BDBM50287633 3-({(S)-(S)-1-[2-((S)-3-Cyclohexyl-butyrylamino)-6-decanoylamino-hexanoyl]-piperidine-2-carbonyl}-amino)-4-[(S)-2-((R)-2-hydroxy-1-propylcarbamoyl-propylcarbamoyl)-pyrrolidin-1-yl]-4-oxo-butyric acid::CHEMBL61199

SMILES: CCCCCCCCCC(=O)NCCCC[C@H](NC(=O)C[C@@H](C)C1CCCCC1)C(=O)N1CCCCC1C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC

InChI Key: InChIKey=ITYVOWFKFFUPNJ-PMLMKODQSA-N

Data: 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 1 hit for monomerid = 50287633   

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
HLA class II histocompatibility antigen DRB3-1 (Homo sapiens (Human))	BDBM50287633 (3-({(S)-(S)-1-[2-((S)-3-Cyclohexyl-butyrylamino)-6...) Show SMILES CCCCCCCCCC(=O)NCCCC[C@H](NC(=O)C[C@@H](C)C1CCCCC1)C(=O)N1CCCCC1C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC Show InChI InChI=1S/C48H83N7O10/c1-5-7-8-9-10-11-15-26-40(57)49-28-18-16-23-36(51-41(58)31-33(3)35-21-13-12-14-22-35)47(64)54-29-19-17-24-38(54)44(61)52-37(32-42(59)60)48(65)55-30-20-25-39(55)45(62)53-43(34(4)56)46(63)50-27-6-2/h33-39,43,56H,5-32H2,1-4H3,(H,49,57)(H,50,63)(H,51,58)(H,52,61)(H,53,62)(H,59,60)/t33-,34-,36+,37+,38?,39+,43+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to compete for binding to Class II MHC using ELISA assay.				Bioorg Med Chem Lett 6: 1931-1936 (1996) Article DOI: 10.1016/0960-894X(96)00348-4 BindingDB Entry DOI: 10.7270/Q2JM2B31
					More data for this Ligand-Target Pair