BDBM50287644 1-[(S)-2-(2-Cyclohexylamino-acetylamino)-3-methyl-butyryl]-piperidine-2-carboxylic acid {(S)-1-[(S)-2-((1S,2R)-2-hydroxy-1-propylcarbamoyl-propylcarbamoyl)-pyrrolidine-1-carbonyl]-3-methylsulfanyl-propyl}-amide::CHEMBL2373035

SMILES: CCCNC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCSC)NC(=O)[C@@H]1CCCCN1C(=O)[C@@H](NC(=O)CNC1CCCCC1)C(C)C)[C@@H](C)O

InChI Key: InChIKey=LPYJYOFPDQHAAH-NZAUFOHTSA-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 = 50287644   

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))	BDBM50287644 (1-[(S)-2-(2-Cyclohexylamino-acetylamino)-3-methyl-...) Show SMILES CCCNC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCSC)NC(=O)[C@@H]1CCCCN1C(=O)[C@@H](NC(=O)CNC1CCCCC1)C(C)C)[C@@H](C)O Show InChI InChI=1S/C36H63N7O7S/c1-6-18-37-34(48)31(24(4)44)41-33(47)28-16-12-20-42(28)35(49)26(17-21-51-5)39-32(46)27-15-10-11-19-43(27)36(50)30(23(2)3)40-29(45)22-38-25-13-8-7-9-14-25/h23-28,30-31,38,44H,6-22H2,1-5H3,(H,37,48)(H,39,46)(H,40,45)(H,41,47)/t24-,26+,27+,28+,30+,31+/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