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BDBM276042 2-[5-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1-methylimidazol-4-yl]-4-(1H-triazol-4-yl)pyridine::US10071984, Example 4::US10174003, Example 4::US9896436, Example 4

SMILES: Cn1cnc(c1-c1ccc(F)cc1OCC1CC1)-c1cc(ccn1)-c1c[nH]nn1

InChI Key: InChIKey=VAPWXZBGJQGXNZ-UHFFFAOYSA-N

Data: 9 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 9 hits for monomerid = 276042   
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
Lysine-specific demethylase 2B


(Homo sapiens (Human))
BDBM276042
PNG
(2-[5-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1-met...)
Show SMILES Cn1cnc(c1-c1ccc(F)cc1OCC1CC1)-c1cc(ccn1)-c1c[nH]nn1 |(1.71,-3.53,;.22,-3.92,;-.68,-5.17,;-2.15,-4.69,;-2.15,-3.15,;-.68,-2.68,;-.29,-1.19,;-1.37,-.1,;-.98,1.39,;.51,1.78,;.91,3.27,;1.6,.7,;1.2,-.79,;2.29,-1.88,;3.78,-1.48,;4.87,-2.57,;5.27,-4.06,;6.36,-2.97,;-3.48,-2.38,;-3.48,-.84,;-4.82,-.07,;-6.15,-.84,;-6.15,-2.38,;-4.82,-3.15,;-4.82,1.47,;-6.06,2.37,;-5.59,3.84,;-4.05,3.84,;-3.57,2.37,)|
Show InChI InChI=1S/C21H19FN6O/c1-28-12-24-20(17-8-14(6-7-23-17)18-10-25-27-26-18)21(28)16-5-4-15(22)9-19(16)29-11-13-2-3-13/h4-10,12-13H,2-3,11H2,1H3,(H,25,26,27)
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UniChem
US Patent
n/an/a<100n/an/an/an/an/a25



Celgene Quanticel Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of FBXL10 was determined in 384-well plate format under the following reaction conditions: 0.3 ...


US Patent US10071984 (2018)


BindingDB Entry DOI: 10.7270/Q24Q7X0X
More data for this
Ligand-Target Pair
Homo sapiens lysine demethylase 2A (KDM2A)


(Homo sapiens (Human))
BDBM276042
PNG
(2-[5-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1-met...)
Show SMILES Cn1cnc(c1-c1ccc(F)cc1OCC1CC1)-c1cc(ccn1)-c1c[nH]nn1 |(1.71,-3.53,;.22,-3.92,;-.68,-5.17,;-2.15,-4.69,;-2.15,-3.15,;-.68,-2.68,;-.29,-1.19,;-1.37,-.1,;-.98,1.39,;.51,1.78,;.91,3.27,;1.6,.7,;1.2,-.79,;2.29,-1.88,;3.78,-1.48,;4.87,-2.57,;5.27,-4.06,;6.36,-2.97,;-3.48,-2.38,;-3.48,-.84,;-4.82,-.07,;-6.15,-.84,;-6.15,-2.38,;-4.82,-3.15,;-4.82,1.47,;-6.06,2.37,;-5.59,3.84,;-4.05,3.84,;-3.57,2.37,)|
Show InChI InChI=1S/C21H19FN6O/c1-28-12-24-20(17-8-14(6-7-23-17)18-10-25-27-26-18)21(28)16-5-4-15(22)9-19(16)29-11-13-2-3-13/h4-10,12-13H,2-3,11H2,1H3,(H,25,26,27)
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of FBXL11 was determined in 384-well plate format under the following reaction conditions: 0.15...


US Patent US10071984 (2018)


BindingDB Entry DOI: 10.7270/Q24Q7X0X
More data for this
Ligand-Target Pair
histone lysine demethylase PHF8 isoform 2


(Homo sapiens (Human))
BDBM276042
PNG
(2-[5-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1-met...)
Show SMILES Cn1cnc(c1-c1ccc(F)cc1OCC1CC1)-c1cc(ccn1)-c1c[nH]nn1 |(1.71,-3.53,;.22,-3.92,;-.68,-5.17,;-2.15,-4.69,;-2.15,-3.15,;-.68,-2.68,;-.29,-1.19,;-1.37,-.1,;-.98,1.39,;.51,1.78,;.91,3.27,;1.6,.7,;1.2,-.79,;2.29,-1.88,;3.78,-1.48,;4.87,-2.57,;5.27,-4.06,;6.36,-2.97,;-3.48,-2.38,;-3.48,-.84,;-4.82,-.07,;-6.15,-.84,;-6.15,-2.38,;-4.82,-3.15,;-4.82,1.47,;-6.06,2.37,;-5.59,3.84,;-4.05,3.84,;-3.57,2.37,)|
Show InChI InChI=1S/C21H19FN6O/c1-28-12-24-20(17-8-14(6-7-23-17)18-10-25-27-26-18)21(28)16-5-4-15(22)9-19(16)29-11-13-2-3-13/h4-10,12-13H,2-3,11H2,1H3,(H,25,26,27)
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n/an/a 5.50E+3n/an/an/an/an/a25



Celgene Quanticel Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of PHF8 was determined in 384-well plate format under the following reaction conditions: 3 nM P...


