BDBM50287639 (S)-3-({1-[(S)-6-Amino-2-(4-cyclohexyl-heptanoylamino)-hexanoyl]-piperidine-2-carbonyl}-amino)-4-[(S)-2-((1S,2R)-2-hydroxy-1-propylcarbamoyl-propylcarbamoyl)-pyrrolidin-1-yl]-4-oxo-butyric acid::CHEMBL2373030

SMILES: CCCNC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCCN1C(=O)[C@H](CCCCN)NC(=O)CCC(CCC)C1CCCCC1)[C@@H](C)O

InChI Key: InChIKey=FKFMFLVPHCYIOV-BHUYHZCJSA-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 = 50287639   

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))	BDBM50287639 ((S)-3-({1-[(S)-6-Amino-2-(4-cyclohexyl-heptanoylam...) Show SMILES CCCNC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCCN1C(=O)[C@H](CCCCN)NC(=O)CCC(CCC)C1CCCCC1)[C@@H](C)O Show InChI InChI=1S/C41H71N7O9/c1-4-14-28(29-15-7-6-8-16-29)20-21-34(50)44-30(17-9-11-22-42)40(56)47-24-12-10-18-32(47)37(53)45-31(26-35(51)52)41(57)48-25-13-19-33(48)38(54)46-36(27(3)49)39(55)43-23-5-2/h27-33,36,49H,4-26,42H2,1-3H3,(H,43,55)(H,44,50)(H,45,53)(H,46,54)(H,51,52)/t27-,28?,30+,31+,32+,33+,36+/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