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Compile Data Set for Download or QSAR

Found 611 hits of ic50 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))
BDBM552704
PNG
((2S,4R)-l-((2S)-2-(adamantan-l-yl)-2-(4-cyclopropy...)
Show SMILES C[C@H](NC(=O)C1C[C@@H](O)CN1C(=O)[C@H](C1C2CC3CC(C2)CC1C3)n1cc(nn1)C1CC1)c1ccc(cc1)-c1scnc1C |wU:1.0,7.7,wD:13.27,TLB:13:14:16:18.19.20,THB:18:17:14:19.20.21,18:19:14:16.17.23,21:19:16:14.22.23,21:22:16:18.19.20,(-8.1,-4.77,;-8.14,-3.23,;-6.83,-2.42,;-5.47,-3.15,;-5.43,-4.69,;-4.16,-2.34,;-4.05,-.81,;-2.55,-.44,;-1.96,.98,;-1.74,-1.75,;-2.74,-2.93,;-2.37,-4.42,;-3.49,-5.49,;-.9,-4.86,;.22,-3.79,;1.59,-3.1,;2.96,-3.79,;3.8,-2.32,;3.8,-.92,;2.43,-.23,;1.59,-1.7,;1.06,-.92,;1.06,-2.32,;2.43,-3.02,;-.53,-6.35,;.89,-6.94,;.77,-8.47,;-.72,-8.84,;-1.53,-7.53,;1.95,-9.47,;3.46,-9.75,;2.47,-10.92,;-9.5,-2.5,;-10.81,-3.3,;-12.16,-2.57,;-12.21,-1.03,;-10.9,-.23,;-9.54,-.96,;-13.56,-.3,;-13.77,1.22,;-15.28,1.5,;-16.01,.15,;-14.95,-.97,;-15.23,-2.48,)|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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PC cid
PC sid
UniChem
WIPO WO2022103411
n/an/a<5n/an/an/an/an/an/a


TBA

Assay Description
The VHL NanoBRET™ Target Engagement Assay analyzes the apparent affinity of test compounds for VHL in cells by competitive displacement of a VHL Nano...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WM1HMJ
More data for this
Ligand-Target Pair
von Hippel-Lindau disease tumor suppressor


(Homo sapiens (Human))
BDBM552703
PNG
((2S,4R)-l-((S)-2-cyclohexyl-2-(4-cyclopropyl-lH-l,...)
Show SMILES C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H](C1CCCCC1)n1cc(nn1)C1CC1)c1ccc(cc1)-c1scnc1C |r|
PDB

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PC cid
PC sid
UniChem
WIPO WO2022103411
n/an/a<5n/an/an/an/an/an/a


TBA

Assay Description
The VHL NanoBRET™ Target Engagement Assay analyzes the apparent affinity of test compounds for VHL in cells by competitive displacement of a VHL Nano...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WM1HMJ
More data for this
Ligand-Target Pair
von Hippel-Lindau disease tumor suppressor


(Homo sapiens (Human))
BDBM552705
PNG
((2S,4R)-l-((S)-2-(4-cyclopropyl-lH-l ,2,3-triazol-...)
Show SMILES CCC(C)(C)[C@@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](C)c1ccc(cc1)-c1scnc1C)n1cc(nn1)C1CC1 |r|
PDB

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UniChem
WIPO WO2022103411
n/an/a<5n/an/an/an/an/an/a


TBA

Assay Description
The VHL NanoBRET™ Target Engagement Assay analyzes the apparent affinity of test compounds for VHL in cells by competitive displacement of a VHL Nano...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WM1HMJ
More data for this
Ligand-Target Pair
von Hippel-Lindau disease tumor suppressor


(Homo sapiens (Human))
BDBM552729
PNG
((2S,4R)-l-((S)-2-(4-cyclopropyl-lH-l,2,3-triazol-l...)
Show SMILES Cc1ncsc1-c1ccc2[C@H](CCCCc2c1)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](n1cc(nn1)C1CC1)C(C)(C)C
PDB

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UniChem
WIPO WO2022103411
n/an/a<5n/an/an/an/an/an/a


TBA

Assay Description
The VHL NanoBRET™ Target Engagement Assay analyzes the apparent affinity of test compounds for VHL in cells by competitive displacement of a VHL Nano...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WM1HMJ
More data for this
Ligand-Target Pair
von Hippel-Lindau disease tumor suppressor