US Patent US10071984 (2018)


BindingDB Entry DOI: 10.7270/Q24Q7X0X
More data for this
Ligand-Target Pair
Lysine-specific demethylase 2B


(Homo sapiens (Human))
BDBM276042
PNG
(2-[5-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1-met...)
Show SMILES Cn1cnc(c1-c1ccc(F)cc1OCC1CC1)-c1cc(ccn1)-c1c[nH]nn1 |(1.71,-3.53,;.22,-3.92,;-.68,-5.17,;-2.15,-4.69,;-2.15,-3.15,;-.68,-2.68,;-.29,-1.19,;-1.37,-.1,;-.98,1.39,;.51,1.78,;.91,3.27,;1.6,.7,;1.2,-.79,;2.29,-1.88,;3.78,-1.48,;4.87,-2.57,;5.27,-4.06,;6.36,-2.97,;-3.48,-2.38,;-3.48,-.84,;-4.82,-.07,;-6.15,-.84,;-6.15,-2.38,;-4.82,-3.15,;-4.82,1.47,;-6.06,2.37,;-5.59,3.84,;-4.05,3.84,;-3.57,2.37,)|
Show InChI InChI=1S/C21H19FN6O/c1-28-12-24-20(17-8-14(6-7-23-17)18-10-25-27-26-18)21(28)16-5-4-15(22)9-19(16)29-11-13-2-3-13/h4-10,12-13H,2-3,11H2,1H3,(H,25,26,27)
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of FBXL10 was determined in 384-well plate format under the following reaction conditions: 0.3 ...


US Patent US10174003 (2019)


BindingDB Entry DOI: 10.7270/Q2417053
More data for this
Ligand-Target Pair
Histone lysine demethylase PHF8


(Homo sapiens (Human))
BDBM276042
PNG
(2-[5-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1-met...)
Show SMILES Cn1cnc(c1-c1ccc(F)cc1OCC1CC1)-c1cc(ccn1)-c1c[nH]nn1 |(1.71,-3.53,;.22,-3.92,;-.68,-5.17,;-2.15,-4.69,;-2.15,-3.15,;-.68,-2.68,;-.29,-1.19,;-1.37,-.1,;-.98,1.39,;.51,1.78,;.91,3.27,;1.6,.7,;1.2,-.79,;2.29,-1.88,;3.78,-1.48,;4.87,-2.57,;5.27,-4.06,;6.36,-2.97,;-3.48,-2.38,;-3.48,-.84,;-4.82,-.07,;-6.15,-.84,;-6.15,-2.38,;-4.82,-3.15,;-4.82,1.47,;-6.06,2.37,;-5.59,3.84,;-4.05,3.84,;-3.57,2.37,)|
Show InChI InChI=1S/C21H19FN6O/c1-28-12-24-20(17-8-14(6-7-23-17)18-10-25-27-26-18)21(28)16-5-4-15(22)9-19(16)29-11-13-2-3-13/h4-10,12-13H,2-3,11H2,1H3,(H,25,26,27)
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GSK



Assay Description
PHF8 Assay: The ability of test compounds to inhibit the activity of PHF8 was determined in 384-well plate format under the following reaction condit...


Bioorg Med Chem Lett 17: 1584-9 (2007)


BindingDB Entry DOI: 10.7270/Q2FT8PBQ
More data for this
Ligand-Target Pair
Histone lysine demethylase PHF8


(Homo sapiens (Human))
BDBM276042
PNG
(2-[5-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1-met...)
Show SMILES Cn1cnc(c1-c1ccc(F)cc1OCC1CC1)-c1cc(ccn1)-c1c[nH]nn1 |(1.71,-3.53,;.22,-3.92,;-.68,-5.17,;-2.15,-4.69,;-2.15,-3.15,;-.68,-2.68,;-.29,-1.19,;-1.37,-.1,;-.98,1.39,;.51,1.78,;.91,3.27,;1.6,.7,;1.2,-.79,;2.29,-1.88,;3.78,-1.48,;4.87,-2.57,;5.27,-4.06,;6.36,-2.97,;-3.48,-2.38,;-3.48,-.84,;-4.82,-.07,;-6.15,-.84,;-6.15,-2.38,;-4.82,-3.15,;-4.82,1.47,;-6.06,2.37,;-5.59,3.84,;-4.05,3.84,;-3.57,2.37,)|
Show InChI InChI=1S/C21H19FN6O/c1-28-12-24-20(17-8-14(6-7-23-17)18-10-25-27-26-18)21(28)16-5-4-15(22)9-19(16)29-11-13-2-3-13/h4-10,12-13H,2-3,11H2,1H3,(H,25,26,27)
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PC sid
UniChem
US Patent
n/an/a 5.50E+3n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of PHF8 was determined in 384-well plate format under the following reaction conditions: 3 nM P...


