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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'VHL complex' and Ligand = 'BDBM454848'   
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))
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
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
US Patent
n/an/a 16.3n/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))
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
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
US Patent
n/an/a 542n/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))
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
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
US Patent
n/an/a 1.56E+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