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BDBM2193 (3-(2-tert-Butyl-4-(2-hydroxy-ethoxy)-5-methyl-phenylsulfanyl)-4-hydroxy-6-[2-(4-hydroxy-phenyl)-ethyl]-6-cyclopentyl-5,6-dihydro-pyran-2-one::3-{[2-tert-butyl-4-(2-hydroxyethoxy)-5-methylphenyl]sulfanyl}-6-cyclopentyl-4-hydroxy-6-[2-(4-hydroxyphenyl)ethyl]-5,6-dihydro-2H-pyran-2-one::PD 178390 Analog 32

SMILES: Cc1cc(SC2C(=O)CC(CCc3ccc(O)cc3)(OC2=O)C2CCCC2)c(cc1OCCO)C(C)(C)C

InChI Key: InChIKey=OMONSPFCDOYKGG-UHFFFAOYSA-N

Data: 1 IC50

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

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 2193   
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)		BDBM2193
PNG
((3-(2-tert-Butyl-4-(2-hydroxy-ethoxy)-5-methyl-phe...)
Show SMILES Cc1cc(SC2C(=O)CC(CCc3ccc(O)cc3)(OC2=O)C2CCCC2)c(cc1OCCO)C(C)(C)C
Show InChI InChI=1S/C31H40O6S/c1-20-17-27(24(30(2,3)4)18-26(20)36-16-15-32)38-28-25(34)19-31(37-29(28)35,22-7-5-6-8-22)14-13-21-9-11-23(33)12-10-21/h9-12,17-18,22,28,32-33H,5-8,13-16,19H2,1-4H3
PDB
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UniProtKB/TrEMBL

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.80n/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