BDBM50287631 3-({1-[(S)-2-((R)-3-Cyclohexyl-butyrylamino)-3-methyl-butyryl]-piperidine-2-carbonyl}-amino)-propionic acid::CHEMBL58489

SMILES: CC(C)[C@H](NC(=O)C[C@@H](C)C1CCCCC1)C(=O)N1CCCCC1C(=O)NCCC(O)=O

InChI Key: InChIKey=RBKYBVSQLBDNGD-KKGGMLHBSA-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 = 50287631   

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))	BDBM50287631 (3-({1-[(S)-2-((R)-3-Cyclohexyl-butyrylamino)-3-met...) Show SMILES CC(C)[C@H](NC(=O)C[C@@H](C)C1CCCCC1)C(=O)N1CCCCC1C(=O)NCCC(O)=O Show InChI InChI=1S/C24H41N3O5/c1-16(2)22(26-20(28)15-17(3)18-9-5-4-6-10-18)24(32)27-14-8-7-11-19(27)23(31)25-13-12-21(29)30/h16-19,22H,4-15H2,1-3H3,(H,25,31)(H,26,28)(H,29,30)/t17-,19?,22+/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+5	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