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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'VHL complex' and Ligand = 'BDBM454881'   
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))
BDBM454881
PNG
(US10730870, Example 44 | US11512083, 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 |r|
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
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
US Patent
n/an/a 385n/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))
BDBM454881
PNG
(US10730870, Example 44 | US11512083, 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 |r|
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
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
US Patent
n/an/a 465n/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