BDBM50409138 CHEMBL171229

SMILES: CCCC1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)c(OS(=O)(=O)Cn3ccnc3)cc2C(C)(C)C)C(=O)O1

InChI Key: InChIKey=LKHRPSZXEQJZBT-UHFFFAOYSA-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 = 50409138   

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
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM50409138 (CHEMBL171229) Show SMILES CCCC1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)c(OS(=O)(=O)Cn3ccnc3)cc2C(C)(C)C)C(=O)O1 Show InChI InChI=1S/C31H38N2O7S2/c1-6-12-31(13-11-22-7-9-23(34)10-8-22)18-25(35)28(29(36)39-31)41-27-16-21(2)26(17-24(27)30(3,4)5)40-42(37,38)20-33-15-14-32-19-33/h7-10,14-17,19,28,34H,6,11-13,18,20H2,1-5H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research					Assay Description Activity of potent nonpeptidic inhibitor against protease				J Med Chem 43: 843-58 (2000) Article DOI: 10.1021/jm990281p BindingDB Entry DOI: 10.7270/Q21N7Z9R
					More data for this Ligand-Target Pair