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BDBM50220023 (5R)-3-{3-fluoro-4-[6-(1H-imidazol-1-ylacetyl)pyridin-3-yl]-phenyl}-5-(1H-1,2,3-triazol-1-ylmethyl)-1,3-oxazolidin-2-one::CHEMBL230964

SMILES: Fc1cc(ccc1-c1ccc(nc1)C(=O)Cn1ccnc1)N1C[C@H](Cn2ccnn2)OC1=O

InChI Key: InChIKey=OPZCLJWDQNPUHB-KRWDZBQOSA-N

Data: 1 KI  5 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 6 hits for monomerid = 50220023   
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
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM50220023
PNG
((5R)-3-{3-fluoro-4-[6-(1H-imidazol-1-ylacetyl)pyri...)
Show SMILES Fc1cc(ccc1-c1ccc(nc1)C(=O)Cn1ccnc1)N1C[C@H](Cn2ccnn2)OC1=O
Show InChI InChI=1S/C22H18FN7O3/c23-19-9-16(30-12-17(33-22(30)32)11-29-8-6-26-27-29)2-3-18(19)15-1-4-20(25-10-15)21(31)13-28-7-5-24-14-28/h1-10,14,17H,11-13H2/t17-/m0/s1
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>1.20E+4n/an/an/an/an/an/an/an/a



AstraZeneca Discovery

Curated by ChEMBL


Assay Description
Inhibition of human liver MAOA expressed in yeast


J Med Chem 50: 4868-81 (2007)


Article DOI: 10.1021/jm070428+
BindingDB Entry DOI: 10.7270/Q2SX6CX0
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50220023
PNG
((5R)-3-{3-fluoro-4-[6-(1H-imidazol-1-ylacetyl)pyri...)
Show SMILES Fc1cc(ccc1-c1ccc(nc1)C(=O)Cn1ccnc1)N1C[C@H](Cn2ccnn2)OC1=O
Show InChI InChI=1S/C22H18FN7O3/c23-19-9-16(30-12-17(33-22(30)32)11-29-8-6-26-27-29)2-3-18(19)15-1-4-20(25-10-15)21(31)13-28-7-5-24-14-28/h1-10,14,17H,11-13H2/t17-/m0/s1
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n/an/a 300n/an/an/an/an/an/a



AstraZeneca Discovery

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP3A4


J Med Chem 50: 4868-81 (2007)


Article DOI: 10.1021/jm070428+
BindingDB Entry DOI: 10.7270/Q2SX6CX0
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50220023
PNG
((5R)-3-{3-fluoro-4-[6-(1H-imidazol-1-ylacetyl)pyri...)
Show SMILES Fc1cc(ccc1-c1ccc(nc1)C(=O)Cn1ccnc1)N1C[C@H](Cn2ccnn2)OC1=O
Show InChI InChI=1S/C22H18FN7O3/c23-19-9-16(30-12-17(33-22(30)32)11-29-8-6-26-27-29)2-3-18(19)15-1-4-20(25-10-15)21(31)13-28-7-5-24-14-28/h1-10,14,17H,11-13H2/t17-/m0/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



AstraZeneca Discovery

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP1A2


J Med Chem 50: 4868-81 (2007)


Article DOI: 10.1021/jm070428+
BindingDB Entry DOI: 10.7270/Q2SX6CX0
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50220023
PNG
((5R)-3-{3-fluoro-4-[6-(1H-imidazol-1-ylacetyl)pyri...)
Show SMILES Fc1cc(ccc1-c1ccc(nc1)C(=O)Cn1ccnc1)N1C[C@H](Cn2ccnn2)OC1=O
Show InChI InChI=1S/C22H18FN7O3/c23-19-9-16(30-12-17(33-22(30)32)11-29-8-6-26-27-29)2-3-18(19)15-1-4-20(25-10-15)21(31)13-28-7-5-24-14-28/h1-10,14,17H,11-13H2/t17-/m0/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



AstraZeneca Discovery

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2D6


J Med Chem 50: 4868-81 (2007)


Article DOI: 10.1021/jm070428+
BindingDB Entry DOI: 10.7270/Q2SX6CX0
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50220023
PNG
((5R)-3-{3-fluoro-4-[6-(1H-imidazol-1-ylacetyl)pyri...)
Show SMILES Fc1cc(ccc1-c1ccc(nc1)C(=O)Cn1ccnc1)N1C[C@H](Cn2ccnn2)OC1=O
Show InChI InChI=1S/C22H18FN7O3/c23-19-9-16(30-12-17(33-22(30)32)11-29-8-6-26-27-29)2-3-18(19)15-1-4-20(25-10-15)21(31)13-28-7-5-24-14-28/h1-10,14,17H,11-13H2/t17-/m0/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



AstraZeneca Discovery

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2C19


J Med Chem 50: 4868-81 (2007)


Article DOI: 10.1021/jm070428+
BindingDB Entry DOI: 10.7270/Q2SX6CX0
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50220023
PNG
((5R)-3-{3-fluoro-4-[6-(1H-imidazol-1-ylacetyl)pyri...)
Show SMILES Fc1cc(ccc1-c1ccc(nc1)C(=O)Cn1ccnc1)N1C[C@H](Cn2ccnn2)OC1=O
Show InChI InChI=1S/C22H18FN7O3/c23-19-9-16(30-12-17(33-22(30)32)11-29-8-6-26-27-29)2-3-18(19)15-1-4-20(25-10-15)21(31)13-28-7-5-24-14-28/h1-10,14,17H,11-13H2/t17-/m0/s1
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n/an/a 8.00E+3n/an/an/an/an/an/a



AstraZeneca Discovery

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2C9


J Med Chem 50: 4868-81 (2007)


Article DOI: 10.1021/jm070428+
BindingDB Entry DOI: 10.7270/Q2SX6CX0
More data for this
Ligand-Target Pair