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BDBM2196 6-[2-(4-Aminophenyl)-ethyl]-(3-(2-tert-butyl-4-hydroxy-methyl-5-methyl-phenylsulfanyl)-4-hydroxy-6-isobutyl-5,6-dihydro-pyran-2-one::6-[2-(4-aminophenyl)ethyl]-3-{[2-tert-butyl-4-(hydroxymethyl)-5-methylphenyl]sulfanyl}-4-hydroxy-6-(2-methylpropyl)-5,6-dihydro-2H-pyran-2-one::PD 178390 Analog 35

SMILES: CC(C)CC1(CCc2ccc(N)cc2)CC(=O)C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O1

InChI Key: InChIKey=TZRNUGZQSVMZOU-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
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 2196   
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)		BDBM2196
PNG
(6-[2-(4-Aminophenyl)-ethyl]-(3-(2-tert-butyl-4-hyd...)
Show SMILES CC(C)CC1(CCc2ccc(N)cc2)CC(=O)C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O1
Show InChI InChI=1S/C29H39NO4S/c1-18(2)15-29(12-11-20-7-9-22(30)10-8-20)16-24(32)26(27(33)34-29)35-25-13-19(3)21(17-31)14-23(25)28(4,5)6/h7-10,13-14,18,26,31H,11-12,15-17,30H2,1-6H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.90n/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