(Homo sapiens (Human))
BDBM50586757
PNG
(CHEMBL5089280)
Show SMILES [H][C@]1(N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Cl)cc1)[C@@H](CC)C(=O)OCCOCCCOCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](C)c1ccc(cc1)-c1scnc1C)C(C)(C)C |r,c:2|
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n/an/an/a 45n/an/an/an/an/a


TBA

Assay Description
Binding affinity to VHL (unknown origin) assessed as displacement of HIF-1alpha by binary binding competitive fluorescence polarization assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01532
BindingDB Entry DOI: 10.7270/Q23N27B7
More data for this
Ligand-Target Pair
von Hippel-Lindau disease tumor suppressor


(Homo sapiens (Human))
BDBM50611349
PNG
(CHEMBL5283149)
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TBA



Citation and Details
More data for this
Ligand-Target Pair
von Hippel-Lindau disease tumor suppressor


(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 |r|
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 58n/an/an/an/an/a


TBA

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


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00265
BindingDB Entry DOI: 10.7270/Q2Q243Z4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
von Hippel-Lindau disease tumor suppressor


(Homo sapiens (Human))
BDBM50581599
PNG
(CHEMBL5087181)
Show SMILES C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)COCCCOCCOC(=O)C[C@@H]1N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Cl)cc1)C(C)(C)C)c1ccc(cc1)-c1scnc1C |r,c:31|
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TBA

Assay Description
Binding affinity to N-terminal His6-tagged VHL (54 to 213 residues) (unknown origin) expressed in Escherichia coli assessed as displacement of HIF-1a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01496
BindingDB Entry DOI: 10.7270/Q29P35H7
More data for this
Ligand-Target Pair
von Hippel-Lindau disease tumor suppressor


(Homo sapiens (Human))
BDBM50581597
PNG
(CHEMBL5074720)
Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCCOCCNC(=O)C[C@@H]2N=C(c3c(C)c(C)sc3-n3c(C)nnc23)c2ccc(Cl)cc2)C(C)(C)C)cc1 |r,c:41|
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TBA

Assay Description
Binding affinity to N-terminal His6-tagged VHL (54 to 213 residues) (unknown origin) expressed in Escherichia coli assessed as displacement of HIF-1a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01496
BindingDB Entry DOI: 10.7270/Q29P35H7
More data for this
Ligand-Target Pair
von Hippel-Lindau disease tumor suppressor


(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 |r,c:43|
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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TBA



Citation and Details
More data for this
Ligand-Target Pair
von Hippel-Lindau disease tumor suppressor


(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 |r|
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 90n/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Binding affinity to VHL (unknown origin)


J Med Chem 62: 5725-5749 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01596
BindingDB Entry DOI: 10.7270/Q2QF8X9V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
von Hippel-Lindau disease tumor suppressor


(Homo sapiens (Human))
BDBM50581596
PNG
(CHEMBL5075400)
Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCCCCOCCNC(=O)C[C@@H]2N=C(c3c(C)c(C)sc3-n3c(C)nnc23)c2ccc(Cl)cc2)C(C)(C)C)cc1 |r,c:43|
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n/an/an/a 98n/an/an/an/an/a


TBA

Assay Description
Binding affinity to N-terminal His6-tagged VHL (54 to 213 residues) (unknown origin) expressed in Escherichia coli assessed as displacement of HIF-1a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01496
BindingDB Entry DOI: 10.7270/Q29P35H7
More data for this
Ligand-Target Pair
von Hippel-Lindau disease tumor suppressor


(Homo sapiens (Human))
BDBM50586758
PNG
(CHEMBL5081978)
Show SMILES [H][C@]1(N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Cl)cc1)[C@@H](CC)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 |r,c:2|
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n/an/an/a 102n/an/an/an/an/a


TBA

Assay Description
Binding affinity to VHL (unknown origin) assessed as displacement of HIF-1alpha by binary binding competitive fluorescence polarization assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01532
BindingDB Entry DOI: 10.7270/Q23N27B7
More data for this
Ligand-Target Pair
von Hippel-Lindau disease tumor suppressor


