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BDBM50470153 CHEMBL415908

SMILES: CCN(CC)CCOc1ccc(NC(=O)COc2ccccc2C(=O)c2ccc(OC)cc2)cc1

InChI Key: InChIKey=SBEAODWFNJHFMO-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50470153   
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


(Human immunodeficiency virus 1)
BDBM50470153
PNG
(CHEMBL415908)
Show SMILES CCN(CC)CCOc1ccc(NC(=O)COc2ccccc2C(=O)c2ccc(OC)cc2)cc1
Show InChI InChI=1S/C28H32N2O5/c1-4-30(5-2)18-19-34-24-16-12-22(13-17-24)29-27(31)20-35-26-9-7-6-8-25(26)28(32)21-10-14-23(33-3)15-11-21/h6-17H,4-5,18-20H2,1-3H3,(H,29,31)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.09E+4n/an/an/an/an/an/a



The M.S. University of Baroda

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase


Bioorg Med Chem 17: 5744-62 (2009)


Article DOI: 10.1016/j.bmc.2009.06.060
BindingDB Entry DOI: 10.7270/Q20G3NXJ
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50470153
PNG
(CHEMBL415908)
Show SMILES CCN(CC)CCOc1ccc(NC(=O)COc2ccccc2C(=O)c2ccc(OC)cc2)cc1
Show InChI InChI=1S/C28H32N2O5/c1-4-30(5-2)18-19-34-24-16-12-22(13-17-24)29-27(31)20-35-26-9-7-6-8-25(26)28(32)21-10-14-23(33-3)15-11-21/h6-17H,4-5,18-20H2,1-3H3,(H,29,31)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.42E+4n/an/an/an/an/an/a



Glaxo Research and Development Limited

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 reverse transcriptase


J Med Chem 38: 1657-65 (1995)


Article DOI: 10.1021/jm00010a010
BindingDB Entry DOI: 10.7270/Q27947DP
More data for this
Ligand-Target Pair