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Compile Data Set for Download or QSAR

Found 11 hits with Last Name = 'salviati' and Initial = 'e'   
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
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM109086
PNG
(US10793535, Cmpd ID 727 | US8604016, 670 | US99382...)
Show SMILES FC(F)(F)Oc1cccc(CC(=O)Nc2ccc(CCCCc3nnc(NC(=O)Cc4ccccn4)s3)nn2)c1
Show InChI InChI=1S/C26H24F3N7O3S/c27-26(28,29)39-20-9-5-6-17(14-20)15-22(37)31-21-12-11-18(33-34-21)7-1-2-10-24-35-36-25(40-24)32-23(38)16-19-8-3-4-13-30-19/h3-6,8-9,11-14H,1-2,7,10,15-16H2,(H,31,34,37)(H,32,36,38)
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Article
PubMed
n/an/a 310n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114233
BindingDB Entry DOI: 10.7270/Q2RJ4PG1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Potassium voltage-gated channel subfamily KQT member 2/3


(Homo sapiens (Human))
BDBM50595542
PNG
(CHEMBL5204124)
Show SMILES CC(C)(C)CC(=O)Nc1ccc(NCc2ccc(cc2)C(F)(F)F)c(F)c1N
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n/an/an/an/a 3.20E+3n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00911
BindingDB Entry DOI: 10.7270/Q2X92GB4
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 2/3


(Homo sapiens (Human))
BDBM50535681
PNG
(CHEMBL4438095)
Show SMILES CCOC(=O)Nc1ccc(NCc2ccc(cc2)C(F)(F)F)c(F)c1N
Show InChI InChI=1S/C17H17F4N3O2/c1-2-26-16(25)24-13-8-7-12(14(18)15(13)22)23-9-10-3-5-11(6-4-10)17(19,20)21/h3-8,23H,2,9,22H2,1H3,(H,24,25)
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n/an/an/an/a 4.00E+3n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00911
BindingDB Entry DOI: 10.7270/Q2X92GB4
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 2/3


(Homo sapiens (Human))
BDBM50143558
PNG
(CHEMBL41355 | EZOGABINE | N-(2-amino-4-(4-fluorobe...)
Show SMILES CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)cc1N
Show InChI InChI=1S/C16H18FN3O2/c1-2-22-16(21)20-15-8-7-13(9-14(15)18)19-10-11-3-5-12(17)6-4-11/h3-9,19H,2,10,18H2,1H3,(H,20,21)
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n/an/an/an/a 2.50E+3n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00911
BindingDB Entry DOI: 10.7270/Q2X92GB4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Potassium voltage-gated channel subfamily KQT member 2/3


(Homo sapiens (Human))
BDBM50595542
PNG
(CHEMBL5204124)
Show SMILES CC(C)(C)CC(=O)Nc1ccc(NCc2ccc(cc2)C(F)(F)F)c(F)c1N
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n/an/an/an/a 150n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00911
BindingDB Entry DOI: 10.7270/Q2X92GB4
More data for this
Ligand-Target Pair
Glutaminase liver isoform, mitochondrial


(Homo sapiens)
BDBM50593582
PNG
(CHEMBL5179292)
Show SMILES Br.Fc1ccc2n(CCCCN3CCOCC3)cc(-c3nc(cs3)-c3c[nH]c4ncccc34)c2c1
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n/an/an/an/a 1.29E+4n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114233
BindingDB Entry DOI: 10.7270/Q2RJ4PG1
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 2/3


(Homo sapiens (Human))
BDBM50595542
PNG
(CHEMBL5204124)
Show SMILES CC(C)(C)CC(=O)Nc1ccc(NCc2ccc(cc2)C(F)(F)F)c(F)c1N
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PC cid
PC sid
UniChem
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n/an/an/an/a 60n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00911
BindingDB Entry DOI: 10.7270/Q2X92GB4
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 2/3


(Homo sapiens (Human))
BDBM50535681
PNG
(CHEMBL4438095)
Show SMILES CCOC(=O)Nc1ccc(NCc2ccc(cc2)C(F)(F)F)c(F)c1N
Show InChI InChI=1S/C17H17F4N3O2/c1-2-26-16(25)24-13-8-7-12(14(18)15(13)22)23-9-10-3-5-11(6-4-10)17(19,20)21/h3-8,23H,2,9,22H2,1H3,(H,24,25)
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n/an/an/an/a 270n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00911
BindingDB Entry DOI: 10.7270/Q2X92GB4
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50593582
PNG
(CHEMBL5179292)
Show SMILES Br.Fc1ccc2n(CCCCN3CCOCC3)cc(-c3nc(cs3)-c3c[nH]c4ncccc34)c2c1
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UniChem
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n/an/an/an/a 3.96E+3n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114233
BindingDB Entry DOI: 10.7270/Q2RJ4PG1
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 2/3


(Homo sapiens (Human))
BDBM50143558
PNG
(CHEMBL41355 | EZOGABINE | N-(2-amino-4-(4-fluorobe...)
Show SMILES CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)cc1N
Show InChI InChI=1S/C16H18FN3O2/c1-2-22-16(21)20-15-8-7-13(9-14(15)18)19-10-11-3-5-12(17)6-4-11/h3-9,19H,2,10,18H2,1H3,(H,20,21)
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PC cid
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n/an/an/an/a 1.12E+4n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00911
BindingDB Entry DOI: 10.7270/Q2X92GB4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Potassium voltage-gated channel subfamily KQT member 2/3


(Homo sapiens (Human))
BDBM50535681
PNG
(CHEMBL4438095)
Show SMILES CCOC(=O)Nc1ccc(NCc2ccc(cc2)C(F)(F)F)c(F)c1N
Show InChI InChI=1S/C17H17F4N3O2/c1-2-26-16(25)24-13-8-7-12(14(18)15(13)22)23-9-10-3-5-11(6-4-10)17(19,20)21/h3-8,23H,2,9,22H2,1H3,(H,24,25)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 240n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00911
BindingDB Entry DOI: 10.7270/Q2X92GB4
More data for this
Ligand-Target Pair