BDBM423 CHEMBL263028::Dihydropyran-2-one deriv. 28::N-(5-tert-butyl-4-{[4-hydroxy-2-oxo-6-(2-phenylethyl)-6-(propan-2-yl)-5,6-dihydro-2H-pyran-3-yl]sulfanyl}-2-methylphenyl)-3-cyanobenzene-1-sulfonamide

SMILES: CC(C)C1(CCc2ccccc2)CC(=O)C(Sc2cc(C)c(NS(=O)(=O)c3cccc(c3)C#N)cc2C(C)(C)C)C(=O)O1

InChI Key: InChIKey=UIXCYALOKLEACH-UHFFFAOYSA-N

Data: 2 KI

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 2 hits for monomerid = 423   

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)	BDBM423 (CHEMBL263028 | Dihydropyran-2-one deriv. 28 | N-(5...) Show SMILES CC(C)C1(CCc2ccccc2)CC(=O)C(Sc2cc(C)c(NS(=O)(=O)c3cccc(c3)C#N)cc2C(C)(C)C)C(=O)O1 Show InChI InChI=1S/C34H38N2O5S2/c1-22(2)34(16-15-24-11-8-7-9-12-24)20-29(37)31(32(38)41-34)42-30-17-23(3)28(19-27(30)33(4,5)6)36-43(39,40)26-14-10-13-25(18-26)21-35/h7-14,17-19,22,31,36H,15-16,20H2,1-6H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research					Assay Description Tested for binding affinity against HIV 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
HIV-1 Protease (Human immunodeficiency virus type 1)	BDBM423 (CHEMBL263028 | Dihydropyran-2-one deriv. 28 | N-(5...) Show SMILES CC(C)C1(CCc2ccccc2)CC(=O)C(Sc2cc(C)c(NS(=O)(=O)c3cccc(c3)C#N)cc2C(C)(C)C)C(=O)O1 Show InChI InChI=1S/C34H38N2O5S2/c1-22(2)34(16-15-24-11-8-7-9-12-24)20-29(37)31(32(38)41-34)42-30-17-23(3)28(19-27(30)33(4,5)6)36-43(39,40)26-14-10-13-25(18-26)21-35/h7-14,17-19,22,31,36H,15-16,20H2,1-6H3	PDB GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	-12.6	n/a	n/a	n/a	n/a	n/a	6.2	37
Parke-Davis Pharmaceutical Research					Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed o...				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