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BDBM2186 (3-(2-tert-Butyl-5-methyl-phenylsulfanyl)-4-hydroxy-6-[2-(4-hydroxy-phenyl)-ethyl]-6-methyl-5,6-dihydro-pyran-2-one::3-{[2-tert-butyl-4-(2-hydroxyethoxy)-5-methylphenyl]sulfanyl}-4-hydroxy-6-[2-(4-hydroxyphenyl)ethyl]-6-methyl-5,6-dihydro-2H-pyran-2-one::PD 178390 Analog 25

SMILES: Cc1cc(SC2C(=O)CC(C)(CCc3ccc(O)cc3)OC2=O)c(cc1OCCO)C(C)(C)C

InChI Key: InChIKey=BSEVHOSLNKPIQM-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 = 2186   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
HIV-1 Protease


(Human immunodeficiency virus type 1)		BDBM2186
PNG
((3-(2-tert-Butyl-5-methyl-phenylsulfanyl)-4-hydrox...)
Show SMILES Cc1cc(SC2C(=O)CC(C)(CCc3ccc(O)cc3)OC2=O)c(cc1OCCO)C(C)(C)C
Show InChI InChI=1S/C27H34O6S/c1-17-14-23(20(26(2,3)4)15-22(17)32-13-12-28)34-24-21(30)16-27(5,33-25(24)31)11-10-18-6-8-19(29)9-7-18/h6-9,14-15,24,28-29H,10-13,16H2,1-5H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 6.80n/an/an/an/an/an/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