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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein [489-587]' and Ligand = 'BDBM50410028'   
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
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50410028
PNG
(CHEMBL359753)
Show SMILES O[C@@H]1[C@@H](CCc2ccccc2)N(C(=O)N([C@@H]1Cc1ccccc1)c1cccc(O)c1)c1cccc(O)c1
Show InChI InChI=1S/C31H30N2O4/c34-26-15-7-13-24(20-26)32-28(18-17-22-9-3-1-4-10-22)30(36)29(19-23-11-5-2-6-12-23)33(31(32)37)25-14-8-16-27(35)21-25/h1-16,20-21,28-30,34-36H,17-19H2/t28-,29-,30-/m1/s1
PDB
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PC cid
PC sid
UniChem

Similars
Article
PubMed
 0.302n/an/an/an/an/an/an/an/a



Clarkson University

Curated by ChEMBL


Assay Description
Antiviral activity potency was assessed by measuring effect on the accumulation of viral RNA transcripts 3 days after infection of MT-2 cells with HI...

Bioorg Med Chem Lett 15: 3767-70 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.087
BindingDB Entry DOI: 10.7270/Q2SQ91KF
More data for this
Ligand-Target Pair