BDBM50481019 CHEMBL571731

SMILES: CC(C)[C@H](NC(=O)[C@H](Cc1cccc2ccccc12)CS(=O)(=O)C(C)(C)C)C(=O)NC[C@@H](O)[C@H](O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1cccc2ccccc12)CS(=O)(=O)C(C)(C)C)C(C)C

InChI Key: InChIKey=OSYIVHYBECOWBN-OZFUNFNPSA-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 = 50481019   

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))	BDBM50481019 (CHEMBL571731) Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1cccc2ccccc12)CS(=O)(=O)C(C)(C)C)C(=O)NC[C@@H](O)[C@H](O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1cccc2ccccc12)CS(=O)(=O)C(C)(C)C)C(C)C |r| Show InChI InChI=1S/C50H70N4O10S2/c1-31(2)43(53-45(57)37(29-65(61,62)49(5,6)7)25-35-21-15-19-33-17-11-13-23-39(33)35)47(59)51-27-41(55)42(56)28-52-48(60)44(32(3)4)54-46(58)38(30-66(63,64)50(8,9)10)26-36-22-16-20-34-18-12-14-24-40(34)36/h11-24,31-32,37-38,41-44,55-56H,25-30H2,1-10H3,(H,51,59)(H,52,60)(H,53,57)(H,54,58)/t37-,38-,41-,42-,43+,44+/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20	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