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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 = 'BDBM50101462'   
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)
BDBM50101462
PNG
(3-(2-tert-Butyl-4-hydroxymethyl-5-methyl-phenylsul...)
Show SMILES CC(C)C1(CCc2ccccn2)CC(=O)C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O1
Show InChI InChI=1S/C27H35NO4S/c1-17(2)27(11-10-20-9-7-8-12-28-20)15-22(30)24(25(31)32-27)33-23-13-18(3)19(16-29)14-21(23)26(4,5)6/h7-9,12-14,17,24,29H,10-11,15-16H2,1-6H3
PDB
MMDB

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 1.20n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
HIV-1 protease inhibition.


J Med Chem 44: 2319-32 (2001)


BindingDB Entry DOI: 10.7270/Q2BK1D2T
More data for this
Ligand-Target Pair