(Homo sapiens (Human))
BDBM50099062
PNG
(CHEMBL3344081 | US10730870, Example 3 | US11512083...)
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 |r|
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 113n/an/an/an/an/a


TBA

Assay Description
Binding affinity to N-terminal His6-tagged VHL (54 to 213 residues) (unknown origin) expressed in Escherichia coli assessed as displacement of HIF-1a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01496
BindingDB Entry DOI: 10.7270/Q29P35H7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
von Hippel-Lindau disease tumor suppressor


(Homo sapiens (Human))
BDBM50581587
PNG
(CHEMBL5087145)
Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCNC(=O)Cc2ccccc2)C(C)(C)C)cc1 |r|
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TBA

Assay Description
Binding affinity to N-terminal His6-tagged VHL (54 to 213 residues) (unknown origin) expressed in Escherichia coli assessed as displacement of HIF-1a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01496
BindingDB Entry DOI: 10.7270/Q29P35H7
More data for this
Ligand-Target Pair
von Hippel-Lindau disease tumor suppressor


(Homo sapiens (Human))
BDBM50099062
PNG
(CHEMBL3344081 | US10730870, Example 3 | US11512083...)
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 |r|
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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US Patent
n/an/an/a 120n/an/an/an/an/a



ARVINAS OPERATIONS, INC.; YALE UNIVERSITY

US Patent


Assay Description
The surface plasmon resonance (SPR) experiments were conducted on a Biacore3000 (GE Healthcare). His-tagged VHL protein was immobilized on a carboxym...


US Patent US10730870 (2020)


BindingDB Entry DOI: 10.7270/Q2WD43MN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
von Hippel-Lindau disease tumor suppressor


(Homo sapiens (Human))
BDBM50586756
PNG
(CHEMBL5089544)
Show SMILES [H][C@]1(N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Cl)cc1)[C@@H](CC)C(=O)OCCOCCOCCOCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1scnc1C)C(C)(C)C |r,c:2|
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TBA

Assay Description
Binding affinity to VHL (unknown origin) assessed as displacement of HIF-1alpha by binary binding competitive fluorescence polarization assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01532
BindingDB Entry DOI: 10.7270/Q23N27B7
More data for this
Ligand-Target Pair
von Hippel-Lindau disease tumor suppressor


(Homo sapiens (Human))
BDBM50581588
PNG
(CHEMBL5082521)
Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCOC(=O)Cc2ccccc2)C(C)(C)C)cc1 |r|
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n/an/an/a 136n/an/an/an/an/a


TBA

Assay Description
Binding affinity to N-terminal His6-tagged VHL (54 to 213 residues) (unknown origin) expressed in Escherichia coli assessed as displacement of HIF-1a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01496
BindingDB Entry DOI: 10.7270/Q29P35H7
More data for this
Ligand-Target Pair
von Hippel-Lindau disease tumor suppressor


(Homo sapiens (Human))
BDBM50581589
PNG
(CHEMBL4793272)
Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCOCCOCCOCCNC(=O)Cc2ccccc2)C(C)(C)C)cc1 |r|
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TBA

Assay Description
Binding affinity to N-terminal His6-tagged VHL (54 to 213 residues) (unknown origin) expressed in Escherichia coli assessed as displacement of HIF-1a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01496
BindingDB Entry DOI: 10.7270/Q29P35H7
More data for this
Ligand-Target Pair
von Hippel-Lindau disease tumor suppressor


(Homo sapiens (Human))
BDBM50581601
PNG
(CHEMBL5079045)
Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCCOCCOC(=O)C[C@@H]2N=C(c3c(C)c(C)sc3-n3c(C)nnc23)c2ccc(Cl)cc2)C(C)(C)C)cc1 |r,c:41|
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TBA

