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BDBM214688 US9295672, (4-fluorophenyl)(4-((5-methyl-1H-pyrazol-3-yl)amino)quinazolin-2-yl)methanol

SMILES: Cc1cc(Nc2nc(nc3ccccc23)C(O)c2ccc(F)cc2)n[nH]1

InChI Key: InChIKey=DCRWIATZWHLIPN-UHFFFAOYNA-N

Data: 7 IC50  4 Kd

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 11 hits for monomerid = 214688   
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
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM214688
PNG
(US9295672, (4-fluorophenyl)(4-((5-methyl-1H-pyraz...)
Show SMILES Cc1cc(Nc2nc(nc3ccccc23)C(O)c2ccc(F)cc2)n[nH]1
Show InChI InChI=1/C19H16FN5O/c1-11-10-16(25-24-11)22-18-14-4-2-3-5-15(14)21-19(23-18)17(26)12-6-8-13(20)9-7-12/h2-10,17,26H,1H3,(H2,21,22,23,24,25)
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n/an/an/a 6.00E+3n/an/an/an/a25



Ambit Biosciences Corporation

US Patent


Assay Description
For the binding assays, streptavidin-coated magnetic beads were treated with biotinylated affinity ligands for 30 min at room temperature to generate...


US Patent US9295672 (2016)


BindingDB Entry DOI: 10.7270/Q2ZP44ZX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM214688
PNG
(US9295672, (4-fluorophenyl)(4-((5-methyl-1H-pyraz...)
Show SMILES Cc1cc(Nc2nc(nc3ccccc23)C(O)c2ccc(F)cc2)n[nH]1
Show InChI InChI=1/C19H16FN5O/c1-11-10-16(25-24-11)22-18-14-4-2-3-5-15(14)21-19(23-18)17(26)12-6-8-13(20)9-7-12/h2-10,17,26H,1H3,(H2,21,22,23,24,25)
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n/an/an/a 300n/an/an/an/a25



Ambit Biosciences Corporation

US Patent


Assay Description
For the binding assays, streptavidin-coated magnetic beads were treated with biotinylated affinity ligands for 30 min at room temperature to generate...


US Patent US9295672 (2016)


BindingDB Entry DOI: 10.7270/Q2ZP44ZX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM214688
PNG
(US9295672, (4-fluorophenyl)(4-((5-methyl-1H-pyraz...)
Show SMILES Cc1cc(Nc2nc(nc3ccccc23)C(O)c2ccc(F)cc2)n[nH]1
Show InChI InChI=1/C19H16FN5O/c1-11-10-16(25-24-11)22-18-14-4-2-3-5-15(14)21-19(23-18)17(26)12-6-8-13(20)9-7-12/h2-10,17,26H,1H3,(H2,21,22,23,24,25)
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n/an/an/a 1.05E+4n/an/an/an/a25



Ambit Biosciences Corporation

US Patent


Assay Description
For the binding assays, streptavidin-coated magnetic beads were treated with biotinylated affinity ligands for 30 min at room temperature to generate...


US Patent US9295672 (2016)


BindingDB Entry DOI: 10.7270/Q2ZP44ZX
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM214688
PNG
(US9295672, (4-fluorophenyl)(4-((5-methyl-1H-pyraz...)
Show SMILES Cc1cc(Nc2nc(nc3ccccc23)C(O)c2ccc(F)cc2)n[nH]1
Show InChI InChI=1/C19H16FN5O/c1-11-10-16(25-24-11)22-18-14-4-2-3-5-15(14)21-19(23-18)17(26)12-6-8-13(20)9-7-12/h2-10,17,26H,1H3,(H2,21,22,23,24,25)
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n/an/an/a 1.80E+3n/an/an/an/a25



Ambit Biosciences Corporation

US Patent


Assay Description
For the binding assays, streptavidin-coated magnetic beads were treated with biotinylated affinity ligands for 30 min at room temperature to generate...


US Patent US9295672 (2016)


BindingDB Entry DOI: 10.7270/Q2ZP44ZX
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM214688
PNG
(US9295672, (4-fluorophenyl)(4-((5-methyl-1H-pyraz...)
Show SMILES Cc1cc(Nc2nc(nc3ccccc23)C(O)c2ccc(F)cc2)n[nH]1
Show InChI InChI=1/C19H16FN5O/c1-11-10-16(25-24-11)22-18-14-4-2-3-5-15(14)21-19(23-18)17(26)12-6-8-13(20)9-7-12/h2-10,17,26H,1H3,(H2,21,22,23,24,25)
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n/an/a<310n/an/an/an/an/a37



Ambit Biosciences Corporation

US Patent


Assay Description
The ability of the R and S enantiomers of (4-fluorophenyl)(4-((5-methyl-1H-pyrazol-3-yl)amino)quinazolin-2-yl)methanol to inhibit the common drug met...


US Patent US9295672 (2016)


BindingDB Entry DOI: 10.7270/Q2ZP44ZX
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM214688
PNG
(US9295672, (4-fluorophenyl)(4-((5-methyl-1H-pyraz...)
Show SMILES Cc1cc(Nc2nc(nc3ccccc23)C(O)c2ccc(F)cc2)n[nH]1
Show InChI InChI=1/C19H16FN5O/c1-11-10-16(25-24-11)22-18-14-4-2-3-5-15(14)21-19(23-18)17(26)12-6-8-13(20)9-7-12/h2-10,17,26H,1H3,(H2,21,22,23,24,25)
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n/an/a 1.09E+4n/an/an/an/an/a37



Ambit Biosciences Corporation

US Patent


Assay Description
The ability of the R and S enantiomers of (4-fluorophenyl)(4-((5-methyl-1H-pyrazol-3-yl)amino)quinazolin-2-yl)methanol to inhibit the common drug met...


