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BDBM357013 5-Phenyl-N-(pyridin-2-ylmethyl)-2-(pyrimidin-5-yl)quinazolin-4-amine::US10214511, Example 1

SMILES: Oc1nc(nc2cccc(-c3ccccc3)c12)-c1cncnc1.C(Nc1nc(nc2cccc(-c3ccccc3)c12)-c1cncnc1)c1ccccn1

InChI Key: InChIKey=UVJHJIXYGIZLLF-UHFFFAOYSA-N

Data: 19 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 19 hits for monomerid = 357013   
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
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM357013
PNG
(5-Phenyl-N-(pyridin-2-ylmethyl)-2-(pyrimidin-5-yl)...)
Show SMILES Oc1nc(nc2cccc(-c3ccccc3)c12)-c1cncnc1.C(Nc1nc(nc2cccc(-c3ccccc3)c12)-c1cncnc1)c1ccccn1
Show InChI InChI=1S/C24H18N6/c1-2-7-17(8-3-1)20-10-6-11-21-22(20)24(28-15-19-9-4-5-12-27-19)30-23(29-21)18-13-25-16-26-14-18/h1-14,16H,15H2,(H,28,29,30)
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n/an/a 5.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The analyses were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and subst...


US Patent US10214511 (2019)


BindingDB Entry DOI: 10.7270/Q29Z975M
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM357013
PNG
(5-Phenyl-N-(pyridin-2-ylmethyl)-2-(pyrimidin-5-yl)...)
Show SMILES Oc1nc(nc2cccc(-c3ccccc3)c12)-c1cncnc1.C(Nc1nc(nc2cccc(-c3ccccc3)c12)-c1cncnc1)c1ccccn1
Show InChI InChI=1S/C24H18N6/c1-2-7-17(8-3-1)20-10-6-11-21-22(20)24(28-15-19-9-4-5-12-27-19)30-23(29-21)18-13-25-16-26-14-18/h1-14,16H,15H2,(H,28,29,30)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The analyses were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and subst...


US Patent US10214511 (2019)


BindingDB Entry DOI: 10.7270/Q29Z975M
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM357013
PNG
(5-Phenyl-N-(pyridin-2-ylmethyl)-2-(pyrimidin-5-yl)...)
Show SMILES Oc1nc(nc2cccc(-c3ccccc3)c12)-c1cncnc1.C(Nc1nc(nc2cccc(-c3ccccc3)c12)-c1cncnc1)c1ccccn1
Show InChI InChI=1S/C24H18N6/c1-2-7-17(8-3-1)20-10-6-11-21-22(20)24(28-15-19-9-4-5-12-27-19)30-23(29-21)18-13-25-16-26-14-18/h1-14,16H,15H2,(H,28,29,30)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The analyses were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and subst...


US Patent US10214511 (2019)


BindingDB Entry DOI: 10.7270/Q29Z975M
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1


(Homo sapiens (Human))
BDBM357013
PNG
(5-Phenyl-N-(pyridin-2-ylmethyl)-2-(pyrimidin-5-yl)...)
Show SMILES Oc1nc(nc2cccc(-c3ccccc3)c12)-c1cncnc1.C(Nc1nc(nc2cccc(-c3ccccc3)c12)-c1cncnc1)c1ccccn1
Show InChI InChI=1S/C24H18N6/c1-2-7-17(8-3-1)20-10-6-11-21-22(20)24(28-15-19-9-4-5-12-27-19)30-23(29-21)18-13-25-16-26-14-18/h1-14,16H,15H2,(H,28,29,30)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The analyses were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and subst...


US Patent US10214511 (2019)


BindingDB Entry DOI: 10.7270/Q29Z975M
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM357013
PNG
(5-Phenyl-N-(pyridin-2-ylmethyl)-2-(pyrimidin-5-yl)...)
Show SMILES Oc1nc(nc2cccc(-c3ccccc3)c12)-c1cncnc1.C(Nc1nc(nc2cccc(-c3ccccc3)c12)-c1cncnc1)c1ccccn1
Show InChI InChI=1S/C24H18N6/c1-2-7-17(8-3-1)20-10-6-11-21-22(20)24(28-15-19-9-4-5-12-27-19)30-23(29-21)18-13-25-16-26-14-18/h1-14,16H,15H2,(H,28,29,30)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The analyses were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and subst...


