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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 = 'BDBM50410042'   
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)		BDBM50410042
PNG
(CHEMBL366431)
Show SMILES NC(=O)c1cc(ccc1F)N1[C@H](CCc2ccccc2)[C@@H](O)[C@@H](Cc2ccccc2)N(C1=O)c1ccc(F)c(c1)C(N)=O
Show InChI InChI=1S/C33H30F2N4O4/c34-26-14-12-22(18-24(26)31(36)41)38-28(16-11-20-7-3-1-4-8-20)30(40)29(17-21-9-5-2-6-10-21)39(33(38)43)23-13-15-27(35)25(19-23)32(37)42/h1-10,12-15,18-19,28-30,40H,11,16-17H2,(H2,36,41)(H2,37,42)/t28-,29-,30-/m1/s1
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PC cid
PC sid
UniChem

Similars
Article
PubMed
 1.41n/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