BDBM50318714 (2S,15S,18S,21S,24S)-15-(acetamidomethyl)-2-benzyl-24-carbamoyl-18-cyclohexyl-21,25-dimethyl-4,7,10,13,16,19,22-heptaoxo-3,6,9,14,17,20,23-heptaazahexacos-11-en-1-oic acid::CHEMBL1086434

SMILES: CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CNC(C)=O)NC(=O)\C=C\C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(O)=O)C1CCCCC1)C(N)=O

InChI Key: InChIKey=VWDPXMPUFFUQLR-OMOXUGFUSA-N

Data: 2 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 2 hits for monomerid = 50318714   

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)	BDBM50318714 ((2S,15S,18S,21S,24S)-15-(acetamidomethyl)-2-benzyl...) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CNC(C)=O)NC(=O)\C=C\C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(O)=O)C1CCCCC1)C(N)=O |r| Show InChI InChI=1S/C38H55N9O11/c1-21(2)32(34(39)53)46-35(54)22(3)43-37(56)33(25-13-9-6-10-14-25)47-36(55)27(18-40-23(4)48)45-29(50)16-15-28(49)41-19-30(51)42-20-31(52)44-26(38(57)58)17-24-11-7-5-8-12-24/h5,7-8,11-12,15-16,21-22,25-27,32-33H,6,9-10,13-14,17-20H2,1-4H3,(H2,39,53)(H,40,48)(H,41,49)(H,42,51)(H,43,56)(H,44,52)(H,45,50)(H,46,54)(H,47,55)(H,57,58)/b16-15+/t22-,26-,27-,32-,33-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	300	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
Cathepsin B (Homo sapiens (Human))	BDBM50318714 ((2S,15S,18S,21S,24S)-15-(acetamidomethyl)-2-benzyl...) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CNC(C)=O)NC(=O)\C=C\C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(O)=O)C1CCCCC1)C(N)=O |r| Show InChI InChI=1S/C38H55N9O11/c1-21(2)32(34(39)53)46-35(54)22(3)43-37(56)33(25-13-9-6-10-14-25)47-36(55)27(18-40-23(4)48)45-29(50)16-15-28(49)41-19-30(51)42-20-31(52)44-26(38(57)58)17-24-11-7-5-8-12-24/h5,7-8,11-12,15-16,21-22,25-27,32-33H,6,9-10,13-14,17-20H2,1-4H3,(H2,39,53)(H,40,48)(H,41,49)(H,42,51)(H,43,56)(H,44,52)(H,45,50)(H,46,54)(H,47,55)(H,57,58)/b16-15+/t22-,26-,27-,32-,33-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.24E+4	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 human liver cathepsin B				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