BDBM50409388 CHEMBL415514

SMILES: CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCCCN)C(O)=O

InChI Key: InChIKey=UHSIENXHQNQGMS-CNYWMRGKSA-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 = 50409388   

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))	BDBM50409388 (CHEMBL415514) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCCCN)C(O)=O Show InChI InChI=1S/C53H82N14O12/c1-7-31(6)44(53(78)79)66-51(76)43-12-10-18-67(43)52(77)41(23-34-25-57-28-59-34)64-50(75)42(26-68)65-48(73)39(21-32-13-15-35(69)16-14-32)62-47(72)38(20-30(4)5)61-49(74)40(22-33-24-56-27-58-33)63-46(71)37(19-29(2)3)60-45(70)36(55)11-8-9-17-54/h13-16,24-25,27-31,36-44,68-69H,7-12,17-23,26,54-55H2,1-6H3,(H,56,58)(H,57,59)(H,60,70)(H,61,74)(H,62,72)(H,63,71)(H,64,75)(H,65,73)(H,66,76)(H,78,79)/t31-,36-,37-,38-,39-,40-,41-,42-,43-,44-/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	29.4	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