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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'VHL complex' and Ligand = 'BDBM454910'   
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))
BDBM454910
PNG
(US10730870, Example 77 | US11512083, Example 77)
Show SMILES COc1cccc(CCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(cc2)-c2scnc2C)C(C)(C)C)c1 |r|
Show InChI InChI=1S/C32H40N4O5S/c1-20-28(42-19-34-20)23-12-9-22(10-13-23)17-33-30(39)26-16-24(37)18-36(26)31(40)29(32(2,3)4)35-27(38)14-11-21-7-6-8-25(15-21)41-5/h6-10,12-13,15,19,24,26,29,37H,11,14,16-18H2,1-5H3,(H,33,39)(H,35,38)/t24-,26+,29-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
US Patent
n/an/a 349n/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))
BDBM454910
PNG
(US10730870, Example 77 | US11512083, Example 77)
Show SMILES COc1cccc(CCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(cc2)-c2scnc2C)C(C)(C)C)c1 |r|
Show InChI InChI=1S/C32H40N4O5S/c1-20-28(42-19-34-20)23-12-9-22(10-13-23)17-33-30(39)26-16-24(37)18-36(26)31(40)29(32(2,3)4)35-27(38)14-11-21-7-6-8-25(15-21)41-5/h6-10,12-13,15,19,24,26,29,37H,11,14,16-18H2,1-5H3,(H,33,39)(H,35,38)/t24-,26+,29-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
US Patent
n/an/a 550n/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