BDBM50217025 ((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 cyclohexylcarbamate::CHEMBL230796

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)NC1CCCCC1

InChI Key: InChIKey=MFTPPHGVFJWMSL-HXAQDDAUSA-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 = 50217025   

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))	BDBM50217025 (((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)NC1CCCCC1 Show InChI InChI=1S/C41H61N7O9/c1-26(2)36(47-38(52)33(17-9-10-20-42)45-35(51)25-56-32-19-18-28-12-7-8-13-29(28)22-32)39(53)43-23-34(50)46-37(27(3)49)40(54)48-21-11-16-31(48)24-57-41(55)44-30-14-5-4-6-15-30/h7-8,12-13,18-19,22,26-27,30-31,33,36-37,49H,4-6,9-11,14-17,20-21,23-25,42H2,1-3H3,(H,43,53)(H,44,55)(H,45,51)(H,46,50)(H,47,52)/t27-,31+,33+,36+,37+/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	3.50E+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