BDBM50118644 (S)-2-Amino-4-[1-((S)-(S)-1-carboxy-2-hydroxy-ethylcarbamoyl)-3-methyl-butylcarbamoyl]-butyric acid::CHEMBL314542

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

InChI Key: InChIKey=XGGONOBOZIOZOA-GUBZILKMSA-N

Data: 2 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50118644   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Glutathionylspermidine synthase (Crithidia fasciculata)	BDBM50118644 ((S)-2-Amino-4-[1-((S)-(S)-1-carboxy-2-hydroxy-ethy...) Show SMILES CC(C)C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)N[C@@H](CO)C(O)=O Show InChI InChI=1S/C14H25N3O7/c1-7(2)5-9(12(20)17-10(6-18)14(23)24)16-11(19)4-3-8(15)13(21)22/h7-10,18H,3-6,15H2,1-2H3,(H,16,19)(H,17,20)(H,21,22)(H,23,24)/t8-,9-,10-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp (UIA) Curated by ChEMBL					Assay Description Inhibitory constant of the compound was tested against glutathionylspermidine synthetase (GspS) in Crithidia fasciculata				Bioorg Med Chem Lett 12: 2703-5 (2002) BindingDB Entry DOI: 10.7270/Q2MS3S34
					More data for this Ligand-Target Pair
Glutathionylspermidine synthase (Crithidia fasciculata)	BDBM50118644 ((S)-2-Amino-4-[1-((S)-(S)-1-carboxy-2-hydroxy-ethy...) Show SMILES CC(C)C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)N[C@@H](CO)C(O)=O Show InChI InChI=1S/C14H25N3O7/c1-7(2)5-9(12(20)17-10(6-18)14(23)24)16-11(19)4-3-8(15)13(21)22/h7-10,18H,3-6,15H2,1-2H3,(H,16,19)(H,17,20)(H,21,22)(H,23,24)/t8-,9-,10-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp (UIA) Curated by ChEMBL					Assay Description Inhibitory constant of the compound was tested against glutathionylspermidine synthetase (GspS) in Crithidia fasciculata				Bioorg Med Chem Lett 12: 2703-5 (2002) BindingDB Entry DOI: 10.7270/Q2MS3S34
					More data for this Ligand-Target Pair
Glutathionylspermidine synthase (Crithidia fasciculata)	BDBM50118644 ((S)-2-Amino-4-[1-((S)-(S)-1-carboxy-2-hydroxy-ethy...) Show SMILES CC(C)C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)N[C@@H](CO)C(O)=O Show InChI InChI=1S/C14H25N3O7/c1-7(2)5-9(12(20)17-10(6-18)14(23)24)16-11(19)4-3-8(15)13(21)22/h7-10,18H,3-6,15H2,1-2H3,(H,16,19)(H,17,20)(H,21,22)(H,23,24)/t8-,9-,10-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.17E+4	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2MS3S34
					More data for this Ligand-Target Pair