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Found 1 hit Enz. Inhib. hit(s) with Target = 'Dimer of Gag-Pol polyprotein [489-587]' and Ligand = 'BDBM2521'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM2521
PNG
(3-[(2-tert-butyl-5-methylphenyl)sulfanyl]-4-hydrox...)
Show SMILES Cc1ccc(c(SC2C(=O)CC(CCc3ccccc3)(OC2=O)c2ccc(OCCO)cc2)c1)C(C)(C)C
Show InChI InChI=1S/C32H36O5S/c1-22-10-15-26(31(2,3)4)28(20-22)38-29-27(34)21-32(37-30(29)35,17-16-23-8-6-5-7-9-23)24-11-13-25(14-12-24)36-19-18-33/h5-15,20,29,33H,16-19,21H2,1-4H3
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 12n/an/an/an/a6.237



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