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Compile Data Set for Download or QSAR

Found 3 hits of affinity data for UniProtKB/TrEMBL: O75351   
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
Vacuolar protein sorting-associated protein 4B


(Homo sapiens)
BDBM50514006
PNG
(CHEMBL4572843)
Show SMILES Fc1ccc(cc1)C(CCCNCC1CCc2[nH]c3ccc(F)cc3c2C1)c1ccc(F)cc1
Show InChI InChI=1S/C29H29F3N2/c30-22-8-4-20(5-9-22)25(21-6-10-23(31)11-7-21)2-1-15-33-18-19-3-13-28-26(16-19)27-17-24(32)12-14-29(27)34-28/h4-12,14,17,19,25,33-34H,1-3,13,15-16,18H2
PDB

UniProtKB/SwissProt

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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 710n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of VPS4B (unknown origin) assessed as reduction in ATPase activity in presence of activating fragment of substrate CHMP1B


J Med Chem 63: 1892-1907 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01318
BindingDB Entry DOI: 10.7270/Q2N58QQC
More data for this
Ligand-Target Pair
Vacuolar protein sorting-associated protein 4B


(Homo sapiens)
BDBM50514006
PNG
(CHEMBL4572843)
Show SMILES Fc1ccc(cc1)C(CCCNCC1CCc2[nH]c3ccc(F)cc3c2C1)c1ccc(F)cc1
Show InChI InChI=1S/C29H29F3N2/c30-22-8-4-20(5-9-22)25(21-6-10-23(31)11-7-21)2-1-15-33-18-19-3-13-28-26(16-19)27-17-24(32)12-14-29(27)34-28/h4-12,14,17,19,25,33-34H,1-3,13,15-16,18H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 710n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113446
BindingDB Entry DOI: 10.7270/Q24Q7ZXF
More data for this
Ligand-Target Pair
Vacuolar protein sorting-associated protein 4B


(Homo sapiens)
BDBM50514006
PNG
(CHEMBL4572843)
Show SMILES Fc1ccc(cc1)C(CCCNCC1CCc2[nH]c3ccc(F)cc3c2C1)c1ccc(F)cc1
Show InChI InChI=1S/C29H29F3N2/c30-22-8-4-20(5-9-22)25(21-6-10-23(31)11-7-21)2-1-15-33-18-19-3-13-28-26(16-19)27-17-24(32)12-14-29(27)34-28/h4-12,14,17,19,25,33-34H,1-3,13,15-16,18H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 710n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of VPS4B (unknown origin) by malachite green assay


J Med Chem 63: 1892-1907 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01318
BindingDB Entry DOI: 10.7270/Q2N58QQC
More data for this
Ligand-Target Pair