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SMILES: CCCCCCCCCCCCCCCC(=O)Nc1c(OC(=O)CCCCCCCCCCCCCCC)cc(c2ccccc12)S(O)(=O)=O

InChI Key: InChIKey=PQSSNMNYWBIKIT-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50030217   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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)
BDBM50030217
PNG
(CHEMBL313213 | Hexadecanoic acid 1-hexadecanoylami...)
Show SMILES CCCCCCCCCCCCCCCC(=O)Nc1c(OC(=O)CCCCCCCCCCCCCCC)cc(c2ccccc12)S(O)(=O)=O
Show InChI InChI=1S/C42H69NO6S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-33-40(44)43-42-37-32-30-29-31-36(37)39(50(46,47)48)35-38(42)49-41(45)34-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-32,35H,3-28,33-34H2,1-2H3,(H,43,44)(H,46,47,48)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 720n/an/an/an/an/an/a



College of Pharmacy

Curated by ChEMBL


Assay Description
The 50% inhibitory concentration was measured as inhibition of RNA-dependent DNA polymerase activity


J Med Chem 37: 2513-9 (1994)


BindingDB Entry DOI: 10.7270/Q2HQ3XXX
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM50030217
PNG
(CHEMBL313213 | Hexadecanoic acid 1-hexadecanoylami...)
Show SMILES CCCCCCCCCCCCCCCC(=O)Nc1c(OC(=O)CCCCCCCCCCCCCCC)cc(c2ccccc12)S(O)(=O)=O
Show InChI InChI=1S/C42H69NO6S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-33-40(44)43-42-37-32-30-29-31-36(37)39(50(46,47)48)35-38(42)49-41(45)34-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-32,35H,3-28,33-34H2,1-2H3,(H,43,44)(H,46,47,48)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 6.60E+3n/an/an/an/an/an/a



College of Pharmacy

Curated by ChEMBL


Assay Description
The 50% inhibitory concentration was measured as inhibition of DNA-dependent DNA polymerase activity


J Med Chem 37: 2513-9 (1994)


BindingDB Entry DOI: 10.7270/Q2HQ3XXX
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50030217
PNG
(CHEMBL313213 | Hexadecanoic acid 1-hexadecanoylami...)
Show SMILES CCCCCCCCCCCCCCCC(=O)Nc1c(OC(=O)CCCCCCCCCCCCCCC)cc(c2ccccc12)S(O)(=O)=O
Show InChI InChI=1S/C42H69NO6S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-33-40(44)43-42-37-32-30-29-31-36(37)39(50(46,47)48)35-38(42)49-41(45)34-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-32,35H,3-28,33-34H2,1-2H3,(H,43,44)(H,46,47,48)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.68E+4n/an/an/an/an/an/a



College of Pharmacy

Curated by ChEMBL


Assay Description
The 50% inhibitory concentration was measured as inhibition of Ribonuclease H activity of reverse transcriptase


J Med Chem 37: 2513-9 (1994)


BindingDB Entry DOI: 10.7270/Q2HQ3XXX
More data for this
Ligand-Target Pair