BDBM50287626 (S)-2-((2S,3R)-2-{(S)-2-[(S)-2-((S)-2-{(S)-2-[(S)-2-Acetylamino-3-(4-hydroxy-phenyl)-propionylamino]-5-guanidino-pentanoylamino}-propionylamino)-4-methylsulfanyl-butyrylamino]-propionylamino}-3-hydroxy-butyrylamino)-4-methyl-pentanoic acid amide::CHEMBL291311

SMILES: CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(N)=O

InChI Key: InChIKey=STCNWHUDUYCQCI-BGBLQRQTSA-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 = 50287626   

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))	BDBM50287626 ((S)-2-((2S,3R)-2-{(S)-2-[(S)-2-((S)-2-{(S)-2-[(S)-...) Show SMILES CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(N)=O Show InChI InChI=1S/C38H63N11O10S/c1-19(2)17-28(31(39)53)48-37(59)30(22(5)50)49-33(55)21(4)44-35(57)27(14-16-60-7)46-32(54)20(3)43-34(56)26(9-8-15-42-38(40)41)47-36(58)29(45-23(6)51)18-24-10-12-25(52)13-11-24/h10-13,19-22,26-30,50,52H,8-9,14-18H2,1-7H3,(H2,39,53)(H,43,56)(H,44,57)(H,45,51)(H,46,54)(H,47,58)(H,48,59)(H,49,55)(H4,40,41,42)/t20-,21-,22+,26-,27-,28-,29-,30-/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	180	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