US Patent US9295672 (2016)


BindingDB Entry DOI: 10.7270/Q2ZP44ZX
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))
BDBM214688
PNG
(US9295672, (4-fluorophenyl)(4-((5-methyl-1H-pyraz...)
Show SMILES Cc1cc(Nc2nc(nc3ccccc23)C(O)c2ccc(F)cc2)n[nH]1
Show InChI InChI=1/C19H16FN5O/c1-11-10-16(25-24-11)22-18-14-4-2-3-5-15(14)21-19(23-18)17(26)12-6-8-13(20)9-7-12/h2-10,17,26H,1H3,(H2,21,22,23,24,25)
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n/an/a 2.31E+4n/an/an/an/an/a37



Ambit Biosciences Corporation

US Patent


Assay Description
The ability of the R and S enantiomers of (4-fluorophenyl)(4-((5-methyl-1H-pyrazol-3-yl)amino)quinazolin-2-yl)methanol to inhibit the common drug met...


US Patent US9295672 (2016)


BindingDB Entry DOI: 10.7270/Q2ZP44ZX
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM214688
PNG
(US9295672, (4-fluorophenyl)(4-((5-methyl-1H-pyraz...)
Show SMILES Cc1cc(Nc2nc(nc3ccccc23)C(O)c2ccc(F)cc2)n[nH]1
Show InChI InChI=1/C19H16FN5O/c1-11-10-16(25-24-11)22-18-14-4-2-3-5-15(14)21-19(23-18)17(26)12-6-8-13(20)9-7-12/h2-10,17,26H,1H3,(H2,21,22,23,24,25)
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n/an/a 1.74E+4n/an/an/an/an/a37



Ambit Biosciences Corporation

US Patent


Assay Description
The ability of the R and S enantiomers of (4-fluorophenyl)(4-((5-methyl-1H-pyrazol-3-yl)amino)quinazolin-2-yl)methanol to inhibit the common drug met...


US Patent US9295672 (2016)


BindingDB Entry DOI: 10.7270/Q2ZP44ZX
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM214688
PNG
(US9295672, (4-fluorophenyl)(4-((5-methyl-1H-pyraz...)
Show SMILES Cc1cc(Nc2nc(nc3ccccc23)C(O)c2ccc(F)cc2)n[nH]1
Show InChI InChI=1/C19H16FN5O/c1-11-10-16(25-24-11)22-18-14-4-2-3-5-15(14)21-19(23-18)17(26)12-6-8-13(20)9-7-12/h2-10,17,26H,1H3,(H2,21,22,23,24,25)
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n/an/a 1.47E+4n/an/an/an/an/a37



Ambit Biosciences Corporation

US Patent


Assay Description
The ability of the R and S enantiomers of (4-fluorophenyl)(4-((5-methyl-1H-pyrazol-3-yl)amino)quinazolin-2-yl)methanol to inhibit the common drug met...


US Patent US9295672 (2016)


BindingDB Entry DOI: 10.7270/Q2ZP44ZX
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM214688
PNG
(US9295672, (4-fluorophenyl)(4-((5-methyl-1H-pyraz...)
Show SMILES Cc1cc(Nc2nc(nc3ccccc23)C(O)c2ccc(F)cc2)n[nH]1
Show InChI InChI=1/C19H16FN5O/c1-11-10-16(25-24-11)22-18-14-4-2-3-5-15(14)21-19(23-18)17(26)12-6-8-13(20)9-7-12/h2-10,17,26H,1H3,(H2,21,22,23,24,25)
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UniChem
US Patent
n/an/a>4.00E+4n/an/an/an/an/a37



Ambit Biosciences Corporation

US Patent


Assay Description
The ability of the R and S enantiomers of (4-fluorophenyl)(4-((5-methyl-1H-pyrazol-3-yl)amino)quinazolin-2-yl)methanol to inhibit the common drug met...


US Patent US9295672 (2016)


BindingDB Entry DOI: 10.7270/Q2ZP44ZX
More data for this
Ligand-Target Pair
Cytochrome P450 2B6


(Homo sapiens (Human))
BDBM214688
PNG
(US9295672, (4-fluorophenyl)(4-((5-methyl-1H-pyraz...)
Show SMILES Cc1cc(Nc2nc(nc3ccccc23)C(O)c2ccc(F)cc2)n[nH]1
Show InChI InChI=1/C19H16FN5O/c1-11-10-16(25-24-11)22-18-14-4-2-3-5-15(14)21-19(23-18)17(26)12-6-8-13(20)9-7-12/h2-10,17,26H,1H3,(H2,21,22,23,24,25)
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n/an/a>4.00E+4n/an/an/an/an/a37



Ambit Biosciences Corporation

US Patent


Assay Description
The ability of the R and S enantiomers of (4-fluorophenyl)(4-((5-methyl-1H-pyrazol-3-yl)amino)quinazolin-2-yl)methanol to inhibit the common drug met...


US Patent US9295672 (2016)


BindingDB Entry DOI: 10.7270/Q2ZP44ZX
More data for this
Ligand-Target Pair