BDBM50185648 (S)-4-((S)-1-carboxy-2-(4-hydroxyphenyl)ethylamino)-3-((S)-2-((2S,3R)-3-hydroxy-2-((2S,3S)-2-((2S,3R)-3-hydroxy-2-octanamidobutanamido)-3-methylpentanamido)butanamido)-3-phenylpropanamido)-4-oxobutanoic acid::CHEMBL379309

SMILES: CCCCCCCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O

InChI Key: InChIKey=RCIPJKSHSPBVLT-YSGKMPHKSA-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 = 50185648   

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
Proteasome Macropain subunit PRE2 (Saccharomyces cerevisiae)	BDBM50185648 ((S)-4-((S)-1-carboxy-2-(4-hydroxyphenyl)ethylamino...) Show SMILES CCCCCCCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C44H64N6O13/c1-6-8-9-10-14-17-34(54)48-37(26(4)51)43(61)49-36(25(3)7-2)41(59)50-38(27(5)52)42(60)46-31(22-28-15-12-11-13-16-28)39(57)45-32(24-35(55)56)40(58)47-33(44(62)63)23-29-18-20-30(53)21-19-29/h11-13,15-16,18-21,25-27,31-33,36-38,51-53H,6-10,14,17,22-24H2,1-5H3,(H,45,57)(H,46,60)(H,47,58)(H,48,54)(H,49,61)(H,50,59)(H,55,56)(H,62,63)/t25-,26+,27+,31-,32-,33-,36-,37-,38-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	4.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS-Université Paris VI Curated by ChEMBL					Assay Description Inhibition of chymotrypsin like activity of yeast 20S proteasome				Bioorg Med Chem Lett 16: 3277-81 (2006) Article DOI: 10.1016/j.bmcl.2006.03.033 BindingDB Entry DOI: 10.7270/Q280527Z
					More data for this Ligand-Target Pair
Proteasome component C5 (Saccharomyces cerevisiae)	BDBM50185648 ((S)-4-((S)-1-carboxy-2-(4-hydroxyphenyl)ethylamino...) Show SMILES CCCCCCCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C44H64N6O13/c1-6-8-9-10-14-17-34(54)48-37(26(4)51)43(61)49-36(25(3)7-2)41(59)50-38(27(5)52)42(60)46-31(22-28-15-12-11-13-16-28)39(57)45-32(24-35(55)56)40(58)47-33(44(62)63)23-29-18-20-30(53)21-19-29/h11-13,15-16,18-21,25-27,31-33,36-38,51-53H,6-10,14,17,22-24H2,1-5H3,(H,45,57)(H,46,60)(H,47,58)(H,48,54)(H,49,61)(H,50,59)(H,55,56)(H,62,63)/t25-,26+,27+,31-,32-,33-,36-,37-,38-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	>8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS-Université Paris VI Curated by ChEMBL					Assay Description Inhibition of post acid activity of yeast 20S proteasome				Bioorg Med Chem Lett 16: 3277-81 (2006) Article DOI: 10.1016/j.bmcl.2006.03.033 BindingDB Entry DOI: 10.7270/Q280527Z
					More data for this Ligand-Target Pair