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Patent code US9266839

Compile Data Set for Download or QSAR
Found 2 hits of Enzyme Inhibition Constant Data   
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 2D6


(Homo sapiens (Human))		BDBM207961
PNG
(US9266839, 2)
Show SMILES FC(F)(F)c1cc(N\C(Nc2cccc(Cl)c2)=N/C(=O)c2cccc(Cl)c2)n[nH]1
Show InChI InChI=1S/C18H12Cl2F3N5O/c19-11-4-1-3-10(7-11)16(29)26-17(24-13-6-2-5-12(20)8-13)25-15-9-14(27-28-15)18(21,22)23/h1-9H,(H3,24,25,26,27,28,29)
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 1.10E+3n/an/an/an/an/an/a



Lycera Corporation

US Patent


Assay Description
Master solutions were prepared containing human liver microsomes (Gibco, 0.2 mg/mL) and MgCl2 (5 mM) in potassium phosphate buffer (10 mM). To aliquo...

US Patent US9266839 (2016)


BindingDB Entry DOI: 10.7270/Q2Z89B7R
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))		BDBM207962
PNG
(US9266839, 1)
Show SMILES Fc1cc(Cl)cc(NC(Nc2cc([nH]n2)C(F)(F)F)=NC(=O)c2cccc(Cl)c2)c1 |w:19.20|
Show InChI InChI=1S/C18H11Cl2F4N5O/c19-10-3-1-2-9(4-10)16(30)27-17(25-13-6-11(20)5-12(21)7-13)26-15-8-14(28-29-15)18(22,23)24/h1-8H,(H3,25,26,27,28,29,30)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
US Patent
n/an/a 3.20E+3n/an/an/an/an/an/a



Lycera Corporation

US Patent


Assay Description
Master solutions were prepared containing human liver microsomes (Gibco, 0.2 mg/mL) and MgCl2 (5 mM) in potassium phosphate buffer (10 mM). To aliquo...

US Patent US9266839 (2016)


BindingDB Entry DOI: 10.7270/Q2Z89B7R
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%