(Homo sapiens (Human))
BDBM552708
PNG
((2S,4R)-l-((S)-2-cyclohexyl-2-(4-cyclopropyl-lH-l,...)
Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](C2CCCCC2)n2cc(nn2)C2CC2)cc1 |r|
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UniChem
WIPO WO2022103411
n/an/a<5n/an/an/an/an/an/a


TBA

Assay Description
The VHL NanoBRET™ Target Engagement Assay analyzes the apparent affinity of test compounds for VHL in cells by competitive displacement of a VHL Nano...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WM1HMJ
More data for this
Ligand-Target Pair
von Hippel-Lindau disease tumor suppressor


(Homo sapiens (Human))
BDBM552702
PNG
((2S,4R)-l-((S)-2-(4-cyclopropyl-lH-l,2,3-triazol-l...)
Show SMILES C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](n1cc(nn1)C1CC1)C(C)(C)C)c1ccc(cc1)-c1scnc1C |r|
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PC sid
UniChem
WIPO WO2022103411
n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
The VHL NanoBRET™ Target Engagement Assay analyzes the apparent affinity of test compounds for VHL in cells by competitive displacement of a VHL Nano...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WM1HMJ
More data for this
Ligand-Target Pair
von Hippel-Lindau disease tumor suppressor


(Homo sapiens (Human))
BDBM552711
PNG
((2S,4R)-l-((S)-3,3-dimethyl-2-(4-(l-methylcyclopro...)
Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](n2cc(nn2)C2(C)CC2)C(C)(C)C)cc1 |r|
PDB

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UniChem
WIPO WO2022103411
n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
The VHL NanoBRET™ Target Engagement Assay analyzes the apparent affinity of test compounds for VHL in cells by competitive displacement of a VHL Nano...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WM1HMJ
More data for this
Ligand-Target Pair
von Hippel-Lindau disease tumor suppressor


(Homo sapiens (Human))
BDBM552706
PNG
((2S,4R)-N-(l-(2-chloro-4-(4-methylthia7,ol-5-yl)ph...)
Show SMILES CC(NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](n1cc(nn1)C1CC1)C(C)(C)C)c1ccc(cc1Cl)-c1scnc1C |r|
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UniChem
WIPO WO2022103411
n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
The VHL NanoBRET™ Target Engagement Assay analyzes the apparent affinity of test compounds for VHL in cells by competitive displacement of a VHL Nano...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WM1HMJ
More data for this
Ligand-Target Pair
von Hippel-Lindau disease tumor suppressor


(Homo sapiens (Human))
BDBM552726
PNG
((2S,4R)-l-((S)-2-(4-cyclopropyl-lH-l,2,3-triazol-l...)
Show SMILES C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](n1cc(nn1)C1CC1)C(C)(C)C)c1ccc(cc1)-c1ccccc1F |r|
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WIPO WO2022103411
n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
The VHL NanoBRET™ Target Engagement Assay analyzes the apparent affinity of test compounds for VHL in cells by competitive displacement of a VHL Nano...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WM1HMJ
More data for this
Ligand-Target Pair
von Hippel-Lindau disease tumor suppressor


(Homo sapiens (Human))
BDBM552731
PNG
((2S, 4R)-N-((S)-l-(2'-chloro-[l,r-biphenyl]-4-yl)e...)
Show SMILES C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](n1cc(nn1)C1CC1)C(C)(C)C)c1ccc(cc1)-c1ccccc1Cl |r|
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UniChem
WIPO WO2022103411
n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
The VHL NanoBRET™ Target Engagement Assay analyzes the apparent affinity of test compounds for VHL in cells by competitive displacement of a VHL Nano...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WM1HMJ
More data for this
Ligand-Target Pair
von Hippel-Lindau disease tumor suppressor


(Homo sapiens (Human))
BDBM552686
PNG
((2S,4R)-l-((S)-2-(4-cyclopropyl-lH-l,2,3-triazol-l...)
Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](n2cc(nn2)C2CC2)C(C)(C)C)cc1 |r|
PDB

