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SMILES: Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](C2CCCC2)N2Cc3ccccc3C2=O)cc1

InChI Key: InChIKey=YMRFUSDFDQZOFK-STXQHDJLSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 454875   
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))
BDBM454875
PNG
(US10730870, Example 38 | US11512083, Example 38)
Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](C2CCCC2)N2Cc3ccccc3C2=O)cc1 |r|
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
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
US Patent
n/an/a 2.19E+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))
BDBM454875
PNG
(US10730870, Example 38 | US11512083, Example 38)
Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](C2CCCC2)N2Cc3ccccc3C2=O)cc1 |r|
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
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
US Patent
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)


BindingDB Entry DOI: 10.7270/Q2WD43MN
More data for this
Ligand-Target Pair
VHL complex


(Homo sapiens (Human))
BDBM454875
PNG
(US10730870, Example 38 | US11512083, Example 38)
Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](C2CCCC2)N2Cc3ccccc3C2=O)cc1 |r|
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
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
US Patent
n/an/a 1.09E+3n/an/an/an/an/an/a


TBA

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...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20K2DC4
More data for this
Ligand-Target Pair
VHL complex


(Homo sapiens (Human))
BDBM454875
PNG
(US10730870, Example 38 | US11512083, Example 38)
Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](C2CCCC2)N2Cc3ccccc3C2=O)cc1 |r|
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
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
US Patent
n/an/a 2.19E+3n/an/an/an/an/an/a


TBA

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...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20K2DC4
More data for this
Ligand-Target Pair
VHL complex


(Homo sapiens (Human))
BDBM454875
PNG
(US10730870, Example 38 | US11512083, Example 38)
Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](C2CCCC2)N2Cc3ccccc3C2=O)cc1 |r|
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
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
US Patent
n/an/a 758n/an/an/an/an/an/a


TBA

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...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20K2DC4
More data for this
Ligand-Target Pair
von Hippel-Lindau disease tumor suppressor


(Homo sapiens (Human))
BDBM454875
PNG
(US10730870, Example 38 | US11512083, Example 38)
Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](C2CCCC2)N2Cc3ccccc3C2=O)cc1 |r|
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
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
US Patent
n/an/a 1.09E+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