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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 = 'BDBM4148'   
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)		BDBM4148
PNG
((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-2-hydroxy...)
Show SMILES Cc1cc(O)c(C)c(c1)C(=O)N[C@@H](Cc1cccc(c1)C(F)(F)F)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C29H35ClF3N3O5/c1-15-9-20(16(2)23(37)10-15)25(39)34-21(12-17-7-6-8-18(11-17)29(31,32)33)24(38)27(41)36-14-19(30)13-22(36)26(40)35-28(3,4)5/h6-11,19,21-22,24,37-38H,12-14H2,1-5H3,(H,34,39)(H,35,40)/t19-,21-,22-,24-/m0/s1
PDB

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PC cid
PC sid
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Similars
Article
PubMed
n/an/a 1.90n/an/an/an/an/an/a



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...

Bioorg Med Chem 7: 2063-72 (1999)


Article DOI: 10.1016/s0968-0896(99)00127-3
BindingDB Entry DOI: 10.7270/Q23T9FD0
More data for this
Ligand-Target Pair