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BDBM2723 3-[2-(6-chloro-3-ethoxy-2-fluorophenyl)cyclopropyl]-1-(5-cyanopyridin-2-yl)urea::N-[cis-2-(6-Chloro-3-ethoxy-2-fluorophenyl)cyclopropyl]-N-[2-(5-cyanopyridyl)]urea::urea-PETT deriv. 8

SMILES: CCOc1ccc(Cl)c(C2CC2NC(=O)Nc2ccc(cn2)C#N)c1F

InChI Key: InChIKey=XPCJVVJMITVUDR-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 2723   
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
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM2723
PNG
(3-[2-(6-chloro-3-ethoxy-2-fluorophenyl)cyclopropyl...)
Show SMILES CCOc1ccc(Cl)c(C2CC2NC(=O)Nc2ccc(cn2)C#N)c1F
Show InChI InChI=1S/C18H16ClFN4O2/c1-2-26-14-5-4-12(19)16(17(14)20)11-7-13(11)23-18(25)24-15-6-3-10(8-21)9-22-15/h3-6,9,11,13H,2,7H2,1H3,(H2,22,23,24,25)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.70n/an/an/an/a7.837



Medivir AB



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 42: 4150-60 (1999)


Article DOI: 10.1021/jm950539l
BindingDB Entry DOI: 10.7270/Q25X273G
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (K103N)


(Human immunodeficiency virus type 1)
BDBM2723
PNG
(3-[2-(6-chloro-3-ethoxy-2-fluorophenyl)cyclopropyl...)
Show SMILES CCOc1ccc(Cl)c(C2CC2NC(=O)Nc2ccc(cn2)C#N)c1F
Show InChI InChI=1S/C18H16ClFN4O2/c1-2-26-14-5-4-12(19)16(17(14)20)11-7-13(11)23-18(25)24-15-6-3-10(8-21)9-22-15/h3-6,9,11,13H,2,7H2,1H3,(H2,22,23,24,25)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 192n/an/an/an/a7.837



Medivir AB



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 42: 4150-60 (1999)


Article DOI: 10.1021/jm950539l
BindingDB Entry DOI: 10.7270/Q25X273G
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM2723
PNG
(3-[2-(6-chloro-3-ethoxy-2-fluorophenyl)cyclopropyl...)
Show SMILES CCOc1ccc(Cl)c(C2CC2NC(=O)Nc2ccc(cn2)C#N)c1F
Show InChI InChI=1S/C18H16ClFN4O2/c1-2-26-14-5-4-12(19)16(17(14)20)11-7-13(11)23-18(25)24-15-6-3-10(8-21)9-22-15/h3-6,9,11,13H,2,7H2,1H3,(H2,22,23,24,25)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 20n/an/an/an/a7.837



Medivir AB



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 42: 4150-60 (1999)


Article DOI: 10.1021/jm950539l
BindingDB Entry DOI: 10.7270/Q25X273G
More data for this
Ligand-Target Pair