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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Palmitoleoyl-protein carboxylesterase NOTUM' and Ligand = 'BDBM601033'   
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
Palmitoleoyl-protein carboxylesterase NOTUM


(Homo sapiens (Human))
BDBM601033
PNG
(1-[2,4-dichloro-3-(trifluoromethyl)phenyl]triazole...)
Show SMILES FC(F)(F)c1c(Cl)ccc(c1Cl)-n1ccnn1
PDB

UniProtKB/SwissProt

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PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 4.60n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00162
BindingDB Entry DOI: 10.7270/Q2KH0SDZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Palmitoleoyl-protein carboxylesterase NOTUM


(Homo sapiens (Human))
BDBM601033
PNG
(1-[2,4-dichloro-3-(trifluoromethyl)phenyl]triazole...)
Show SMILES FC(F)(F)c1c(Cl)ccc(c1Cl)-n1ccnn1
PDB

UniProtKB/SwissProt

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MCE
PC cid
PC sid
PDB
UniChem
PDB
n/an/a 6.10n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2ZS31FM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Palmitoleoyl-protein carboxylesterase NOTUM


(Homo sapiens (Human))
BDBM601033
PNG
(1-[2,4-dichloro-3-(trifluoromethyl)phenyl]triazole...)
Show SMILES FC(F)(F)c1c(Cl)ccc(c1Cl)-n1ccnn1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
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MCE
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 6.30n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00162
BindingDB Entry DOI: 10.7270/Q2KH0SDZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Palmitoleoyl-protein carboxylesterase NOTUM


(Homo sapiens (Human))
BDBM601033
PNG
(1-[2,4-dichloro-3-(trifluoromethyl)phenyl]triazole...)
Show SMILES FC(F)(F)c1c(Cl)ccc(c1Cl)-n1ccnn1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 6.5n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01974
BindingDB Entry DOI: 10.7270/Q2NP28F9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Palmitoleoyl-protein carboxylesterase NOTUM


(Homo sapiens (Human))
BDBM601033
PNG
(1-[2,4-dichloro-3-(trifluoromethyl)phenyl]triazole...)
Show SMILES FC(F)(F)c1c(Cl)ccc(c1Cl)-n1ccnn1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 170n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00162
BindingDB Entry DOI: 10.7270/Q2KH0SDZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Palmitoleoyl-protein carboxylesterase NOTUM


(Homo sapiens (Human))
BDBM601033
PNG
(1-[2,4-dichloro-3-(trifluoromethyl)phenyl]triazole...)
Show SMILES FC(F)(F)c1c(Cl)ccc(c1Cl)-n1ccnn1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/an/an/a 110n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00162
BindingDB Entry DOI: 10.7270/Q2KH0SDZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)