BDBM50217027 ((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)methyl cyclopentylcarbamate::CHEMBL267657

SMILES: CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)COc1ccc2ccccc2c1)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1COC(=O)NC1CCCC1

InChI Key: InChIKey=ACGWIQSKBNBWSK-BSAGQGNBSA-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 = 50217027   

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))	BDBM50217027 (((S)-1-((2S,3R)-2-(2-((S)-2-((S)-6-amino-2-(2-(nap...) Show SMILES CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)COc1ccc2ccccc2c1)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1COC(=O)NC1CCCC1 Show InChI InChI=1S/C40H59N7O9/c1-25(2)35(46-37(51)32(16-8-9-19-41)44-34(50)24-55-31-18-17-27-11-4-5-12-28(27)21-31)38(52)42-22-33(49)45-36(26(3)48)39(53)47-20-10-15-30(47)23-56-40(54)43-29-13-6-7-14-29/h4-5,11-12,17-18,21,25-26,29-30,32,35-36,48H,6-10,13-16,19-20,22-24,41H2,1-3H3,(H,42,52)(H,43,54)(H,44,50)(H,45,49)(H,46,51)/t26-,30+,32+,35+,36+/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	1.60E+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