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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'VHL complex' and Ligand = 'BDBM454897'   
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))
BDBM454897
PNG
(US10730870, Example 60 | US11512083, Example 60)
Show SMILES CC(C)CCC(=O)N[C@H](CSSC[C@H](NC(=O)CCC(C)C)C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1scnc1C)C(=O)N1C[C@@H](O)C[C@@H]1C(=O)NCc1ccc(cc1)-c1scnc1C |r|
Show InChI InChI=1S/C50H66N8O8S4/c1-29(2)7-17-43(61)55-39(49(65)57-23-37(59)19-41(57)47(63)51-21-33-9-13-35(14-10-33)45-31(5)53-27-67-45)25-69-70-26-40(56-44(62)18-8-30(3)4)50(66)58-24-38(60)20-42(58)48(64)52-22-34-11-15-36(16-12-34)46-32(6)54-28-68-46/h9-16,27-30,37-42,59-60H,7-8,17-26H2,1-6H3,(H,51,63)(H,52,64)(H,55,61)(H,56,62)/t37-,38+,39+,40-,41+,42-
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
US Patent
n/an/a 293n/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))
BDBM454897
PNG
(US10730870, Example 60 | US11512083, Example 60)
Show SMILES CC(C)CCC(=O)N[C@H](CSSC[C@H](NC(=O)CCC(C)C)C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1scnc1C)C(=O)N1C[C@@H](O)C[C@@H]1C(=O)NCc1ccc(cc1)-c1scnc1C |r|
Show InChI InChI=1S/C50H66N8O8S4/c1-29(2)7-17-43(61)55-39(49(65)57-23-37(59)19-41(57)47(63)51-21-33-9-13-35(14-10-33)45-31(5)53-27-67-45)25-69-70-26-40(56-44(62)18-8-30(3)4)50(66)58-24-38(60)20-42(58)48(64)52-22-34-11-15-36(16-12-34)46-32(6)54-28-68-46/h9-16,27-30,37-42,59-60H,7-8,17-26H2,1-6H3,(H,51,63)(H,52,64)(H,55,61)(H,56,62)/t37-,38+,39+,40-,41+,42-
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
US Patent
n/an/a 1.45E+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