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SMILES: COc1ccc(NC(=O)CCCCC(=O)Nc2ccc(OC)cc2C(O)=O)c(c1)C(O)=O

InChI Key: InChIKey=YWLLEUSTBASKAE-UHFFFAOYSA-N

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   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50071765   
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
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50071765
PNG
(2-[4-(2-carboxy-4-methoxyphenylcarbamoyl)butylcarb...)
Show SMILES COc1ccc(NC(=O)CCCCC(=O)Nc2ccc(OC)cc2C(O)=O)c(c1)C(O)=O
Show InChI InChI=1S/C22H24N2O8/c1-31-13-7-9-17(15(11-13)21(27)28)23-19(25)5-3-4-6-20(26)24-18-10-8-14(32-2)12-16(18)22(29)30/h7-12H,3-6H2,1-2H3,(H,23,25)(H,24,26)(H,27,28)(H,29,30)
PDB
MMDB

UniProtKB/TrEMBL

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

Similars

PubMed
n/an/a 4.30E+3n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Center

Curated by ChEMBL


Assay Description
Evaluated for inhibition of HIV-2 reverse transcriptase


Bioorg Med Chem Lett 8: 2623-8 (1999)


BindingDB Entry DOI: 10.7270/Q2RF5T6F
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50071765
PNG
(2-[4-(2-carboxy-4-methoxyphenylcarbamoyl)butylcarb...)
Show SMILES COc1ccc(NC(=O)CCCCC(=O)Nc2ccc(OC)cc2C(O)=O)c(c1)C(O)=O
Show InChI InChI=1S/C22H24N2O8/c1-31-13-7-9-17(15(11-13)21(27)28)23-19(25)5-3-4-6-20(26)24-18-10-8-14(32-2)12-16(18)22(29)30/h7-12H,3-6H2,1-2H3,(H,23,25)(H,24,26)(H,27,28)(H,29,30)
PDB
MMDB

UniProtKB/TrEMBL

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

Similars

PubMed
n/an/a 1.06E+4n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Center

Curated by ChEMBL


Assay Description
Evaluated for inhibition of HIV-1 reverse transcriptase


Bioorg Med Chem Lett 8: 2623-8 (1999)


BindingDB Entry DOI: 10.7270/Q2RF5T6F
More data for this
Ligand-Target Pair