US Patent US10174003 (2019)


BindingDB Entry DOI: 10.7270/Q2417053
More data for this
Ligand-Target Pair
Lysine-specific demethylase 2B


(Homo sapiens (Human))
BDBM276042
PNG
(2-[5-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1-met...)
Show SMILES Cn1cnc(c1-c1ccc(F)cc1OCC1CC1)-c1cc(ccn1)-c1c[nH]nn1 |(1.71,-3.53,;.22,-3.92,;-.68,-5.17,;-2.15,-4.69,;-2.15,-3.15,;-.68,-2.68,;-.29,-1.19,;-1.37,-.1,;-.98,1.39,;.51,1.78,;.91,3.27,;1.6,.7,;1.2,-.79,;2.29,-1.88,;3.78,-1.48,;4.87,-2.57,;5.27,-4.06,;6.36,-2.97,;-3.48,-2.38,;-3.48,-.84,;-4.82,-.07,;-6.15,-.84,;-6.15,-2.38,;-4.82,-3.15,;-4.82,1.47,;-6.06,2.37,;-5.59,3.84,;-4.05,3.84,;-3.57,2.37,)|
Show InChI InChI=1S/C21H19FN6O/c1-28-12-24-20(17-8-14(6-7-23-17)18-10-25-27-26-18)21(28)16-5-4-15(22)9-19(16)29-11-13-2-3-13/h4-10,12-13H,2-3,11H2,1H3,(H,25,26,27)
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n/an/a<100n/an/an/an/an/an/a



GSK



Assay Description
The ability of test compounds to inhibit the activity of FBXL10 was determined in 384-well plate format under the following reaction conditions: 0.3 ...


Bioorg Med Chem Lett 17: 1584-9 (2007)


BindingDB Entry DOI: 10.7270/Q2FT8PBQ
More data for this
Ligand-Target Pair
Homo sapiens lysine demethylase 2A (KDM2A)


(Homo sapiens (Human))
BDBM276042
PNG
(2-[5-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1-met...)
Show SMILES Cn1cnc(c1-c1ccc(F)cc1OCC1CC1)-c1cc(ccn1)-c1c[nH]nn1 |(1.71,-3.53,;.22,-3.92,;-.68,-5.17,;-2.15,-4.69,;-2.15,-3.15,;-.68,-2.68,;-.29,-1.19,;-1.37,-.1,;-.98,1.39,;.51,1.78,;.91,3.27,;1.6,.7,;1.2,-.79,;2.29,-1.88,;3.78,-1.48,;4.87,-2.57,;5.27,-4.06,;6.36,-2.97,;-3.48,-2.38,;-3.48,-.84,;-4.82,-.07,;-6.15,-.84,;-6.15,-2.38,;-4.82,-3.15,;-4.82,1.47,;-6.06,2.37,;-5.59,3.84,;-4.05,3.84,;-3.57,2.37,)|
Show InChI InChI=1S/C21H19FN6O/c1-28-12-24-20(17-8-14(6-7-23-17)18-10-25-27-26-18)21(28)16-5-4-15(22)9-19(16)29-11-13-2-3-13/h4-10,12-13H,2-3,11H2,1H3,(H,25,26,27)
PDB

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n/an/a<100n/an/an/an/an/an/a



GSK



Assay Description
PHF8 Assay: The ability of test compounds to inhibit the activity of PHF8 was determined in 384-well plate format under the following reaction condit...


Bioorg Med Chem Lett 17: 1584-9 (2007)


BindingDB Entry DOI: 10.7270/Q2FT8PBQ
More data for this
Ligand-Target Pair
Homo sapiens lysine demethylase 2A (KDM2A)


(Homo sapiens (Human))
BDBM276042
PNG
(2-[5-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1-met...)
Show SMILES Cn1cnc(c1-c1ccc(F)cc1OCC1CC1)-c1cc(ccn1)-c1c[nH]nn1 |(1.71,-3.53,;.22,-3.92,;-.68,-5.17,;-2.15,-4.69,;-2.15,-3.15,;-.68,-2.68,;-.29,-1.19,;-1.37,-.1,;-.98,1.39,;.51,1.78,;.91,3.27,;1.6,.7,;1.2,-.79,;2.29,-1.88,;3.78,-1.48,;4.87,-2.57,;5.27,-4.06,;6.36,-2.97,;-3.48,-2.38,;-3.48,-.84,;-4.82,-.07,;-6.15,-.84,;-6.15,-2.38,;-4.82,-3.15,;-4.82,1.47,;-6.06,2.37,;-5.59,3.84,;-4.05,3.84,;-3.57,2.37,)|
Show InChI InChI=1S/C21H19FN6O/c1-28-12-24-20(17-8-14(6-7-23-17)18-10-25-27-26-18)21(28)16-5-4-15(22)9-19(16)29-11-13-2-3-13/h4-10,12-13H,2-3,11H2,1H3,(H,25,26,27)
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n/an/a<100n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of FBXL11 was determined in 384-well plate format under the following reaction conditions: 0.15...


US Patent US10174003 (2019)


BindingDB Entry DOI: 10.7270/Q2417053
More data for this
Ligand-Target Pair