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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 = 'BDBM312'   
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)		BDBM312
PNG
((2S,3R)-2-methyl-1,1-dioxo--thiolan-3-yl N-[(2R,3R...)
Show SMILES [H][C@]12CCS[C@@]1([H])CC(N(C[C@@H](O)[C@H](CSc1ccccc1)NC(=O)O[C@@H]1CCS(=O)(=O)[C@H]1C)C2)C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C28H43N3O6S3/c1-18-24(11-13-40(18,35)36)37-27(34)29-21(17-39-20-8-6-5-7-9-20)23(32)16-31-15-19-10-12-38-25(19)14-22(31)26(33)30-28(2,3)4/h5-9,18-19,21-25,32H,10-17H2,1-4H3,(H,29,34)(H,30,33)/t18-,19+,21-,22?,23+,24+,25-/m0/s1
PDB

UniProtKB/SwissProt

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AffyNet 
PC cid
PC sid
UniChem

Similars
Article
n/an/a 1.40n/an/an/an/a5.522



Lilly Research Laboratories



Assay Description
The assay involves the use of a HIV-1 protease peptide substrate which has been modified to contain a biotin moiety on one side and a fluorescent rep...

Bioorg Med Chem Lett 5: 2891-6 (1995)


Article DOI: 10.1016/0960-894X(95)00507-P
BindingDB Entry DOI: 10.7270/Q2T43R7T
More data for this
Ligand-Target Pair