Assay Description
Binding affinity to N-terminal His6-tagged VHL (54 to 213 residues) (unknown origin) expressed in Escherichia coli assessed as displacement of HIF-1a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01496
BindingDB Entry DOI: 10.7270/Q29P35H7
More data for this
Ligand-Target Pair
von Hippel-Lindau disease tumor suppressor


(Homo sapiens (Human))
BDBM50581590
PNG
(CHEMBL5081396)
Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCOCCOCCOCCOC(=O)Cc2ccccc2)C(C)(C)C)cc1 |r|
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TBA

Assay Description
Binding affinity to N-terminal His6-tagged VHL (54 to 213 residues) (unknown origin) expressed in Escherichia coli assessed as displacement of HIF-1a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01496
BindingDB Entry DOI: 10.7270/Q29P35H7
More data for this
Ligand-Target Pair
von Hippel-Lindau disease tumor suppressor


(Homo sapiens (Human))
BDBM50581592
PNG
(CHEMBL5094871)
Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCOCCOCCNC(=O)Cc2ccccc2)C(C)(C)C)cc1 |r|
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n/an/an/a 170n/an/an/an/an/a


TBA

Assay Description
Binding affinity to N-terminal His6-tagged VHL (54 to 213 residues) (unknown origin) expressed in Escherichia coli assessed as displacement of HIF-1a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01496
BindingDB Entry DOI: 10.7270/Q29P35H7
More data for this
Ligand-Target Pair
von Hippel-Lindau disease tumor suppressor


(Homo sapiens (Human))
BDBM50581591
PNG
(CHEMBL5087530)
Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCOCCNC(=O)Cc2ccccc2)C(C)(C)C)cc1 |r|
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TBA

Assay Description
Binding affinity to N-terminal His6-tagged VHL (54 to 213 residues) (unknown origin) expressed in Escherichia coli assessed as displacement of HIF-1a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01496
BindingDB Entry DOI: 10.7270/Q29P35H7
More data for this
Ligand-Target Pair
von Hippel-Lindau disease tumor suppressor


(Homo sapiens (Human))
BDBM50099062
PNG
(CHEMBL3344081 | US10730870, Example 3 | US11512083...)
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 |r|
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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TBA



Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
von Hippel-Lindau disease tumor suppressor


(Homo sapiens (Human))
BDBM50099062
PNG
(CHEMBL3344081 | US10730870, Example 3 | US11512083...)
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 |r|
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 N-terminal His6-tagged pVHL (54 to 213 amino acids) (unknown origin) expressed in Escherichia coli BL21 (DE3) by isothermal titra...


J Med Chem 57: 8657-63 (2014)


Article DOI: 10.1021/jm5011258
BindingDB Entry DOI: 10.7270/Q2HD7XDM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
von Hippel-Lindau disease tumor suppressor


(Homo sapiens (Human))
BDBM50581593
PNG
(CHEMBL5086047)
Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCOCCOC(=O)Cc2ccccc2)C(C)(C)C)cc1 |r|
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TBA

Assay Description
Binding affinity to N-terminal His6-tagged VHL (54 to 213 residues) (unknown origin) expressed in Escherichia coli assessed as displacement of HIF-1a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01496
BindingDB Entry DOI: 10.7270/Q29P35H7
More data for this
Ligand-Target Pair
von Hippel-Lindau disease tumor suppressor


(Homo sapiens (Human))
BDBM50581594
PNG
(CHEMBL5086897)
Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCOCCOCCOC(=O)Cc2ccccc2)C(C)(C)C)cc1 |r|
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TBA

Assay Description
Binding affinity to N-terminal His6-tagged VHL (54 to 213 residues) (unknown origin) expressed in Escherichia coli assessed as displacement of HIF-1a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01496
BindingDB Entry DOI: 10.7270/Q29P35H7
More data for this
Ligand-Target Pair
von Hippel-Lindau disease tumor suppressor