US Patent US10214511 (2019)


BindingDB Entry DOI: 10.7270/Q29Z975M
More data for this
Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX


(Homo sapiens (Human))
BDBM357013
PNG
(5-Phenyl-N-(pyridin-2-ylmethyl)-2-(pyrimidin-5-yl)...)
Show SMILES Oc1nc(nc2cccc(-c3ccccc3)c12)-c1cncnc1.C(Nc1nc(nc2cccc(-c3ccccc3)c12)-c1cncnc1)c1ccccn1
Show InChI InChI=1S/C24H18N6/c1-2-7-17(8-3-1)20-10-6-11-21-22(20)24(28-15-19-9-4-5-12-27-19)30-23(29-21)18-13-25-16-26-14-18/h1-14,16H,15H2,(H,28,29,30)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The analyses were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and subst...


US Patent US10214511 (2019)


BindingDB Entry DOI: 10.7270/Q29Z975M
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM357013
PNG
(5-Phenyl-N-(pyridin-2-ylmethyl)-2-(pyrimidin-5-yl)...)
Show SMILES Oc1nc(nc2cccc(-c3ccccc3)c12)-c1cncnc1.C(Nc1nc(nc2cccc(-c3ccccc3)c12)-c1cncnc1)c1ccccn1
Show InChI InChI=1S/C24H18N6/c1-2-7-17(8-3-1)20-10-6-11-21-22(20)24(28-15-19-9-4-5-12-27-19)30-23(29-21)18-13-25-16-26-14-18/h1-14,16H,15H2,(H,28,29,30)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The analyses were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and subst...


US Patent US10214511 (2019)


BindingDB Entry DOI: 10.7270/Q29Z975M
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM357013
PNG
(5-Phenyl-N-(pyridin-2-ylmethyl)-2-(pyrimidin-5-yl)...)
Show SMILES Oc1nc(nc2cccc(-c3ccccc3)c12)-c1cncnc1.C(Nc1nc(nc2cccc(-c3ccccc3)c12)-c1cncnc1)c1ccccn1
Show InChI InChI=1S/C24H18N6/c1-2-7-17(8-3-1)20-10-6-11-21-22(20)24(28-15-19-9-4-5-12-27-19)30-23(29-21)18-13-25-16-26-14-18/h1-14,16H,15H2,(H,28,29,30)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The analyses were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and subst...


US Patent US10214511 (2019)


BindingDB Entry DOI: 10.7270/Q29Z975M
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1


(Homo sapiens (Human))
BDBM357013
PNG
(5-Phenyl-N-(pyridin-2-ylmethyl)-2-(pyrimidin-5-yl)...)
Show SMILES Oc1nc(nc2cccc(-c3ccccc3)c12)-c1cncnc1.C(Nc1nc(nc2cccc(-c3ccccc3)c12)-c1cncnc1)c1ccccn1
Show InChI InChI=1S/C24H18N6/c1-2-7-17(8-3-1)20-10-6-11-21-22(20)24(28-15-19-9-4-5-12-27-19)30-23(29-21)18-13-25-16-26-14-18/h1-14,16H,15H2,(H,28,29,30)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The analyses were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and subst...


US Patent US10214511 (2019)


BindingDB Entry DOI: 10.7270/Q29Z975M
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM357013
PNG
(5-Phenyl-N-(pyridin-2-ylmethyl)-2-(pyrimidin-5-yl)...)
Show SMILES Oc1nc(nc2cccc(-c3ccccc3)c12)-c1cncnc1.C(Nc1nc(nc2cccc(-c3ccccc3)c12)-c1cncnc1)c1ccccn1
Show InChI InChI=1S/C24H18N6/c1-2-7-17(8-3-1)20-10-6-11-21-22(20)24(28-15-19-9-4-5-12-27-19)30-23(29-21)18-13-25-16-26-14-18/h1-14,16H,15H2,(H,28,29,30)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The analyses were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and subst...


