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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 10235   
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 [600-1027,R876K]/[600-1155]


(Human immunodeficiency virus type 1)
BDBM10235
PNG
(13-{[(2,6-dimethylpyridin-4-yl)sulfanyl]methyl}-2-...)
Show SMILES CCN1c2nccc(C)c2NC(=O)c2cc(CSc3cc(C)nc(C)c3)cnc12
Show InChI InChI=1S/C22H23N5OS/c1-5-27-20-18(22(28)26-19-13(2)6-7-23-21(19)27)10-16(11-24-20)12-29-17-8-14(3)25-15(4)9-17/h6-11H,5,12H2,1-4H3,(H,26,28)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.20n/an/an/an/a7.437



Boehringer Ingelheim (Canada) Ltd.



Assay Description
IC50 values for wild-type and mutant RTs were obtained from a scintillation proximity assay using poly rC/biotin-dG15 and 3H-dGTP. Each value represe...


Bioorg Med Chem Lett 14: 739-42 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.049
BindingDB Entry DOI: 10.7270/Q2C53J2D
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1027,K702N,Y780C]/[600-1155,K702N,Y780C]


(Human immunodeficiency virus type 1)
BDBM10235
PNG
(13-{[(2,6-dimethylpyridin-4-yl)sulfanyl]methyl}-2-...)
Show SMILES CCN1c2nccc(C)c2NC(=O)c2cc(CSc3cc(C)nc(C)c3)cnc12
Show InChI InChI=1S/C22H23N5OS/c1-5-27-20-18(22(28)26-19-13(2)6-7-23-21(19)27)10-16(11-24-20)12-29-17-8-14(3)25-15(4)9-17/h6-11H,5,12H2,1-4H3,(H,26,28)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 170n/an/an/an/a7.437



Boehringer Ingelheim (Canada) Ltd.



Assay Description
IC50 values for wild-type and mutant RTs were obtained from a scintillation proximity assay using poly rC/biotin-dG15 and 3H-dGTP. Each value represe...


Bioorg Med Chem Lett 14: 739-42 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.049
BindingDB Entry DOI: 10.7270/Q2C53J2D
More data for this
Ligand-Target Pair