BDBM50366443 CHEMBL1790407

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

InChI Key: InChIKey=ZNJNEKDJHGHGIK-CYUVWCOYSA-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 = 50366443   

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))	BDBM50366443 (CHEMBL1790407) Show SMILES CCCNC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)N(C)C(=O)[C@H](CCCCN)NC(=O)C[C@H](C)C1CCCCC1)[C@@H](C)O Show InChI InChI=1S/C36H63N7O9/c1-6-18-38-34(50)31(24(4)44)41-33(49)28-16-12-19-43(28)36(52)27(21-30(46)47)40-32(48)23(3)42(5)35(51)26(15-10-11-17-37)39-29(45)20-22(2)25-13-8-7-9-14-25/h22-28,31,44H,6-21,37H2,1-5H3,(H,38,50)(H,39,45)(H,40,48)(H,41,49)(H,46,47)/t22-,23-,24+,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	1.80E+3	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