(Homo sapiens (Human))
BDBM50581600
PNG
(CHEMBL5086339)
Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCCCCOCCOC(=O)C[C@@H]2N=C(c3c(C)c(C)sc3-n3c(C)nnc23)c2ccc(Cl)cc2)C(C)(C)C)cc1 |r,c:43|
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n/an/an/a 236n/an/an/an/an/a


TBA

Assay Description
Binding affinity to N-terminal His6-tagged VHL (54 to 213 residues) (unknown origin) expressed in Escherichia coli assessed as displacement of HIF-1a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01496
BindingDB Entry DOI: 10.7270/Q29P35H7
More data for this
Ligand-Target Pair
von Hippel-Lindau disease tumor suppressor


(Homo sapiens (Human))
BDBM454980
PNG
(US10730870, Example 207)
Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H](C(C)C)c1cc(C)no1)c1ccc(cc1)-c1scnc1C |r|
Show InChI InChI=1S/C27H34N4O4S/c1-6-21(18-7-9-19(10-8-18)25-17(5)28-14-36-25)29-26(33)22-12-20(32)13-31(22)27(34)24(15(2)3)23-11-16(4)30-35-23/h7-11,14-15,20-22,24,32H,6,12-13H2,1-5H3,(H,29,33)/t20-,21+,22+,24-/m1/s1
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n/an/an/a 240n/an/an/an/an/a



ARVINAS OPERATIONS, INC.; YALE UNIVERSITY

US Patent


Assay Description
The surface plasmon resonance (SPR) experiments were conducted on a Biacore3000 (GE Healthcare). His-tagged VHL protein was immobilized on a carboxym...


US Patent US10730870 (2020)


BindingDB Entry DOI: 10.7270/Q2WD43MN
More data for this
Ligand-Target Pair
von Hippel-Lindau disease tumor suppressor


(Homo sapiens (Human))
BDBM50581598
PNG
(CHEMBL5081695)
Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCOC(=O)C[C@@H]2N=C(c3c(C)c(C)sc3-n3c(C)nnc23)c2ccc(Cl)cc2)C(C)(C)C)cc1 |r,c:43|
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TBA

Assay Description
Binding affinity to N-terminal His6-tagged VHL (54 to 213 residues) (unknown origin) expressed in Escherichia coli assessed as displacement of HIF-1a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01496
BindingDB Entry DOI: 10.7270/Q29P35H7
More data for this
Ligand-Target Pair
von Hippel-Lindau disease tumor suppressor


(Homo sapiens (Human))
BDBM50099055
PNG
(CHEMBL3344088)
Show SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1scnc1C)C(C)(C)C |r|
Show InChI InChI=1S/C33H41N5O5S/c1-20-28(44-19-35-20)24-13-11-23(12-14-24)17-34-31(42)27-16-25(40)18-38(27)32(43)29(33(3,4)5)37-30(41)26(36-21(2)39)15-22-9-7-6-8-10-22/h6-14,19,25-27,29,40H,15-18H2,1-5H3,(H,34,42)(H,36,39)(H,37,41)/t25-,26+,27+,29-/m1/s1
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n/an/an/a 291n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged pVHL (54 to 213 amino acids) (unknown origin) expressed in Escherichia coli BL21 (DE3) by isothermal titra...


J Med Chem 57: 8657-63 (2014)


Article DOI: 10.1021/jm5011258
BindingDB Entry DOI: 10.7270/Q2HD7XDM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
von Hippel-Lindau disease tumor suppressor


(Homo sapiens (Human))
BDBM454979
PNG
(US10730870, Example 205)
Show SMILES CC(C)[C@@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](C)c1ccc(cc1)-c1scnc1C)c1cc(C)no1 |r|
Show InChI InChI=1S/C26H32N4O4S/c1-14(2)23(22-10-15(3)29-34-22)26(33)30-12-20(31)11-21(30)25(32)28-16(4)18-6-8-19(9-7-18)24-17(5)27-13-35-24/h6-10,13-14,16,20-21,23,31H,11-12H2,1-5H3,(H,28,32)/t16-,20+,21-,23+/m0/s1
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n/an/an/a 330n/an/an/an/an/a



ARVINAS OPERATIONS, INC.; YALE UNIVERSITY

US Patent


Assay Description
The surface plasmon resonance (SPR) experiments were conducted on a Biacore3000 (GE Healthcare). His-tagged VHL protein was immobilized on a carboxym...


