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SMILES: Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)NCN1CCOCC1

InChI Key: InChIKey=YPIUHVHEJAWBSX-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 = 50483706   
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


(Human immunodeficiency virus 1)
BDBM50483706
PNG
(CHEMBL1766217)
Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)NCN1CCOCC1
Show InChI InChI=1S/C22H24ClN3O4S/c1-14-9-15(2)11-17(10-14)31(28,29)21-18-12-16(23)3-4-19(18)25-20(21)22(27)24-13-26-5-7-30-8-6-26/h3-4,9-12,25H,5-8,13H2,1-2H3,(H,24,27)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.48E+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 protein


(Human immunodeficiency virus 1)
BDBM50483706
PNG
(CHEMBL1766217)
Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)NCN1CCOCC1
Show InChI InChI=1S/C22H24ClN3O4S/c1-14-9-15(2)11-17(10-14)31(28,29)21-18-12-16(23)3-4-19(18)25-20(21)22(27)24-13-26-5-7-30-8-6-26/h3-4,9-12,25H,5-8,13H2,1-2H3,(H,24,27)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 512n/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
Reverse transcriptase protein


(Human immunodeficiency virus 1)
BDBM50483706
PNG
(CHEMBL1766217)
Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)NCN1CCOCC1
Show InChI InChI=1S/C22H24ClN3O4S/c1-14-9-15(2)11-17(10-14)31(28,29)21-18-12-16(23)3-4-19(18)25-20(21)22(27)24-13-26-5-7-30-8-6-26/h3-4,9-12,25H,5-8,13H2,1-2H3,(H,24,27)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 117n/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)
BDBM50483706
PNG
(CHEMBL1766217)
Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)NCN1CCOCC1
Show InChI InChI=1S/C22H24ClN3O4S/c1-14-9-15(2)11-17(10-14)31(28,29)21-18-12-16(23)3-4-19(18)25-20(21)22(27)24-13-26-5-7-30-8-6-26/h3-4,9-12,25H,5-8,13H2,1-2H3,(H,24,27)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 54n/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