BDBM50409343 ALMPLYACI

SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N)C(O)=O

InChI Key: InChIKey=HVUSPTXVKJVJLC-KFFSJVQZSA-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 = 50409343   

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 I histocompatibility antigen A-3 (Homo sapiens (Human))	BDBM50409343 (ALMPLYACI) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N)C(O)=O Show InChI InChI=1S/C46H75N9O11S2/c1-10-26(6)37(46(65)66)54-43(62)35(23-67)53-39(58)28(8)48-40(59)34(22-29-13-15-30(56)16-14-29)51-42(61)33(21-25(4)5)52-44(63)36-12-11-18-55(36)45(64)31(17-19-68-9)49-41(60)32(20-24(2)3)50-38(57)27(7)47/h13-16,24-28,31-37,56,67H,10-12,17-23,47H2,1-9H3,(H,48,59)(H,49,60)(H,50,57)(H,51,61)(H,52,63)(H,53,58)(H,54,62)(H,65,66)/t26-,27-,28-,31-,32-,33-,34-,35-,36-,37-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Edward Jenner Institute for Vaccine Research Curated by ChEMBL					Assay Description MHC class I HLA-A*0201 binding affinity assayed by based inhibition of binding of a radiolabeled standard peptide (FLPSDYFPSV)				J Med Chem 44: 3572-81 (2001) BindingDB Entry DOI: 10.7270/Q23B61B5
					More data for this Ligand-Target Pair