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PC sid
UniChem
WIPO WO2022103411
n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
The VHL NanoBRET™ Target Engagement Assay analyzes the apparent affinity of test compounds for VHL in cells by competitive displacement of a VHL Nano...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WM1HMJ
More data for this
Ligand-Target Pair
von Hippel-Lindau disease tumor suppressor


(Homo sapiens (Human))
BDBM552686
PNG
((2S,4R)-l-((S)-2-(4-cyclopropyl-lH-l,2,3-triazol-l...)
Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](n2cc(nn2)C2CC2)C(C)(C)C)cc1 |r|
PDB

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UniProtKB/SwissProt

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PC sid
UniChem
WIPO WO2022103411
n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
The binding of test compounds to the VHL Elongin B/C complex was measured using a fluorescence polarization tracer competition assay. The VHL / Elong...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WM1HMJ
More data for this
Ligand-Target Pair
von Hippel-Lindau disease tumor suppressor


(Homo sapiens (Human))
BDBM454848
PNG
(US10730870, Example 11 | US11512083, 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 |r|
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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US Patent
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)


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


(Homo sapiens (Human))
BDBM552709
PNG
((2S,4R)-l-((S)-2-(4-cyclopropyl-lH-l,2,3-triazol-l...)
Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](n2cc(nn2)C2CC2)C(C)(C)c2ccccc2)cc1 |r|
PDB

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PC cid
PC sid
UniChem
WIPO WO2022103411
n/an/a 20n/an/an/an/an/an/a


TBA

Assay Description
The VHL NanoBRET™ Target Engagement Assay analyzes the apparent affinity of test compounds for VHL in cells by competitive displacement of a VHL Nano...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WM1HMJ
More data for this
Ligand-Target Pair
von Hippel-Lindau disease tumor suppressor


(Homo sapiens (Human))
BDBM552707
PNG
((2S,4R)-l-((2S)-2-(adamantan-l-yl)-2-(4-cyclopropy...)
Show SMILES CC(NC(=O)C1C[C@@H](O)CN1C(=O)[C@H](C1C2CC3CC(C2)CC1C3)n1cc(nn1)C1CC1)c1ccc(cc1Cl)-c1scnc1C |wU:7.7,wD:13.27,TLB:13:14:16:18.19.20,THB:18:17:14:19.20.21,18:19:14:16.17.23,21:19:16:14.22.23,21:22:16:18.19.20,(-8.1,-4.77,;-8.14,-3.23,;-6.83,-2.42,;-5.47,-3.15,;-5.43,-4.69,;-4.16,-2.34,;-4.05,-.81,;-2.55,-.44,;-1.96,.98,;-1.74,-1.75,;-2.74,-2.93,;-2.37,-4.42,;-3.49,-5.49,;-.9,-4.86,;.22,-3.79,;1.59,-3.1,;2.96,-3.79,;3.8,-2.32,;3.8,-.92,;2.43,-.23,;1.59,-1.7,;1.06,-.92,;1.06,-2.32,;2.43,-3.02,;-.53,-6.35,;.89,-6.94,;.77,-8.47,;-.72,-8.84,;-1.53,-7.53,;1.95,-9.47,;3.46,-9.75,;2.47,-10.92,;-9.5,-2.5,;-9.54,-.96,;-10.9,-.23,;-12.21,-1.03,;-12.16,-2.57,;-10.81,-3.3,;-10.76,-4.84,;-13.56,-.3,;-13.77,1.22,;-15.28,1.5,;-16.01,.15,;-14.95,-.97,;-15.23,-2.48,)|
PDB

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UniChem
WIPO WO2022103411
n/an/a 20n/an/an/an/an/an/a


TBA

Assay Description
The VHL NanoBRET™ Target Engagement Assay analyzes the apparent affinity of test compounds for VHL in cells by competitive displacement of a VHL Nano...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WM1HMJ
More data for this
Ligand-Target Pair
von Hippel-Lindau disease tumor suppressor


(Homo sapiens (Human))
BDBM552687
PNG
((2S,4R)-l-((S)-2-(4-benzyl-lH-l,2,3-triazol-l-yl)-...)
Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](n2cc(Cc3ccccc3)nn2)C(C)(C)C)cc1 |r|
PDB

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antibodypedia
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PC sid
UniChem
WIPO WO2022103411
n/an/a 20n/an/an/an/an/an/a


