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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 4160   
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)
BDBM4160
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](Cc1ccc(cc1)-c1ccccc1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C34H40ClN3O5/c1-20-15-26(21(2)29(39)16-20)31(41)36-27(17-22-11-13-24(14-12-22)23-9-7-6-8-10-23)30(40)33(43)38-19-25(35)18-28(38)32(42)37-34(3,4)5/h6-16,25,27-28,30,39-40H,17-19H2,1-5H3,(H,36,41)(H,37,42)/t25-,27-,28-,30-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.30n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 protease


J Med Chem 45: 333-43 (2002)


BindingDB Entry DOI: 10.7270/Q20K27VB
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM4160
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](Cc1ccc(cc1)-c1ccccc1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C34H40ClN3O5/c1-20-15-26(21(2)29(39)16-20)31(41)36-27(17-22-11-13-24(14-12-22)23-9-7-6-8-10-23)30(40)33(43)38-19-25(35)18-28(38)32(42)37-34(3,4)5/h6-16,25,27-28,30,39-40H,17-19H2,1-5H3,(H,36,41)(H,37,42)/t25-,27-,28-,30-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.30n/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