BDBM50217023 (S)-2-((2S,3R)-2-(2-((S)-2-((S)-6-amino-2-(2-(quinolin-8-yloxy)acetamido)hexanamido)-3-methylbutanamido)acetamido)-3-hydroxybutanamido)propyl tert-butylcarbamate::CHEMBL230799

SMILES: CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)COc1cccc2cccnc12)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=IHXWXMBFUSWEPW-YUKMGLFXSA-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 = 50217023   

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))	BDBM50217023 ((S)-2-((2S,3R)-2-(2-((S)-2-((S)-6-amino-2-(2-(quin...) Show SMILES CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)COc1cccc2cccnc12)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/C36H56N8O9/c1-21(2)29(33(49)39-18-27(46)42-30(23(4)45)34(50)40-22(3)19-53-35(51)44-36(5,6)7)43-32(48)25(14-8-9-16-37)41-28(47)20-52-26-15-10-12-24-13-11-17-38-31(24)26/h10-13,15,17,21-23,25,29-30,45H,8-9,14,16,18-20,37H2,1-7H3,(H,39,49)(H,40,50)(H,41,47)(H,42,46)(H,43,48)(H,44,51)/t22-,23+,25-,29-,30-/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	1.30E+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