BDBM50217019 ((S)-1-((2S,3R)-2-(2-((S)-2-((S)-6-amino-2-(2-(quinolin-8-yloxy)acetamido)hexanamido)-3-methylbutanamido)acetamido)-3-hydroxybutanoyl)pyrrolidin-2-yl)methyl tert-butylcarbamate::CHEMBL267658

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)N1CCC[C@H]1COC(=O)NC(C)(C)C

InChI Key: InChIKey=DRWRWZQFDFIOFY-WUZWQBHTSA-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 = 50217019   

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))	BDBM50217019 (((S)-1-((2S,3R)-2-(2-((S)-2-((S)-6-amino-2-(2-(qui...) 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)N1CCC[C@H]1COC(=O)NC(C)(C)C Show InChI InChI=1S/C38H58N8O9/c1-23(2)31(44-34(50)27(15-7-8-17-39)42-30(49)22-54-28-16-9-12-25-13-10-18-40-33(25)28)35(51)41-20-29(48)43-32(24(3)47)36(52)46-19-11-14-26(46)21-55-37(53)45-38(4,5)6/h9-10,12-13,16,18,23-24,26-27,31-32,47H,7-8,11,14-15,17,19-22,39H2,1-6H3,(H,41,51)(H,42,49)(H,43,48)(H,44,50)(H,45,53)/t24-,26+,27+,31+,32+/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	2.60E+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