BDBM403 CHEMBL169391::Dihydropyran-2-one deriv. 8::N-[5-tert-butyl-4-({4-hydroxy-6-[2-(4-hydroxyphenyl)ethyl]-2-oxo-6-(propan-2-yl)-5,6-dihydro-2H-pyran-3-yl}sulfanyl)-2-methylphenyl]-4-cyanobenzene-1-sulfonamide

SMILES: CC(C)C1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)c(NS(=O)(=O)c3ccc(cc3)C#N)cc2C(C)(C)C)C(=O)O1

InChI Key: InChIKey=MPBRLEOTRZKRTK-UHFFFAOYSA-N

Data: 2 KI  2 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 3 hits for monomerid = 403   

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
HIV-1 Protease (Human immunodeficiency virus type 1)	BDBM403 (CHEMBL169391 | Dihydropyran-2-one deriv. 8 | N-[5-...) Show SMILES CC(C)C1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)c(NS(=O)(=O)c3ccc(cc3)C#N)cc2C(C)(C)C)C(=O)O1 Show InChI InChI=1S/C34H38N2O6S2/c1-21(2)34(16-15-23-7-11-25(37)12-8-23)19-29(38)31(32(39)42-34)43-30-17-22(3)28(18-27(30)33(4,5)6)36-44(40,41)26-13-9-24(20-35)10-14-26/h7-14,17-18,21,31,36-37H,15-16,19H2,1-6H3	PDB GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.410	-13.3	2.20	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
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM403 (CHEMBL169391 | Dihydropyran-2-one deriv. 8 | N-[5-...) Show SMILES CC(C)C1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)c(NS(=O)(=O)c3ccc(cc3)C#N)cc2C(C)(C)C)C(=O)O1 Show InChI InChI=1S/C34H38N2O6S2/c1-21(2)34(16-15-23-7-11-25(37)12-8-23)19-29(38)31(32(39)42-34)43-30-17-22(3)28(18-27(30)33(4,5)6)36-44(40,41)26-13-9-24(20-35)10-14-26/h7-14,17-18,21,31,36-37H,15-16,19H2,1-6H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.410	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
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM403 (CHEMBL169391 | Dihydropyran-2-one deriv. 8 | N-[5-...) Show SMILES CC(C)C1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)c(NS(=O)(=O)c3ccc(cc3)C#N)cc2C(C)(C)C)C(=O)O1 Show InChI InChI=1S/C34H38N2O6S2/c1-21(2)34(16-15-23-7-11-25(37)12-8-23)19-29(38)31(32(39)42-34)43-30-17-22(3)28(18-27(30)33(4,5)6)36-44(40,41)26-13-9-24(20-35)10-14-26/h7-14,17-18,21,31,36-37H,15-16,19H2,1-6H3	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