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Compile Data Set for Download or QSAR

Found 6 hits with Last Name = 'pattipati' and Initial = 'r'   
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
Cytochrome P450 1A2


(Homo sapiens (Human))
BDBM50555233
PNG
(CHEMBL4753698)
Show SMILES [Na;v0+].[H][C@]12[#6]-[#7](-[#6@H](F)-[#6]-[#6]1)-[#6](=O)-[#7]2-[#8]S([#8-])(=O)=O |r|
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CYP1A2 in human liver microsomes in presence of NADPH by LC-MS/MS analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01535
BindingDB Entry DOI: 10.7270/Q2862M45
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50555233
PNG
(CHEMBL4753698)
Show SMILES [Na;v0+].[H][C@]12[#6]-[#7](-[#6@H](F)-[#6]-[#6]1)-[#6](=O)-[#7]2-[#8]S([#8-])(=O)=O |r|
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CYP2C9 in human liver microsomes in presence of NADPH by LC-MS/MS analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01535
BindingDB Entry DOI: 10.7270/Q2862M45
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50555233
PNG
(CHEMBL4753698)
Show SMILES [Na;v0+].[H][C@]12[#6]-[#7](-[#6@H](F)-[#6]-[#6]1)-[#6](=O)-[#7]2-[#8]S([#8-])(=O)=O |r|
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MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CYP2C19 in human liver microsomes in presence of NADPH by LC-MS/MS analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01535
BindingDB Entry DOI: 10.7270/Q2862M45
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50555233
PNG
(CHEMBL4753698)
Show SMILES [Na;v0+].[H][C@]12[#6]-[#7](-[#6@H](F)-[#6]-[#6]1)-[#6](=O)-[#7]2-[#8]S([#8-])(=O)=O |r|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CYP2D6 in human liver microsomes in presence of NADPH by LC-MS/MS analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01535
BindingDB Entry DOI: 10.7270/Q2862M45
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50555233
PNG
(CHEMBL4753698)
Show SMILES [Na;v0+].[H][C@]12[#6]-[#7](-[#6@H](F)-[#6]-[#6]1)-[#6](=O)-[#7]2-[#8]S([#8-])(=O)=O |r|
PDB
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PC cid
PC sid
UniChem
Article
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n/an/a>5.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CYP3A4 in human liver microsomes in presence of NADPH by LC-MS/MS analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01535
BindingDB Entry DOI: 10.7270/Q2862M45
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50555233
PNG
(CHEMBL4753698)
Show SMILES [Na;v0+].[H][C@]12[#6]-[#7](-[#6@H](F)-[#6]-[#6]1)-[#6](=O)-[#7]2-[#8]S([#8-])(=O)=O |r|
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human ERG by patch-clamp assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01535
BindingDB Entry DOI: 10.7270/Q2862M45
More data for this
Ligand-Target Pair