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BDBM2730 1-(5-cyanopyridin-2-yl)-3-[2-(3-acetyl-6-fluoro-2-hydroxyphenyl)cyclopropyl]urea::N-[cis-2-(3-Acetyl-6-fluoro-2-hydroxyphenyl)cyclopropyl]-N-[2-(5-cyanopyridyl)]urea::urea-PETT deriv. 15

SMILES: CC(=O)c1ccc(F)c(C2CC2NC(=O)Nc2ccc(cn2)C#N)c1O

InChI Key: InChIKey=MNZXPIGNPIOMFO-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 = 2730   
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)
BDBM2730
PNG
(1-(5-cyanopyridin-2-yl)-3-[2-(3-acetyl-6-fluoro-2-...)
Show SMILES CC(=O)c1ccc(F)c(C2CC2NC(=O)Nc2ccc(cn2)C#N)c1O
Show InChI InChI=1S/C18H15FN4O3/c1-9(24)11-3-4-13(19)16(17(11)25)12-6-14(12)22-18(26)23-15-5-2-10(7-20)8-21-15/h2-5,8,12,14,25H,6H2,1H3,(H2,21,22,23,26)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.30n/an/an/an/an/an/a



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)
BDBM2730
PNG
(1-(5-cyanopyridin-2-yl)-3-[2-(3-acetyl-6-fluoro-2-...)
Show SMILES CC(=O)c1ccc(F)c(C2CC2NC(=O)Nc2ccc(cn2)C#N)c1O
Show InChI InChI=1S/C18H15FN4O3/c1-9(24)11-3-4-13(19)16(17(11)25)12-6-14(12)22-18(26)23-15-5-2-10(7-20)8-21-15/h2-5,8,12,14,25H,6H2,1H3,(H2,21,22,23,26)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 98n/an/an/an/an/an/a



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)
BDBM2730
PNG
(1-(5-cyanopyridin-2-yl)-3-[2-(3-acetyl-6-fluoro-2-...)
Show SMILES CC(=O)c1ccc(F)c(C2CC2NC(=O)Nc2ccc(cn2)C#N)c1O
Show InChI InChI=1S/C18H15FN4O3/c1-9(24)11-3-4-13(19)16(17(11)25)12-6-14(12)22-18(26)23-15-5-2-10(7-20)8-21-15/h2-5,8,12,14,25H,6H2,1H3,(H2,21,22,23,26)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 16n/an/an/an/an/an/a



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