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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Reverse transcriptase' and Ligand = 'BDBM50033864'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50033864
PNG
(CHEMBL3358160)
Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)Nc1cccc(N)c1
Show InChI InChI=1S/C23H20ClN3O3S/c1-13-8-14(2)10-18(9-13)31(29,30)22-19-11-15(24)6-7-20(19)27-21(22)23(28)26-17-5-3-4-16(25)12-17/h3-12,27H,25H2,1-2H3,(H,26,28)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 19n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of wild type HIV1 reverse transcriptase assessed as reduction in enzyme activity


J Med Chem 57: 9945-57 (2014)


Article DOI: 10.1021/jm5011622
BindingDB Entry DOI: 10.7270/Q2FB54K8
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50033864
PNG
(CHEMBL3358160)
Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)Nc1cccc(N)c1
Show InChI InChI=1S/C23H20ClN3O3S/c1-13-8-14(2)10-18(9-13)31(29,30)22-19-11-15(24)6-7-20(19)27-21(22)23(28)26-17-5-3-4-16(25)12-17/h3-12,27H,25H2,1-2H3,(H,26,28)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 226n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of wild type HIV1 reverse transcriptase Y181I mutant assessed as reduction in enzyme activity


J Med Chem 57: 9945-57 (2014)


Article DOI: 10.1021/jm5011622
BindingDB Entry DOI: 10.7270/Q2FB54K8
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50033864
PNG
(CHEMBL3358160)
Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)Nc1cccc(N)c1
Show InChI InChI=1S/C23H20ClN3O3S/c1-13-8-14(2)10-18(9-13)31(29,30)22-19-11-15(24)6-7-20(19)27-21(22)23(28)26-17-5-3-4-16(25)12-17/h3-12,27H,25H2,1-2H3,(H,26,28)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 310n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of wild type HIV1 reverse transcriptase K103N mutant assessed as reduction in enzyme activity


J Med Chem 57: 9945-57 (2014)


Article DOI: 10.1021/jm5011622
BindingDB Entry DOI: 10.7270/Q2FB54K8
More data for this
Ligand-Target Pair