US Patent US10730870 (2020)


BindingDB Entry DOI: 10.7270/Q2WD43MN
More data for this
Ligand-Target Pair
von Hippel-Lindau disease tumor suppressor


(Homo sapiens (Human))
BDBM50099058
PNG
(CHEMBL3344084)
Show SMILES CC(=O)N1CCCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1scnc1C |r|
Show InChI InChI=1S/C24H30N4O4S/c1-15-22(33-14-26-15)18-8-6-17(7-9-18)12-25-23(31)21-11-19(30)13-28(21)24(32)20-5-3-4-10-27(20)16(2)29/h6-9,14,19-21,30H,3-5,10-13H2,1-2H3,(H,25,31)/t19-,20+,21+/m1/s1
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University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged pVHL (54 to 213 amino acids) (unknown origin) expressed in Escherichia coli BL21 (DE3) by isothermal titra...


J Med Chem 57: 8657-63 (2014)


Article DOI: 10.1021/jm5011258
BindingDB Entry DOI: 10.7270/Q2HD7XDM
More data for this
Ligand-Target Pair
von Hippel-Lindau disease tumor suppressor


(Homo sapiens (Human))
BDBM454858
PNG
(US10730870, Example 21 | US11512083, 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 |r|
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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TBA

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


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00265
BindingDB Entry DOI: 10.7270/Q2Q243Z4
More data for this
Ligand-Target Pair
von Hippel-Lindau disease tumor suppressor


(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 |r|
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/an/a 500n/an/an/an/an/a



BenevolentBio

Curated by ChEMBL


Assay Description
Binding affinity to VHL (unknown origin) assessed as reduction of HIF1alpha derived peptide binding to VHL complex by competitive binding fluorescenc...


J Med Chem 61: 444-452 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01272
BindingDB Entry DOI: 10.7270/Q22R3V26
More data for this
Ligand-Target Pair
von Hippel-Lindau disease tumor suppressor


(Homo sapiens (Human))
BDBM50099056
PNG
(CHEMBL3344087)
Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1scnc1C)C(C)(C)C |r|
Show InChI InChI=1S/C30H43N5O5S/c1-17(2)12-23(33-19(4)36)27(38)34-26(30(5,6)7)29(40)35-15-22(37)13-24(35)28(39)31-14-20-8-10-21(11-9-20)25-18(3)32-16-41-25/h8-11,16-17,22-24,26,37H,12-15H2,1-7H3,(H,31,39)(H,33,36)(H,34,38)/t22-,23+,24+,26-/m1/s1
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n/an/an/a 588n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged pVHL (54 to 213 amino acids) (unknown origin) expressed in Escherichia coli BL21 (DE3) by isothermal titra...


J Med Chem 57: 8657-63 (2014)


Article DOI: 10.1021/jm5011258
BindingDB Entry DOI: 10.7270/Q2HD7XDM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
von Hippel-Lindau disease tumor suppressor


(Homo sapiens (Human))
BDBM50099060
PNG
(CHEMBL3344083)
Show SMILES CC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1scnc1C |r|
Show InChI InChI=1S/C23H28N4O4S/c1-14-21(32-13-25-14)17-7-5-16(6-8-17)11-24-22(30)20-10-18(29)12-27(20)23(31)19-4-3-9-26(19)15(2)28/h5-8,13,18-20,29H,3-4,9-12H2,1-2H3,(H,24,30)/t18-,19+,20+/m1/s1
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n/an/an/a 714n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged pVHL (54 to 213 amino acids) (unknown origin) expressed in Escherichia coli BL21 (DE3) by isothermal titra...


