BDBM2514 3-{[2-tert-butyl-4-(2-hydroxyethoxy)-5-methylphenyl]sulfanyl}-4-hydroxy-6-phenyl-6-(2-phenylethyl)-5,6-dihydro-2H-pyran-2-one::6-Phenyl-6-phenethyldihydropyrone 13c::PD 178390 Analog 41

SMILES: Cc1cc(SC2C(=O)CC(CCc3ccccc3)(OC2=O)c2ccccc2)c(cc1OCCO)C(C)(C)C

InChI Key: InChIKey=JMXSVPDBLJIFBU-UHFFFAOYSA-N

Data: 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 2 hits for monomerid = 2514   

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)	BDBM2514 (3-{[2-tert-butyl-4-(2-hydroxyethoxy)-5-methylpheny...) Show SMILES Cc1cc(SC2C(=O)CC(CCc3ccccc3)(OC2=O)c2ccccc2)c(cc1OCCO)C(C)(C)C Show InChI InChI=1S/C32H36O5S/c1-22-19-28(25(31(2,3)4)20-27(22)36-18-17-33)38-29-26(34)21-32(37-30(29)35,24-13-9-6-10-14-24)16-15-23-11-7-5-8-12-23/h5-14,19-20,29,33H,15-18,21H2,1-4H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.80	n/a	n/a	n/a	n/a	6.2	37
Parke-Davis Pharmaceutical Research					Assay Description For determination of IC50 values, HIV-1 protease was added to assay buffer containing inhibitor and the substrate (H-His-Lys-Ala-Arg-Val-Leu- (p-NO2)...				J Med Chem 40: 3707-11 (1997) Article DOI: 10.1021/jm970522y BindingDB Entry DOI: 10.7270/Q2ZC812F
					More data for this Ligand-Target Pair
HIV-1 Protease (Human immunodeficiency virus type 1)	BDBM2514 (3-{[2-tert-butyl-4-(2-hydroxyethoxy)-5-methylpheny...) Show SMILES Cc1cc(SC2C(=O)CC(CCc3ccccc3)(OC2=O)c2ccccc2)c(cc1OCCO)C(C)(C)C Show InChI InChI=1S/C32H36O5S/c1-22-19-28(25(31(2,3)4)20-27(22)36-18-17-33)38-29-26(34)21-32(37-30(29)35,24-13-9-6-10-14-24)16-15-23-11-7-5-8-12-23/h5-14,19-20,29,33H,15-18,21H2,1-4H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research					Assay Description For determination of IC50 values, HIV-1 protease was added to assay buffer containing inhibitor and the substrate (H-His-Lys-Ala-Arg-Val-Leu- (p-NO2)...				Bioorg Med Chem 7: 2775-800 (1999) Article DOI: 10.1016/s0968-0896(99)00215-1 BindingDB Entry DOI: 10.7270/Q21C1V2B
					More data for this Ligand-Target Pair