BDBM50217026 CHEMBL230798::tert-Butyl-carbamic acid (S)-1-{(2S,3S)-2-[2-((S)-2-{(S)-6-amino-2-[2-(naphthalen-2-yloxy)-acetylamino]-hexanoylamino}-3-methyl-butyrylamino)-acetylamino]-3-hydroxy-butyryl}-pyrrolidin-2-ylmethyl 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)N1CCC[C@H]1COC(=O)NC(C)(C)C

InChI Key: InChIKey=ZALLORWCILBTOM-MUQLUMEMSA-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 = 50217026   

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))	BDBM50217026 (CHEMBL230798 | tert-Butyl-carbamic acid (S)-1-{(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)N1CCC[C@H]1COC(=O)NC(C)(C)C Show InChI InChI=1S/C39H59N7O9/c1-24(2)33(44-35(50)30(15-9-10-18-40)42-32(49)23-54-29-17-16-26-12-7-8-13-27(26)20-29)36(51)41-21-31(48)43-34(25(3)47)37(52)46-19-11-14-28(46)22-55-38(53)45-39(4,5)6/h7-8,12-13,16-17,20,24-25,28,30,33-34,47H,9-11,14-15,18-19,21-23,40H2,1-6H3,(H,41,51)(H,42,49)(H,43,48)(H,44,50)(H,45,53)/t25-,28-,30-,33-,34-/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	6.00E+3	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