TBA

Assay Description
The binding of test compounds to the VHL Elongin B/C complex was measured using a fluorescence polarization tracer competition assay. The VHL / Elong...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WM1HMJ
More data for this
Ligand-Target Pair
von Hippel-Lindau disease tumor suppressor


(Homo sapiens (Human))
BDBM552712
PNG
(WO2022103411, Compound 30 | WO2022103411, Example ...)
Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](n2cc(nn2)C2(CC2)C#C)C(C)(C)C)cc1 |r|
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UniChem
WIPO WO2022103411
n/an/a 20n/an/an/an/an/an/a


TBA

Assay Description
The VHL NanoBRET™ Target Engagement Assay analyzes the apparent affinity of test compounds for VHL in cells by competitive displacement of a VHL Nano...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WM1HMJ
More data for this
Ligand-Target Pair
von Hippel-Lindau disease tumor suppressor


(Homo sapiens (Human))
BDBM552687
PNG
((2S,4R)-l-((S)-2-(4-benzyl-lH-l,2,3-triazol-l-yl)-...)
Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](n2cc(Cc3ccccc3)nn2)C(C)(C)C)cc1 |r|
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UniChem
WIPO WO2022103411
n/an/a 20n/an/an/an/an/an/a


TBA

Assay Description
The VHL NanoBRET™ Target Engagement Assay analyzes the apparent affinity of test compounds for VHL in cells by competitive displacement of a VHL Nano...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WM1HMJ
More data for this
Ligand-Target Pair
von Hippel-Lindau disease tumor suppressor


(Homo sapiens (Human))
BDBM50615679
PNG
(CHEMBL4449823)
PDB

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n/an/a 27n/an/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))
BDBM50615681
PNG
(CHEMBL5277721)
PDB

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n/an/a 29n/an/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))
BDBM552728
PNG
((2S, 4R)-l-((S)-2-(4-cyclopropyl-lH-l,2,3-triazol-...)
Show SMILES CC(C)(C)[C@@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1ccccc1F)n1cc(nn1)C1CC1 |r|
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WIPO WO2022103411
n/an/a 30n/an/an/an/an/an/a


TBA

Assay Description
The VHL NanoBRET™ Target Engagement Assay analyzes the apparent affinity of test compounds for VHL in cells by competitive displacement of a VHL Nano...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WM1HMJ
More data for this
Ligand-Target Pair
von Hippel-Lindau disease tumor suppressor


(Homo sapiens (Human))
BDBM552710
PNG
((2S,4R)-l-((S)-3,3-dimethyl-2-(4-(l-(trifluorometh...)
Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](n2cc(nn2)C2(CC2)C(F)(F)F)C(C)(C)C)cc1 |r|
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WIPO WO2022103411
n/an/a 40n/an/an/an/an/an/a


TBA

Assay Description
The VHL NanoBRET™ Target Engagement Assay analyzes the apparent affinity of test compounds for VHL in cells by competitive displacement of a VHL Nano...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WM1HMJ
More data for this
Ligand-Target Pair
Elongin-B/Elongin-C [17-112]/von Hippel-Lindau disease tumor suppressor [55-213]


(Homo sapiens (Human))
BDBM536252
PNG
((2S)-1-((2S,4R)-2-(5-(4-Bromophenyl)-5-methyl-4,5-...)
Show SMILES CC(C)[C@H](C(=O)N1C[C@H](O)C[C@H]1C1=NO[C@@](C)(N1)c1ccc(Br)cc1)c1cc(C)no1 |r,t:13|
PDB
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US Patent
n/an/a 62.8n/an/an/an/an/an/a


TBA

Assay Description
The binding of test compounds to the VHL Elongin B/C complex was measured using a fluorescence polarization tracer competition assay. The VHL/Elongin...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2KW5K7X
More data for this
Ligand-Target Pair
von Hippel-Lindau disease tumor suppressor


(Homo sapiens (Human))
BDBM536252
PNG
((2S)-1-((2S,4R)-2-(5-(4-Bromophenyl)-5-methyl-4,5-...)
Show SMILES CC(C)[C@H](C(=O)N1C[C@H](O)C[C@H]1C1=NO[C@@](C)(N1)c1ccc(Br)cc1)c1cc(C)no1 |r,t:13|
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n/an/a 67.8n/an/an/an/an/an/a