J Med Chem 57: 8657-63 (2014)


Article DOI: 10.1021/jm5011258
BindingDB Entry DOI: 10.7270/Q2HD7XDM
More data for this
Ligand-Target Pair
von Hippel-Lindau disease tumor suppressor


(Homo sapiens (Human))
BDBM50561318
PNG
(CHEMBL4782620)
Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](OC(=O)Cc2ccccc2)C(C)(C)C)cc1 |r|
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n/an/an/a 800n/an/an/an/an/a


TBA

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


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00265
BindingDB Entry DOI: 10.7270/Q2Q243Z4
More data for this
Ligand-Target Pair
von Hippel-Lindau disease tumor suppressor


(Homo sapiens (Human))
BDBM50099061
PNG
(CHEMBL3344082)
Show SMILES CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1scnc1C)c1ccccc1 |r|
Show InChI InChI=1S/C26H28N4O4S/c1-16-24(35-15-28-16)20-10-8-18(9-11-20)13-27-25(33)22-12-21(32)14-30(22)26(34)23(29-17(2)31)19-6-4-3-5-7-19/h3-11,15,21-23,32H,12-14H2,1-2H3,(H,27,33)(H,29,31)/t21-,22+,23+/m1/s1
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n/an/an/a 826n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged pVHL (54 to 213 amino acids) (unknown origin) expressed in Escherichia coli BL21 (DE3) by isothermal titra...


J Med Chem 57: 8657-63 (2014)


Article DOI: 10.1021/jm5011258
BindingDB Entry DOI: 10.7270/Q2HD7XDM
More data for this
Ligand-Target Pair
von Hippel-Lindau disease tumor suppressor


(Homo sapiens (Human))
BDBM50099057
PNG
(CHEMBL3344086)
Show SMILES C[C@H](NC(C)=O)C(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1scnc1C)C(C)(C)C |r|
Show InChI InChI=1S/C27H37N5O5S/c1-15-22(38-14-29-15)19-9-7-18(8-10-19)12-28-25(36)21-11-20(34)13-32(21)26(37)23(27(4,5)6)31-24(35)16(2)30-17(3)33/h7-10,14,16,20-21,23,34H,11-13H2,1-6H3,(H,28,36)(H,30,33)(H,31,35)/t16-,20+,21-,23+/m0/s1
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n/an/an/a 943n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged pVHL (54 to 213 amino acids) (unknown origin) expressed in Escherichia coli BL21 (DE3) by isothermal titra...


J Med Chem 57: 8657-63 (2014)


Article DOI: 10.1021/jm5011258
BindingDB Entry DOI: 10.7270/Q2HD7XDM
More data for this
Ligand-Target Pair
von Hippel-Lindau disease tumor suppressor


(Homo sapiens (Human))
BDBM622037
PNG
(US20230312542, Example 159)
Show SMILES COc1cc(on1)C(C(C)C)C(=O)N1C[C@H](O)C[C@H]1c1nc(c[nH]1)C(=O)N(C)[C@H](C)C(=O)NCc1ccccc1 |r,w:7.8|
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antibodypedia
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PC cid
PC sid
UniChem
n/an/an/a<1.00E+3n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
von Hippel-Lindau disease tumor suppressor


(Homo sapiens (Human))
BDBM622036
PNG
(US20230312542, Example 158)
Show SMILES COc1cc(on1)C(C(C)C)C(=O)N1C[C@H](O)C[C@H]1c1nc(c[nH]1)C(=O)N(C)CCNc1ccccc1 |r,w:7.8|
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antibodypedia
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PC cid
PC sid
UniChem
n/an/an/a<1.00E+3n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
von Hippel-Lindau disease tumor suppressor


(Homo sapiens (Human))
BDBM622034
PNG
(US20230312542, Example 154)
Show SMILES COc1cc(on1)C(C(C)C)C(=O)N1C[C@H](O)C[C@H]1c1nc(c[nH]1)C(=O)N(C)Cc1ccc(cc1)-c1ccc(C)nc1 |r,w:7.8|
PDB

