BDBM50409325 CHEMBL437069

SMILES: CC(C)C[C@H](NC(=O)CN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(O)=O

InChI Key: InChIKey=KHEAOXMYFAQTDU-JTZFLWRISA-N

Data: 2 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 2 hits for monomerid = 50409325   

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))	BDBM50409325 (CHEMBL437069) Show SMILES CC(C)C[C@H](NC(=O)CN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(O)=O Show InChI InChI=1S/C42H67N9O14/c1-20(2)15-26(44-31(56)17-43)35(57)45-27(16-24-10-12-25(55)13-11-24)36(58)46-28(18-52)37(59)47-29(19-53)38(60)50-34(23(7)54)40(62)48-32(21(3)4)41(63)51-14-8-9-30(51)39(61)49-33(22(5)6)42(64)65/h10-13,20-23,26-30,32-34,52-55H,8-9,14-19,43H2,1-7H3,(H,44,56)(H,45,57)(H,46,58)(H,47,59)(H,48,62)(H,49,61)(H,50,60)(H,64,65)/t23-,26+,27+,28+,29+,30+,32+,33+,34+/m1/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	20	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
HLA class I histocompatibility antigen A-3 (Homo sapiens (Human))	BDBM50409325 (CHEMBL437069) Show SMILES CC(C)C[C@H](NC(=O)CN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(O)=O Show InChI InChI=1S/C42H67N9O14/c1-20(2)15-26(44-31(56)17-43)35(57)45-27(16-24-10-12-25(55)13-11-24)36(58)46-28(18-52)37(59)47-29(19-53)38(60)50-34(23(7)54)40(62)48-32(21(3)4)41(63)51-14-8-9-30(51)39(61)49-33(22(5)6)42(64)65/h10-13,20-23,26-30,32-34,52-55H,8-9,14-19,43H2,1-7H3,(H,44,56)(H,45,57)(H,46,58)(H,47,59)(H,48,62)(H,49,61)(H,50,60)(H,64,65)/t23-,26+,27+,28+,29+,30+,32+,33+,34+/m1/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	33.0	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