BDBM2190 (3-(2-tert-Butyl-4-(2-hydroxy-ethoxy)-5-methyl-phenylsulfanyl)-4-hydroxy-6-[2-(4-hydroxy-phenyl)-ethyl]-6-pentyl-5,6-dihydro-pyran-2-one::3-{[2-tert-butyl-4-(2-hydroxyethoxy)-5-methylphenyl]sulfanyl}-4-hydroxy-6-[2-(4-hydroxyphenyl)ethyl]-6-pentyl-5,6-dihydro-2H-pyran-2-one::PD 178390 Analog 29

SMILES: CCCCCC1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)c(OCCO)cc2C(C)(C)C)C(=O)O1

InChI Key: InChIKey=ATCMWKZVYSEIBM-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

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 = 2190   

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)	BDBM2190 ((3-(2-tert-Butyl-4-(2-hydroxy-ethoxy)-5-methyl-phe...) Show SMILES CCCCCC1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)c(OCCO)cc2C(C)(C)C)C(=O)O1 Show InChI InChI=1S/C31H42O6S/c1-6-7-8-14-31(15-13-22-9-11-23(33)12-10-22)20-25(34)28(29(35)37-31)38-27-18-21(2)26(36-17-16-32)19-24(27)30(3,4)5/h9-12,18-19,28,32-33H,6-8,13-17,20H2,1-5H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90	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