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BDBM50088973 2-Amino-4-[1-(carboxymethyl-carbamoyl)-2-(3-oxo-cyclohexylsulfanyl)-ethylcarbamoyl]-butyric acid::CHEMBL175098

SMILES: NC(CCC(=O)NC(CSC1CCCC(=O)C1)C(=O)NCC(O)=O)C(O)=O

InChI Key: InChIKey=VWJBEXOFRIALNB-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50088973   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glutathione S-transferase A2


(Homo sapiens (Human))
BDBM50088973
PNG
(2-Amino-4-[1-(carboxymethyl-carbamoyl)-2-(3-oxo-cy...)
Show SMILES NC(CCC(=O)NC(CSC1CCCC(=O)C1)C(=O)NCC(O)=O)C(O)=O
Show InChI InChI=1S/C16H25N3O7S/c17-11(16(25)26)4-5-13(21)19-12(15(24)18-7-14(22)23)8-27-10-3-1-2-9(20)6-10/h10-12H,1-8,17H2,(H,18,24)(H,19,21)(H,22,23)(H,25,26)
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 2.20E+5n/an/an/an/an/an/a



University of Wales

Curated by ChEMBL


Assay Description
The compound was tested for it's inhibitory activity against Onchocerca volvulus Glutathione S-transferase 2


Bioorg Med Chem Lett 10: 979-81 (2000)


Article DOI: 10.1016/s0960-894x(00)00142-6
BindingDB Entry DOI: 10.7270/Q2BZ6589
More data for this
Ligand-Target Pair
Glutathione transferase (GST)


(Homo sapiens (Human))
BDBM50088973
PNG
(2-Amino-4-[1-(carboxymethyl-carbamoyl)-2-(3-oxo-cy...)
Show SMILES NC(CCC(=O)NC(CSC1CCCC(=O)C1)C(=O)NCC(O)=O)C(O)=O
Show InChI InChI=1S/C16H25N3O7S/c17-11(16(25)26)4-5-13(21)19-12(15(24)18-7-14(22)23)8-27-10-3-1-2-9(20)6-10/h10-12H,1-8,17H2,(H,18,24)(H,19,21)(H,22,23)(H,25,26)
PDB

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UniProtKB/TrEMBL

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.50E+5n/an/an/an/an/an/a



University of Wales

Curated by ChEMBL


Assay Description
Inhibitory activity against human Glutathione S-transferase P


Bioorg Med Chem Lett 10: 979-81 (2000)


Article DOI: 10.1016/s0960-894x(00)00142-6
BindingDB Entry DOI: 10.7270/Q2BZ6589
More data for this
Ligand-Target Pair