BDBM50318709 (2S,15S,18S,21S,24S)-15-(2-amino-2-oxoethyl)-2-benzyl-24-carbamoyl-18,21-diisobutyl-25-methyl-4,7,10,13,16,19,22-heptaoxo-3,6,9,14,17,20,23-heptaazahexacos-11-en-1-oic acid::CHEMBL1086193

SMILES: CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)\C=C\C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(N)=O

InChI Key: InChIKey=XQSLQXPZRBGBRB-VGMIXRAQSA-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 = 50318709   

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)	BDBM50318709 ((2S,15S,18S,21S,24S)-15-(2-amino-2-oxoethyl)-2-ben...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)\C=C\C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(N)=O |r| Show InChI InChI=1S/C38H57N9O11/c1-20(2)14-24(35(54)46-25(15-21(3)4)37(56)47-33(22(5)6)34(40)53)45-36(55)26(17-28(39)48)43-30(50)13-12-29(49)41-18-31(51)42-19-32(52)44-27(38(57)58)16-23-10-8-7-9-11-23/h7-13,20-22,24-27,33H,14-19H2,1-6H3,(H2,39,48)(H2,40,53)(H,41,49)(H,42,51)(H,43,50)(H,44,52)(H,45,55)(H,46,54)(H,47,56)(H,57,58)/b13-12+/t24-,25-,26-,27-,33-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Duisburg-Essen Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense recombinant rhodesain				J Med Chem 52: 5662-72 (2009) Article DOI: 10.1021/jm900629w BindingDB Entry DOI: 10.7270/Q298876S
					More data for this Ligand-Target Pair