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PubMed code 30148361

Compile data set for download or QSAR
Found 7 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glutaminase liver isoform, mitochondrial


(Homo sapiens)
BDBM50531311
PNG
(CHEMBL4452796)
Show SMILES CCCCCCCCCCC[C@H](CC1=CC(O)C=C(OC)C1O)OC(C)=O
Show InChI InChI=1S/C22H38O5/c1-4-5-6-7-8-9-10-11-12-13-20(27-17(2)23)15-18-14-19(24)16-21(26-3)22(18)25/h14,16,19-20,22,24-25H,4-13,15H2,1-3H3/t19?,20-,22?/m1/s1
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PC sid
UniChem
Article
PubMed
n/an/a 260n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of GLS2 (unknown origin)


J Med Chem 62: 1096-1115 (2019)


Article DOI: 10.1021/acs.jmedchem.8b00961
More data for this
Ligand-Target Pair
Glutaminase liver isoform, mitochondrial


(Homo sapiens)
BDBM50531313
PNG
(CHEMBL4552664)
Show SMILES CCCCCCCCCCCCCC(CC1=CC(=O)C=C(OC)C1=O)OC(C)=O
Show InChI InChI=1S/C24H38O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-22(29-19(2)25)17-20-16-21(26)18-23(28-3)24(20)27/h16,18,22H,4-15,17H2,1-3H3
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PC sid
UniChem
Article
PubMed
n/an/a 280n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of GLS2 (unknown origin)


J Med Chem 62: 1096-1115 (2019)


Article DOI: 10.1021/acs.jmedchem.8b00961
More data for this
Ligand-Target Pair
Glutaminase liver isoform, mitochondrial


(Homo sapiens)
BDBM50531314
PNG
(CHEMBL4472618)
Show SMILES CCCCCCCCCCC[C@H](CC1=CC(=O)C=C(OC)C1=O)OC(C)=O
Show InChI InChI=1S/C22H34O5/c1-4-5-6-7-8-9-10-11-12-13-20(27-17(2)23)15-18-14-19(24)16-21(26-3)22(18)25/h14,16,20H,4-13,15H2,1-3H3/t20-/m1/s1
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KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 290n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of GLS2 (unknown origin)


J Med Chem 62: 1096-1115 (2019)


Article DOI: 10.1021/acs.jmedchem.8b00961
More data for this
Ligand-Target Pair
Glutaminase liver isoform, mitochondrial


(Homo sapiens)
BDBM50531315
PNG
(CHEMBL4463619)
Show SMILES CCCCCCCCCCCCCC1=CC(=O)C=C(OC)C1=O
Show InChI InChI=1S/C20H32O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-15-18(21)16-19(23-2)20(17)22/h15-16H,3-14H2,1-2H3
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n/an/a 3.25E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of GLS2 (unknown origin)


J Med Chem 62: 1096-1115 (2019)


Article DOI: 10.1021/acs.jmedchem.8b00961
More data for this
Ligand-Target Pair
Glutaminase liver isoform, mitochondrial


(Homo sapiens)
BDBM50531316
PNG
(CHEMBL4550999)
Show SMILES CCCCCCCCCCCCCCCC1=CC(=O)C=C(OC)C1=O
Show InChI InChI=1S/C22H36O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-17-20(23)18-21(25-2)22(19)24/h17-18H,3-16H2,1-2H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of GLS2 (unknown origin)


J Med Chem 62: 1096-1115 (2019)


Article DOI: 10.1021/acs.jmedchem.8b00961
More data for this
Ligand-Target Pair
Glutaminase liver isoform, mitochondrial


(Homo sapiens)
BDBM50531312
PNG
(CHEMBL4439275)
Show SMILES CCCCCCCC1=CC(O)C=C(C1)OC
Show InChI InChI=1S/C14H24O2/c1-3-4-5-6-7-8-12-9-13(15)11-14(10-12)16-2/h9,11,13,15H,3-8,10H2,1-2H3
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PC sid
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of GLS2 (unknown origin)


J Med Chem 62: 1096-1115 (2019)


Article DOI: 10.1021/acs.jmedchem.8b00961
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50400050
PNG
(CHEMBL2177757 | US10793535, Cmpd ID 1 | US8604016,...)
Show SMILES O=C(Cc1ccccc1)Nc1nnc(CCSCCc2nnc(NC(=O)Cc3ccccc3)s2)s1
Show InChI InChI=1S/C24H24N6O2S3/c31-19(15-17-7-3-1-4-8-17)25-23-29-27-21(34-23)11-13-33-14-12-22-28-30-24(35-22)26-20(32)16-18-9-5-2-6-10-18/h1-10H,11-16H2,(H,25,29,31)(H,26,30,32)
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Similars

PDB
Article
PubMed
n/an/an/a 200n/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human C-terminal His-tagged GLS1 after 3 hrs in presence of glycine by GDH coupled assay


J Med Chem 62: 1096-1115 (2019)


Article DOI: 10.1021/acs.jmedchem.8b00961
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
* indicates data uncertainty>20%