BDBM50287629 (S)-4-[(S)-2-((S)-2-Amino-1-propylcarbamoyl-ethylcarbamoyl)-pyrrolidin-1-yl]-3-({1-[(S)-2-((R)-3-cyclohexyl-butyrylamino)-3-methyl-butyryl]-piperidine-2-carbonyl}-amino)-4-oxo-butyric acid::CHEMBL2373019

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

InChI Key: InChIKey=JYGQMBYCHDIONZ-WFXSOMABSA-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 = 50287629   

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))	BDBM50287629 ((S)-4-[(S)-2-((S)-2-Amino-1-propylcarbamoyl-ethylc...) Show SMILES CCCNC(=O)[C@H](CN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCCN1C(=O)[C@@H](NC(=O)C[C@H](C)C1CCCCC1)C(C)C Show InChI InChI=1S/C36H61N7O8/c1-5-16-38-32(47)26(21-37)40-34(49)28-15-11-18-42(28)35(50)25(20-30(45)46)39-33(48)27-14-9-10-17-43(27)36(51)31(22(2)3)41-29(44)19-23(4)24-12-7-6-8-13-24/h22-28,31H,5-21,37H2,1-4H3,(H,38,47)(H,39,48)(H,40,49)(H,41,44)(H,45,46)/t23-,25-,26-,27-,28-,31-/m0/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