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BDBM50483685 CHEMBL1766224

SMILES: Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)c(F)c12)C(=O)NCc1ccccc1

InChI Key: InChIKey=OSEJQKRMCRXNGM-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50483685   
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)
BDBM50483685
PNG
(CHEMBL1766224)
Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)c(F)c12)C(=O)NCc1ccccc1
Show InChI InChI=1S/C24H20ClFN2O3S/c1-14-10-15(2)12-17(11-14)32(30,31)23-20-19(9-8-18(25)21(20)26)28-22(23)24(29)27-13-16-6-4-3-5-7-16/h3-12,28H,13H2,1-2H3,(H,27,29)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 40n/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)
BDBM50483685
PNG
(CHEMBL1766224)
Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)c(F)c12)C(=O)NCc1ccccc1
Show InChI InChI=1S/C24H20ClFN2O3S/c1-14-10-15(2)12-17(11-14)32(30,31)23-20-19(9-8-18(25)21(20)26)28-22(23)24(29)27-13-16-6-4-3-5-7-16/h3-12,28H,13H2,1-2H3,(H,27,29)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>4.00E+4n/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)
BDBM50483685
PNG
(CHEMBL1766224)
Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)c(F)c12)C(=O)NCc1ccccc1
Show InChI InChI=1S/C24H20ClFN2O3S/c1-14-10-15(2)12-17(11-14)32(30,31)23-20-19(9-8-18(25)21(20)26)28-22(23)24(29)27-13-16-6-4-3-5-7-16/h3-12,28H,13H2,1-2H3,(H,27,29)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 40n/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)
BDBM50483685
PNG
(CHEMBL1766224)
Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)c(F)c12)C(=O)NCc1ccccc1
Show InChI InChI=1S/C24H20ClFN2O3S/c1-14-10-15(2)12-17(11-14)32(30,31)23-20-19(9-8-18(25)21(20)26)28-22(23)24(29)27-13-16-6-4-3-5-7-16/h3-12,28H,13H2,1-2H3,(H,27,29)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 144n/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