TBA

Assay Description
The VHL NanoBRET™ Target Engagement Assay analyzes the apparent affinity of test compounds for VHL in cells by competitive displacement of a VHL Nano...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2KW5K7X
More data for this
Ligand-Target Pair
von Hippel-Lindau disease tumor suppressor


(Homo sapiens (Human))
BDBM454972
PNG
(US10730870, Example 141 | US11512083, Example 141)
Show SMILES CC(C)C(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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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)


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


(Homo sapiens (Human))
BDBM50615683
PNG
(CHEMBL5274336)
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Citation and Details
More data for this
Ligand-Target Pair
von Hippel-Lindau disease tumor suppressor


(Homo sapiens (Human))
BDBM552725
PNG
((2S, 4R)-l-((S)-2-(4-cyclopropyl-lH-l,2,3-triazol-...)
Show SMILES Cc1ncsc1-c1ccc(cc1)[C@@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](n1cc(nn1)C1CC1)C(C)(C)C)C(F)(F)F |r|
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The VHL NanoBRET™ Target Engagement Assay analyzes the apparent affinity of test compounds for VHL in cells by competitive displacement of a VHL Nano...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WM1HMJ
More data for this
Ligand-Target Pair
von Hippel-Lindau disease tumor suppressor


(Homo sapiens (Human))
BDBM552685
PNG
((2S,4R)-N-((R)-3-([l,l'-biphenyl]-4-yl)-l-amino-l-...)
Show SMILES CC(=O)NCCOCc1cn(nn1)[C@H](C(=O)N1C[C@H](O)CC1C(=O)N[C@H](Cc1ccc(cc1)-c1ccccc1)C(N)=O)C(C)(C)C |r|
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The binding of test compounds to the VHL Elongin B/C complex was measured using a fluorescence polarization tracer competition assay. The VHL / Elong...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WM1HMJ
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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Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of VHL (unknown origin) by fluorescence polarization assay


J Med Chem 63: 7957-7985 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01451
BindingDB Entry DOI: 10.7270/Q2QN6BBK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
von Hippel-Lindau disease tumor suppressor


(Homo sapiens (Human))
BDBM552691
PNG
((2S,4R)-N-((R)-3-([l,l'-biphenyl]-4-yl)-l-amino-l-...)
Show SMILES CCC(C)(C)[C@@H](C(=O)N1C[C@H](O)CC1C(=O)N[C@H](Cc1ccc(cc1)-c1ccccc1)C(N)=O)n1cc(nn1)C1CC1 |r|
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Assay Description
The VHL NanoBRET™ Target Engagement Assay analyzes the apparent affinity of test compounds for VHL in cells by competitive displacement of a VHL Nano...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WM1HMJ
More data for this
Ligand-Target Pair
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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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)


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


(Homo sapiens (Human))
BDBM552724
PNG
((2S,4R)-N-((R)-3-([l,l'-biphenyl]-4-yl)-l-amino-l-...)
Show SMILES CC(C)[C@@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@H](Cc1ccc(cc1)-c1ccccc1)C(N)=O)n1cc(nn1)-c1ccco1 |r|
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The VHL NanoBRET™ Target Engagement Assay analyzes the apparent affinity of test compounds for VHL in cells by competitive displacement of a VHL Nano...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WM1HMJ
More data for this
Ligand-Target Pair
von Hippel-Lindau disease tumor suppressor


(Homo sapiens (Human))
BDBM552692
PNG
((2S,4R)-N-((R)-3-([l,l'-biphenyl]-4-yl)-l-amino-l-...)
Show SMILES CC(C)(C=C)[C@@H](C(=O)N1C[C@H](O)CC1C(=O)N[C@H](Cc1ccc(cc1)-c1ccccc1)C(N)=O)n1cc(nn1)C1CC1 |r|
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The VHL NanoBRET™ Target Engagement Assay analyzes the apparent affinity of test compounds for VHL in cells by competitive displacement of a VHL Nano...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WM1HMJ
More data for this
Ligand-Target Pair
von Hippel-Lindau disease tumor suppressor


