BDBM50409361 CHEMBL110989

SMILES: CC[C@H](C)[C@H](NC(=O)CN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](C(C)C)C(O)=O

InChI Key: InChIKey=BFRWQSGFUOULOH-BSMIXSBWSA-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 = 50409361   

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))	BDBM50409361 (CHEMBL110989) Show SMILES CC[C@H](C)[C@H](NC(=O)CN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](C(C)C)C(O)=O Show InChI InChI=1S/C42H77N9O11/c1-14-24(11)33(47-29(53)18-43)39(58)46-28(17-21(5)6)37(56)51-35(26(13)52)41(60)49-31(22(7)8)38(57)50-34(25(12)15-2)40(59)45-27(16-20(3)4)36(55)44-19-30(54)48-32(23(9)10)42(61)62/h20-28,31-35,52H,14-19,43H2,1-13H3,(H,44,55)(H,45,59)(H,46,58)(H,47,53)(H,48,54)(H,49,60)(H,50,57)(H,51,56)(H,61,62)/t24-,25-,26+,27-,28-,31-,32-,33-,34-,35-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.5	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