BDBM50217021 CHEMBL388209::tert-butyl-carbamic acid (S)-2-{(2S,3S)-2-[2-((S)-2-{(S)-6-amino-2-[2-(naphthalen-2-yloxy)-acetylamino]-hexanoylamino}-3-methyl-butyrylamino)-acetylamino]-3-hydroxy-butyrylamino}-propyl ester

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)N[C@@H](C)COC(=O)NC(C)(C)C

InChI Key: InChIKey=SXYCGTBMJRWSSZ-ZUJIFFQZSA-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 = 50217021   

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))	BDBM50217021 (CHEMBL388209 | tert-butyl-carbamic acid (S)-2-{(2S...) 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)N[C@@H](C)COC(=O)NC(C)(C)C Show InChI InChI=1S/C37H57N7O9/c1-22(2)31(34(49)39-19-29(46)42-32(24(4)45)35(50)40-23(3)20-53-36(51)44-37(5,6)7)43-33(48)28(14-10-11-17-38)41-30(47)21-52-27-16-15-25-12-8-9-13-26(25)18-27/h8-9,12-13,15-16,18,22-24,28,31-32,45H,10-11,14,17,19-21,38H2,1-7H3,(H,39,49)(H,40,50)(H,41,47)(H,42,46)(H,43,48)(H,44,51)/t23-,24+,28-,31-,32-/m0/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	2.00E+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