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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dimer of Gag-Pol polyprotein [489-587]' and Ligand = 'BDBM7071'   
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)		BDBM7071
PNG
((4R,5S,6S,7R)-1,3-bis(cyclopropylmethyl)-5,6-dihyd...)
Show SMILES O[C@@H]1[C@@H](O)[C@@H](Cc2cccs2)N(CC2CC2)C(=O)N(CC2CC2)[C@@H]1Cc1cccs1
Show InChI InChI=1S/C23H30N2O3S2/c26-21-19(11-17-3-1-9-29-17)24(13-15-5-6-15)23(28)25(14-16-7-8-16)20(22(21)27)12-18-4-2-10-30-18/h1-4,9-10,15-16,19-22,26-27H,5-8,11-14H2/t19-,20-,21+,22+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 9.10 -47.7n/an/an/an/an/a5.537



DuPont Merck Pharmaceutical Company



Assay Description
Inhibition of HIV protease was measured by assay of the cleavage of a fluorescent peptide substrate. The fluorescent product (2-aminobenzoyl-Ala-Thr-...

Bioorg Med Chem Lett 8: 1077-82 (1998)


Article DOI: 10.1016/s0960-894x(98)00175-9
BindingDB Entry DOI: 10.7270/Q21G0JGN
More data for this
Ligand-Target Pair