BDBM50217028 CHEMBL388208::ethyl 2-((((S)-1-((2S,3R)-2-(2-((S)-2-((S)-6-amino-2-(2-(naphthalen-2-yloxy)acetamido)hexanamido)-3-methylbutanamido)acetamido)-3-hydroxybutanoyl)pyrrolidin-2-yl)methoxy)carbonyl)acetate

SMILES: CCOC(=O)CNC(=O)OC[C@@H]1CCCN1C(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)COc1ccc2ccccc2c1)C(C)C)[C@@H](C)O

InChI Key: InChIKey=YDKMMAHTBIFHHI-KRTSLMBKSA-N

Data: 1 Kd

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 = 50217028   

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
T-cell surface antigen CD4 (Homo sapiens (Human))	BDBM50217028 (CHEMBL388208 | ethyl 2-((((S)-1-((2S,3R)-2-(2-((S)...) Show SMILES CCOC(=O)CNC(=O)OC[C@@H]1CCCN1C(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)COc1ccc2ccccc2c1)C(C)C)[C@@H](C)O Show InChI InChI=1S/C39H57N7O11/c1-5-55-33(50)21-42-39(54)57-22-28-13-10-18-46(28)38(53)35(25(4)47)44-31(48)20-41-37(52)34(24(2)3)45-36(51)30(14-8-9-17-40)43-32(49)23-56-29-16-15-26-11-6-7-12-27(26)19-29/h6-7,11-12,15-16,19,24-25,28,30,34-35,47H,5,8-10,13-14,17-18,20-23,40H2,1-4H3,(H,41,52)(H,42,54)(H,43,49)(H,44,48)(H,45,51)/t25-,28+,30+,34+,35+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a	n/a
University of Hamburg Curated by ChEMBL					Assay Description Binding affinity to CD4 by SPR assay				J Med Chem 50: 3482-8 (2007) Article DOI: 10.1021/jm070206b BindingDB Entry DOI: 10.7270/Q2Q2412N
					More data for this Ligand-Target Pair