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antibodypedia
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PC cid
PC sid
UniChem
n/an/an/a<1.00E+3n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
von Hippel-Lindau disease tumor suppressor


(Homo sapiens (Human))
BDBM622033
PNG
(US20230312542, Example 153)
Show SMILES COc1cc(on1)C(C(C)C)C(=O)N1C[C@H](O)C[C@H]1c1nc(c[nH]1)C(=O)N(C)Cc1ccc(cc1)-c1ccnc(C)c1 |r,w:7.8|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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PC cid
PC sid
UniChem
n/an/an/a<1.00E+3n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
von Hippel-Lindau disease tumor suppressor


(Homo sapiens (Human))
BDBM622023
PNG
(US20230312542, Example 111)
Show SMILES COc1cc(on1)C(C(C)C)C(=O)N1C[C@H](O)C[C@H]1c1nc(c[nH]1)C(=O)N1CCC(C1)c1ccccc1 |r,w:7.8,29.34|
PDB

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antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
n/an/an/a<1.00E+3n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
von Hippel-Lindau disease tumor suppressor


(Homo sapiens (Human))
BDBM622022
PNG
(US20230312542, Example 108)
Show SMILES COc1cc(on1)C(C(C)C)C(=O)N1C[C@H](O)C[C@H]1c1nc(c[nH]1)C(=O)N1CC(C1)c1ccccc1 |r,w:7.8|
PDB

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UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
n/an/an/a<1.00E+3n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
von Hippel-Lindau disease tumor suppressor


(Homo sapiens (Human))
BDBM622021
PNG
(US20230312542, Example 107)
Show SMILES COc1cc(on1)C(C(C)C)C(=O)N1C[C@H](O)C[C@H]1c1nc(c[nH]1)C(=O)N1CCC(C1)Oc1ccccc1 |r,w:7.8,29.34|
PDB

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UniProtKB/SwissProt

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antibodypedia
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PC cid
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UniChem
n/an/an/a<1.00E+3n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
von Hippel-Lindau disease tumor suppressor


(Homo sapiens (Human))
BDBM621993
PNG
(US20230312542, Example 44)
Show SMILES COc1cc(on1)C(C(C)C)C(=O)N1C[C@H](O)C[C@H]1c1ncc([nH]1)-c1cccc(c1)-c1scnc1C |r,w:7.8|
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antibodypedia
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PC cid
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UniChem
n/an/an/a<1.00E+3n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
von Hippel-Lindau disease tumor suppressor


(Homo sapiens (Human))
BDBM621998
PNG
(US20230312542, Example 54)
Show SMILES COc1cc(on1)C(C(C)C)C(=O)N1C[C@H](O)C[C@H]1c1nc(c[nH]1)C(=O)N(C)Cc1ccc(cc1)-c1scnc1C |r,w:7.8|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/a<1.00E+3n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
von Hippel-Lindau disease tumor suppressor


(Homo sapiens (Human))
BDBM50099059
PNG
(CHEMBL3344085)
Show SMILES CC(=O)N1C[C@H](O)C[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1scnc1C |r|
Show InChI InChI=1S/C23H28N4O5S/c1-13-21(33-12-25-13)16-5-3-15(4-6-16)9-24-22(31)19-7-17(29)11-27(19)23(32)20-8-18(30)10-26(20)14(2)28/h3-6,12,17-20,29-30H,7-11H2,1-2H3,(H,24,31)/t17-,18-,19+,20+/m1/s1
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Article
PubMed
n/an/an/a 1.10E+3n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged pVHL (54 to 213 amino acids) (unknown origin) expressed in Escherichia coli BL21 (DE3) by isothermal titra...


J Med Chem 57: 8657-63 (2014)


Article DOI: 10.1021/jm5011258
BindingDB Entry DOI: 10.7270/Q2HD7XDM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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