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SMILES: Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)c(F)c12)C(=O)NCCn1cccc1

InChI Key: InChIKey=DZAUZGQGZFBFOY-UHFFFAOYSA-N

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 4 hits for monomerid = 50483682   
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 protein


(Human immunodeficiency virus 1)
BDBM50483682
PNG
(CHEMBL1766240)
Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)c(F)c12)C(=O)NCCn1cccc1
Show InChI InChI=1S/C23H21ClFN3O3S/c1-14-11-15(2)13-16(12-14)32(30,31)22-19-18(6-5-17(24)20(19)25)27-21(22)23(29)26-7-10-28-8-3-4-9-28/h3-6,8-9,11-13,27H,7,10H2,1-2H3,(H,26,29)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase L100I mutant expressed in Escherichia coli assessed as incorporation of [3H]dTTP into poly(rA)/oligo(dT) by ...


J Med Chem 54: 1587-98 (2011)


Article DOI: 10.1021/jm101614j
BindingDB Entry DOI: 10.7270/Q2ZG6W3H
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50483682
PNG
(CHEMBL1766240)
Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)c(F)c12)C(=O)NCCn1cccc1
Show InChI InChI=1S/C23H21ClFN3O3S/c1-14-11-15(2)13-16(12-14)32(30,31)22-19-18(6-5-17(24)20(19)25)27-21(22)23(29)26-7-10-28-8-3-4-9-28/h3-6,8-9,11-13,27H,7,10H2,1-2H3,(H,26,29)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.70E+3n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase Y181I mutant expressed in Escherichia coli assessed as incorporation of [3H]dTTP into poly(rA)/oligo(dT) by ...


J Med Chem 54: 1587-98 (2011)


Article DOI: 10.1021/jm101614j
BindingDB Entry DOI: 10.7270/Q2ZG6W3H
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50483682
PNG
(CHEMBL1766240)
Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)c(F)c12)C(=O)NCCn1cccc1
Show InChI InChI=1S/C23H21ClFN3O3S/c1-14-11-15(2)13-16(12-14)32(30,31)22-19-18(6-5-17(24)20(19)25)27-21(22)23(29)26-7-10-28-8-3-4-9-28/h3-6,8-9,11-13,27H,7,10H2,1-2H3,(H,26,29)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of HIV1 wild type reverse transcriptase expressed in Escherichia coli assessed as incorporation of [3H]dTTP into poly(rA)/oligo(dT) by sci...


J Med Chem 54: 1587-98 (2011)


Article DOI: 10.1021/jm101614j
BindingDB Entry DOI: 10.7270/Q2ZG6W3H
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(Human immunodeficiency virus 1)
BDBM50483682
PNG
(CHEMBL1766240)
Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)c(F)c12)C(=O)NCCn1cccc1
Show InChI InChI=1S/C23H21ClFN3O3S/c1-14-11-15(2)13-16(12-14)32(30,31)22-19-18(6-5-17(24)20(19)25)27-21(22)23(29)26-7-10-28-8-3-4-9-28/h3-6,8-9,11-13,27H,7,10H2,1-2H3,(H,26,29)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 170n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N mutant expressed in Escherichia coli assessed as incorporation of [3H]dTTP into poly(rA)/oligo(dT) by ...


J Med Chem 54: 1587-98 (2011)


Article DOI: 10.1021/jm101614j
BindingDB Entry DOI: 10.7270/Q2ZG6W3H
More data for this
Ligand-Target Pair