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BDBM50118642 5-Amino-2-[(S)-2-((S)-4-amino-4-carboxy-butyrylamino)-4-methyl-pentanoylamino]-pentanoic acid::CHEMBL328493

SMILES: CC(C)C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)N[C@@H](CCCN)C(O)=O

InChI Key: InChIKey=NZQGXDSCMFIXES-SRVKXCTJSA-N

Data: 2 KI  1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50118642   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glutathionylspermidine synthase


(Crithidia fasciculata)
BDBM50118642
PNG
(5-Amino-2-[(S)-2-((S)-4-amino-4-carboxy-butyrylami...)
Show SMILES CC(C)C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)N[C@@H](CCCN)C(O)=O
Show InChI InChI=1S/C16H30N4O6/c1-9(2)8-12(19-13(21)6-5-10(18)15(23)24)14(22)20-11(16(25)26)4-3-7-17/h9-12H,3-8,17-18H2,1-2H3,(H,19,21)(H,20,22)(H,23,24)(H,25,26)/t10-,11-,12-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.00E+4n/an/an/an/an/an/an/an/a



University of Antwerp (UIA)

Curated by ChEMBL


Assay Description
Inhibitory constant against glutathionylspermidine synthetase (GspS) in Crithidia fasciculata


Bioorg Med Chem Lett 12: 2703-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00538-3
BindingDB Entry DOI: 10.7270/Q2MS3S34
More data for this
Ligand-Target Pair
Glutathionylspermidine synthase


(Crithidia fasciculata)
BDBM50118642
PNG
(5-Amino-2-[(S)-2-((S)-4-amino-4-carboxy-butyrylami...)
Show SMILES CC(C)C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)N[C@@H](CCCN)C(O)=O
Show InChI InChI=1S/C16H30N4O6/c1-9(2)8-12(19-13(21)6-5-10(18)15(23)24)14(22)20-11(16(25)26)4-3-7-17/h9-12H,3-8,17-18H2,1-2H3,(H,19,21)(H,20,22)(H,23,24)(H,25,26)/t10-,11-,12-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.90E+4n/an/an/an/an/an/an/an/a



University of Antwerp (UIA)

Curated by ChEMBL


Assay Description
Inhibitory constant against glutathionylspermidine synthetase (GspS) in Crithidia fasciculata


Bioorg Med Chem Lett 12: 2703-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00538-3
BindingDB Entry DOI: 10.7270/Q2MS3S34
More data for this
Ligand-Target Pair
Glutathionylspermidine synthase


(Crithidia fasciculata)
BDBM50118642
PNG
(5-Amino-2-[(S)-2-((S)-4-amino-4-carboxy-butyrylami...)
Show SMILES CC(C)C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)N[C@@H](CCCN)C(O)=O
Show InChI InChI=1S/C16H30N4O6/c1-9(2)8-12(19-13(21)6-5-10(18)15(23)24)14(22)20-11(16(25)26)4-3-7-17/h9-12H,3-8,17-18H2,1-2H3,(H,19,21)(H,20,22)(H,23,24)(H,25,26)/t10-,11-,12-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.03E+4n/an/an/an/an/an/a



University of Antwerp (UIA)

Curated by ChEMBL


Assay Description
Tested against glutathionylspermidine synthetase (GspS) in Crithidia fasciculata


Bioorg Med Chem Lett 12: 2703-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00538-3
BindingDB Entry DOI: 10.7270/Q2MS3S34
More data for this
Ligand-Target Pair