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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Ubiquitin carboxyl-terminal hydrolase 5' and Ligand = 'BDBM50412352'   
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
Ubiquitin carboxyl-terminal hydrolase 5


(Homo sapiens (Human))
BDBM50412352
PNG
(CHEMBL5278336)
Show SMILES CCCCc1nc2cc(NC(=O)c3ccc(Cl)cc3)ccc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C32H28ClN3O3/c1-2-3-8-30-35-28-19-25(34-31(37)23-13-15-24(33)16-14-23)17-18-29(28)36(30)20-21-9-11-22(12-10-21)26-6-4-5-7-27(26)32(38)39/h4-7,9-19H,2-3,8,20H2,1H3,(H,34,37)(H,38,39)
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n/an/a 800n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of AChE in organophosphate-susceptible clone of Schizaphis graminum OSS adult or last-instar nymphs homogenates assessed as bimolecular ra...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Ubiquitin carboxyl-terminal hydrolase 5


(Homo sapiens (Human))
BDBM50412352
PNG
(CHEMBL5278336)
Show SMILES CCCCc1nc2cc(NC(=O)c3ccc(Cl)cc3)ccc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C32H28ClN3O3/c1-2-3-8-30-35-28-19-25(34-31(37)23-13-15-24(33)16-14-23)17-18-29(28)36(30)20-21-9-11-22(12-10-21)26-6-4-5-7-27(26)32(38)39/h4-7,9-19H,2-3,8,20H2,1H3,(H,34,37)(H,38,39)
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n/an/a 7.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of AChE in organophosphate-resistant clone of Schizaphis graminum OR1 adult or last-instar nymphs homogenates assessed as bimolecular rate...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Ubiquitin carboxyl-terminal hydrolase 5


(Homo sapiens (Human))
BDBM50412352
PNG
(CHEMBL5278336)
Show SMILES CCCCc1nc2cc(NC(=O)c3ccc(Cl)cc3)ccc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C32H28ClN3O3/c1-2-3-8-30-35-28-19-25(34-31(37)23-13-15-24(33)16-14-23)17-18-29(28)36(30)20-21-9-11-22(12-10-21)26-6-4-5-7-27(26)32(38)39/h4-7,9-19H,2-3,8,20H2,1H3,(H,34,37)(H,38,39)
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n/an/a 2.60E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of AChE in organophosphate-susceptible clone of Schizaphis graminum OSS adult or last-instar nymphs homogenates assessed as bimolecular ra...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Ubiquitin carboxyl-terminal hydrolase 5


(Homo sapiens (Human))
BDBM50412352
PNG
(CHEMBL5278336)
Show SMILES CCCCc1nc2cc(NC(=O)c3ccc(Cl)cc3)ccc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C32H28ClN3O3/c1-2-3-8-30-35-28-19-25(34-31(37)23-13-15-24(33)16-14-23)17-18-29(28)36(30)20-21-9-11-22(12-10-21)26-6-4-5-7-27(26)32(38)39/h4-7,9-19H,2-3,8,20H2,1H3,(H,34,37)(H,38,39)
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n/an/a 4.60E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of AChE in organophosphate-resistant clone of Schizaphis graminum OR1 adult or last-instar nymphs homogenates assessed as bimolecular rate...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Ubiquitin carboxyl-terminal hydrolase 5


(Homo sapiens (Human))
BDBM50412352
PNG
(CHEMBL5278336)
Show SMILES CCCCc1nc2cc(NC(=O)c3ccc(Cl)cc3)ccc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C32H28ClN3O3/c1-2-3-8-30-35-28-19-25(34-31(37)23-13-15-24(33)16-14-23)17-18-29(28)36(30)20-21-9-11-22(12-10-21)26-6-4-5-7-27(26)32(38)39/h4-7,9-19H,2-3,8,20H2,1H3,(H,34,37)(H,38,39)
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n/an/an/a 2.80E+3n/an/an/an/an/a


TBA

Assay Description
Binding affinity to Human immunodeficiency virus 1 reverse transcriptase


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Ubiquitin carboxyl-terminal hydrolase 5


(Homo sapiens (Human))
BDBM50412352
PNG
(CHEMBL5278336)
Show SMILES CCCCc1nc2cc(NC(=O)c3ccc(Cl)cc3)ccc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C32H28ClN3O3/c1-2-3-8-30-35-28-19-25(34-31(37)23-13-15-24(33)16-14-23)17-18-29(28)36(30)20-21-9-11-22(12-10-21)26-6-4-5-7-27(26)32(38)39/h4-7,9-19H,2-3,8,20H2,1H3,(H,34,37)(H,38,39)
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PC cid
PC sid
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PDB
n/an/an/a 8.00E+3n/an/an/an/an/a


TBA

Assay Description
Inhibition of AChE in organophosphate-resistant clone of Schizaphis graminum OR1 adult or last-instar nymphs homogenates assessed as bimolecular rate...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)