BDBM50183779 (2S,3S)-1-((S)-2-((S)-2-(tert-butoxycarbonyl)-3-phenylpropanamido)propanoyl)aziridine-2,3-dicarboxylic acid::CHEMBL379649

SMILES: C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N1[C@@H]([C@H]1C(O)=O)C(O)=O

InChI Key: InChIKey=UDSQNOJFAXMKIA-MXAVVETBSA-N

Data: 1 KI

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 1 hit for monomerid = 50183779   

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
Rhodesain (Trypanosoma brucei rhodesiense)	BDBM50183779 ((2S,3S)-1-((S)-2-((S)-2-(tert-butoxycarbonyl)-3-ph...) Show SMILES C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N1[C@@H]([C@H]1C(O)=O)C(O)=O Show InChI InChI=1S/C21H27N3O8/c1-11(17(26)24-14(18(27)28)15(24)19(29)30)22-16(25)13(10-12-8-6-5-7-9-12)23-20(31)32-21(2,3)4/h5-9,11,13-15H,10H2,1-4H3,(H,22,25)(H,23,31)(H,27,28)(H,29,30)/t11-,13-,14-,15-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wuerzburg Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain				Bioorg Med Chem Lett 16: 2753-7 (2006) Article DOI: 10.1016/j.bmcl.2006.02.026 BindingDB Entry DOI: 10.7270/Q2PK0FRX
					More data for this Ligand-Target Pair