BDBM50481016 CHEMBL568817

SMILES: CC(C)[C@H](NC(=O)CCS(=O)(=O)C(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CCS(=O)(=O)C(C)(C)C)C(C)C

InChI Key: InChIKey=RCQBXHQIQXTEOF-JJIMUVMESA-N

Data: 1 IC50

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 = 50481016   

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
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50481016 (CHEMBL568817) Show SMILES CC(C)[C@H](NC(=O)CCS(=O)(=O)C(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CCS(=O)(=O)C(C)(C)C)C(C)C |r| Show InChI InChI=1S/C42H66N4O10S2/c1-27(2)35(45-33(47)21-23-57(53,54)41(5,6)7)39(51)43-31(25-29-17-13-11-14-18-29)37(49)38(50)32(26-30-19-15-12-16-20-30)44-40(52)36(28(3)4)46-34(48)22-24-58(55,56)42(8,9)10/h11-20,27-28,31-32,35-38,49-50H,21-26H2,1-10H3,(H,43,51)(H,44,52)(H,45,47)(H,46,48)/t31-,32-,35-,36-,37+,38+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Lavras Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli K12 assessed as inhibition of enzyme activity				Eur J Med Chem 44: 4344-52 (2009) Article DOI: 10.1016/j.ejmech.2009.05.016 BindingDB Entry DOI: 10.7270/Q2JH3Q0K
					More data for this Ligand-Target Pair