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BDBM2734 (1R,2R)-N-[cis-2-(6-Fluoro-2-hydroxy-3-propionylphenyl)cyclopropyl]-N-[2-(5-chloropyridyl)]urea::1-(5-chloropyridin-2-yl)-3-[(1R,2R)-2-(6-fluoro-2-hydroxy-3-propanoylphenyl)cyclopropyl]urea::urea-PETT deriv. 19

SMILES: CCC(=O)c1ccc(F)c([C@H]2C[C@H]2NC(=O)Nc2ccc(Cl)cn2)c1O

InChI Key: InChIKey=LSOMQLHUCGDDFP-WCQYABFASA-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 = 2734   
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)
BDBM2734
PNG
((1R,2R)-N-[cis-2-(6-Fluoro-2-hydroxy-3-propionylph...)
Show SMILES CCC(=O)c1ccc(F)c([C@H]2C[C@H]2NC(=O)Nc2ccc(Cl)cn2)c1O |r|
Show InChI InChI=1S/C18H17ClFN3O3/c1-2-14(24)10-4-5-12(20)16(17(10)25)11-7-13(11)22-18(26)23-15-6-3-9(19)8-21-15/h3-6,8,11,13,25H,2,7H2,1H3,(H2,21,22,23,26)/t11-,13+/m0/s1
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.20n/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)
BDBM2734
PNG
((1R,2R)-N-[cis-2-(6-Fluoro-2-hydroxy-3-propionylph...)
Show SMILES CCC(=O)c1ccc(F)c([C@H]2C[C@H]2NC(=O)Nc2ccc(Cl)cn2)c1O |r|
Show InChI InChI=1S/C18H17ClFN3O3/c1-2-14(24)10-4-5-12(20)16(17(10)25)11-7-13(11)22-18(26)23-15-6-3-9(19)8-21-15/h3-6,8,11,13,25H,2,7H2,1H3,(H2,21,22,23,26)/t11-,13+/m0/s1
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 82n/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)
BDBM2734
PNG
((1R,2R)-N-[cis-2-(6-Fluoro-2-hydroxy-3-propionylph...)
Show SMILES CCC(=O)c1ccc(F)c([C@H]2C[C@H]2NC(=O)Nc2ccc(Cl)cn2)c1O |r|
Show InChI InChI=1S/C18H17ClFN3O3/c1-2-14(24)10-4-5-12(20)16(17(10)25)11-7-13(11)22-18(26)23-15-6-3-9(19)8-21-15/h3-6,8,11,13,25H,2,7H2,1H3,(H2,21,22,23,26)/t11-,13+/m0/s1
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 19n/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