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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'VHL complex' and Ligand = 'BDBM454891'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
VHL complex


(Homo sapiens (Human))
BDBM454891
PNG
(US10730870, Example 54 | US11512083, Example 54)
Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)C2(CCCCC2)N2Cc3ccccc3C2=O)cc1 |r|
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
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
US Patent
n/an/a 834n/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))
BDBM454891
PNG
(US10730870, Example 54 | US11512083, Example 54)
Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)C2(CCCCC2)N2Cc3ccccc3C2=O)cc1 |r|
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
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
US Patent
n/an/a 1.21E+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