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SMILES: CCC(=O)c1ccc(F)c(C2CC2NC(=O)Nc2ccc(Cl)cn2)c1O

InChI Key: InChIKey=LSOMQLHUCGDDFP-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 2728   
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
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)
BDBM2728
PNG
(1-(5-chloropyridin-2-yl)-3-[2-(6-fluoro-2-hydroxy-...)
Show SMILES CCC(=O)c1ccc(F)c(C2CC2NC(=O)Nc2ccc(Cl)cn2)c1O
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)
PDB
MMDB

UniProtKB/SwissProt

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PC sid
UniChem

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Article
PubMed
n/an/a 9n/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/jm990095j
BindingDB Entry DOI: 10.7270/Q25X273G
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C]


(Human immunodeficiency virus type 1)
BDBM2728
PNG
(1-(5-chloropyridin-2-yl)-3-[2-(6-fluoro-2-hydroxy-...)
Show SMILES CCC(=O)c1ccc(F)c(C2CC2NC(=O)Nc2ccc(Cl)cn2)c1O
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)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 51n/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/jm990095j
BindingDB Entry DOI: 10.7270/Q25X273G
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027,K690N]/[588-1147,K690N]


(Human immunodeficiency virus type 1)
BDBM2728
PNG
(1-(5-chloropyridin-2-yl)-3-[2-(6-fluoro-2-hydroxy-...)
Show SMILES CCC(=O)c1ccc(F)c(C2CC2NC(=O)Nc2ccc(Cl)cn2)c1O
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)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 57n/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/jm990095j
BindingDB Entry DOI: 10.7270/Q25X273G
More data for this
Ligand-Target Pair