(Homo sapiens (Human))
BDBM552683
PNG
((2S,4R)-N-((R)-3-([1,1'-biphenyl]-4-yl)-l-amino-l-...)
Show SMILES CC(C)[C@@H](C(=O)N1C[C@H](O)CC1C(=O)N[C@H](Cc1ccc(cc1)-c1ccccc1)C(N)=O)n1cc(nn1)C1CC1 |r|
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TBA

Assay Description
The binding of test compounds to the VHL Elongin B/C complex was measured using a fluorescence polarization tracer competition assay. The VHL / Elong...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WM1HMJ
More data for this
Ligand-Target Pair
von Hippel-Lindau disease tumor suppressor


(Homo sapiens (Human))
BDBM552693
PNG
((2S,4R)-N-((R)-3-([l,l'-biphenyl]-4-yl)-l-amino-l-...)
Show SMILES NC(=O)[C@@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)C1C[C@@H](O)CN1C(=O)[C@H](C1C2CC3CC(C2)CC1C3)n1cc(nn1)C1CC1 |wU:3.18,22.24,wD:28.44,TLB:28:29:31:33.34.35,THB:33:32:29:34.35.36,33:34:29:31.32.38,36:34:31:29.37.38,36:37:31:33.34.35,(-6.74,-5.5,;-8.1,-4.77,;-9.41,-5.57,;-8.14,-3.23,;-9.5,-2.5,;-10.81,-3.3,;-10.76,-4.84,;-12.07,-5.65,;-13.43,-4.92,;-13.47,-3.38,;-12.16,-2.57,;-14.74,-5.73,;-14.69,-7.27,;-16.01,-8.08,;-17.36,-7.34,;-17.4,-5.81,;-16.09,-5,;-6.83,-2.42,;-5.47,-3.15,;-5.43,-4.69,;-4.16,-2.34,;-4.05,-.81,;-2.55,-.44,;-1.96,.98,;-1.74,-1.75,;-2.74,-2.93,;-2.37,-4.42,;-3.49,-5.49,;-.9,-4.86,;.22,-3.79,;1.59,-3.1,;2.96,-3.79,;3.8,-2.32,;3.8,-.92,;2.43,-.23,;1.59,-1.7,;1.06,-.92,;1.06,-2.32,;2.43,-3.02,;-.53,-6.35,;.89,-6.94,;.77,-8.47,;-.72,-8.84,;-1.53,-7.53,;1.95,-9.47,;3.46,-9.75,;2.47,-10.92,)|
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Assay Description
The VHL NanoBRET™ Target Engagement Assay analyzes the apparent affinity of test compounds for VHL in cells by competitive displacement of a VHL Nano...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WM1HMJ
More data for this
Ligand-Target Pair
von Hippel-Lindau disease tumor suppressor


(Homo sapiens (Human))
BDBM50615678
PNG
(CHEMBL5285978)
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Citation and Details
More data for this
Ligand-Target Pair
von Hippel-Lindau disease tumor suppressor


(Homo sapiens (Human))
BDBM552690
PNG
((2S,4R)-N-((R)-3-([l,l'-biphenyl]-4-yl)-l-amino-l-...)
Show SMILES CCC(C)[C@@H](C(=O)N1C[C@H](O)CC1C(=O)N[C@H](Cc1ccc(cc1)-c1ccccc1)C(N)=O)n1cc(nn1)C1CC1 |r|
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The VHL NanoBRET™ Target Engagement Assay analyzes the apparent affinity of test compounds for VHL in cells by competitive displacement of a VHL Nano...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WM1HMJ
More data for this
Ligand-Target Pair
von Hippel-Lindau disease tumor suppressor


(Homo sapiens (Human))
BDBM552684
PNG
((2S,4R)-N-((R)-3-([l,l'-biphenyl]-4-yl)-l-amino-l-...)
Show SMILES CC(C)(C)[C@@H](C(=O)N1C[C@H](O)CC1C(=O)N[C@H](Cc1ccc(cc1)-c1ccccc1)C(N)=O)n1cc(nn1)C1CC1 |r|
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TBA

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The binding of test compounds to the VHL Elongin B/C complex was measured using a fluorescence polarization tracer competition assay. The VHL / Elong...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WM1HMJ
More data for this
Ligand-Target Pair
von Hippel-Lindau disease tumor suppressor


(Homo sapiens (Human))
BDBM552696
PNG
(WO2022103411, Example S11)
Show SMILES CC(C)(C)[C@@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@H](Cc1ccc(cc1)-c1ccccc1)C(N)=O)n1cc(Cc2ccccc2)nn1 |r|
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Assay Description
The VHL NanoBRET™ Target Engagement Assay analyzes the apparent affinity of test compounds for VHL in cells by competitive displacement of a VHL Nano...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WM1HMJ
More data for this
Ligand-Target Pair
von Hippel-Lindau disease tumor suppressor


(Homo sapiens (Human))
BDBM552684
PNG
((2S,4R)-N-((R)-3-([l,l'-biphenyl]-4-yl)-l-amino-l-...)
Show SMILES CC(C)(C)[C@@H](C(=O)N1C[C@H](O)CC1C(=O)N[C@H](Cc1ccc(cc1)-c1ccccc1)C(N)=O)n1cc(nn1)C1CC1 |r|
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Assay Description
The VHL NanoBRET™ Target Engagement Assay analyzes the apparent affinity of test compounds for VHL in cells by competitive displacement of a VHL Nano...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WM1HMJ
More data for this
Ligand-Target Pair
von Hippel-Lindau disease tumor suppressor


(Homo sapiens (Human))
BDBM50615684
PNG
(CHEMBL4565531)
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Citation and Details
More data for this
Ligand-Target Pair
von Hippel-Lindau disease tumor suppressor


(Homo sapiens (Human))
BDBM454909
PNG
(US10730870, Example 76 | US11512083, 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 |r|
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)


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


(Homo sapiens (Human))
BDBM454884
PNG
(US10730870, Example 47 | US11512083, 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 |r|
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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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)


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


(Homo sapiens (Human))
BDBM50615682
PNG
(CHEMBL5269644)
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TBA



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


(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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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


(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/a 185n/an/an/an/an/an/a



Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of VHL (unknown origin) by fluorescence polarization assay


J Med Chem 63: 7957-7985 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01451
BindingDB Entry DOI: 10.7270/Q2QN6BBK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
von Hippel-Lindau disease tumor suppressor


(Homo sapiens (Human))
BDBM50615680
PNG
(CHEMBL5283593)
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Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
von Hippel-Lindau disease tumor suppressor


(Homo sapiens (Human))
BDBM552689
PNG
((2S,4R)-N-((R)-3-([l,l'-biphenyl]-4-yl)-l-amino-l-...)
Show SMILES NC(=O)[C@@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)C1C[C@@H](O)CN1C(=O)[C@H](C1CCC1)n1cc(nn1)C1CC1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
WIPO WO2022103411
n/an/a 190n/an/an/an/an/an/a


TBA

Assay Description
The VHL NanoBRET™ Target Engagement Assay analyzes the apparent affinity of test compounds for VHL in cells by competitive displacement of a VHL Nano...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WM1HMJ
More data for this
Ligand-Target Pair
von Hippel-Lindau disease tumor suppressor


(Homo sapiens (Human))
BDBM552723
PNG
((2S,4R)-N-((R)-3-([l,l'-biphenyl]-4-yl)-l-amino-l-...)
Show SMILES CC(C)[C@@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@H](Cc1ccc(cc1)-c1ccccc1)C(N)=O)n1cc(nn1)-c1cccs1 |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
WIPO WO2022103411
n/an/a 190n/an/an/an/an/an/a


TBA

Assay Description
The VHL NanoBRET™ Target Engagement Assay analyzes the apparent affinity of test compounds for VHL in cells by competitive displacement of a VHL Nano...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WM1HMJ
More data for this
Ligand-Target Pair
von Hippel-Lindau disease tumor suppressor


(Homo sapiens (Human))
BDBM552730
PNG
((2S,4R)-l-((S)-2-(4-cyclopropyl-lH-l,2,3-triazol-l...)
Show SMILES Cc1ncsc1-c1ccc2[C@@H](CCCCc2c1)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](n1cc(nn1)C1CC1)C(C)(C)C
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
WIPO WO2022103411
n/an/a 200n/an/an/an/an/an/a


TBA

Assay Description
The VHL NanoBRET™ Target Engagement Assay analyzes the apparent affinity of test compounds for VHL in cells by competitive displacement of a VHL Nano...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WM1HMJ
More data for this
Ligand-Target Pair
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