US Patent US10214511 (2019)


BindingDB Entry DOI: 10.7270/Q29Z975M
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM357013
PNG
(5-Phenyl-N-(pyridin-2-ylmethyl)-2-(pyrimidin-5-yl)...)
Show SMILES Oc1nc(nc2cccc(-c3ccccc3)c12)-c1cncnc1.C(Nc1nc(nc2cccc(-c3ccccc3)c12)-c1cncnc1)c1ccccn1
Show InChI InChI=1S/C24H18N6/c1-2-7-17(8-3-1)20-10-6-11-21-22(20)24(28-15-19-9-4-5-12-27-19)30-23(29-21)18-13-25-16-26-14-18/h1-14,16H,15H2,(H,28,29,30)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The analyses were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and subst...


US Patent US10214511 (2019)


BindingDB Entry DOI: 10.7270/Q29Z975M
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM357013
PNG
(5-Phenyl-N-(pyridin-2-ylmethyl)-2-(pyrimidin-5-yl)...)
Show SMILES Oc1nc(nc2cccc(-c3ccccc3)c12)-c1cncnc1.C(Nc1nc(nc2cccc(-c3ccccc3)c12)-c1cncnc1)c1ccccn1
Show InChI InChI=1S/C24H18N6/c1-2-7-17(8-3-1)20-10-6-11-21-22(20)24(28-15-19-9-4-5-12-27-19)30-23(29-21)18-13-25-16-26-14-18/h1-14,16H,15H2,(H,28,29,30)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The analyses were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and subst...


US Patent US10214511 (2019)


BindingDB Entry DOI: 10.7270/Q29Z975M
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM357013
PNG
(5-Phenyl-N-(pyridin-2-ylmethyl)-2-(pyrimidin-5-yl)...)
Show SMILES Oc1nc(nc2cccc(-c3ccccc3)c12)-c1cncnc1.C(Nc1nc(nc2cccc(-c3ccccc3)c12)-c1cncnc1)c1ccccn1
Show InChI InChI=1S/C24H18N6/c1-2-7-17(8-3-1)20-10-6-11-21-22(20)24(28-15-19-9-4-5-12-27-19)30-23(29-21)18-13-25-16-26-14-18/h1-14,16H,15H2,(H,28,29,30)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The analyses were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and subst...


US Patent US10214511 (2019)


BindingDB Entry DOI: 10.7270/Q29Z975M
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))
BDBM357013
PNG
(5-Phenyl-N-(pyridin-2-ylmethyl)-2-(pyrimidin-5-yl)...)
Show SMILES Oc1nc(nc2cccc(-c3ccccc3)c12)-c1cncnc1.C(Nc1nc(nc2cccc(-c3ccccc3)c12)-c1cncnc1)c1ccccn1
Show InChI InChI=1S/C24H18N6/c1-2-7-17(8-3-1)20-10-6-11-21-22(20)24(28-15-19-9-4-5-12-27-19)30-23(29-21)18-13-25-16-26-14-18/h1-14,16H,15H2,(H,28,29,30)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The analyses were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and subst...


US Patent US10214511 (2019)


BindingDB Entry DOI: 10.7270/Q29Z975M
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 2 group C member 2


(Homo sapiens (Human))
BDBM357013
PNG
(5-Phenyl-N-(pyridin-2-ylmethyl)-2-(pyrimidin-5-yl)...)
Show SMILES Oc1nc(nc2cccc(-c3ccccc3)c12)-c1cncnc1.C(Nc1nc(nc2cccc(-c3ccccc3)c12)-c1cncnc1)c1ccccn1
Show InChI InChI=1S/C24H18N6/c1-2-7-17(8-3-1)20-10-6-11-21-22(20)24(28-15-19-9-4-5-12-27-19)30-23(29-21)18-13-25-16-26-14-18/h1-14,16H,15H2,(H,28,29,30)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The analyses were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and subst...


US Patent US10214511 (2019)


BindingDB Entry DOI: 10.7270/Q29Z975M
More data for this
Ligand-Target Pair
Protein cereblon/Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM357013
PNG
(5-Phenyl-N-(pyridin-2-ylmethyl)-2-(pyrimidin-5-yl)...)
Show SMILES Oc1nc(nc2cccc(-c3ccccc3)c12)-c1cncnc1.C(Nc1nc(nc2cccc(-c3ccccc3)c12)-c1cncnc1)c1ccccn1
Show InChI InChI=1S/C24H18N6/c1-2-7-17(8-3-1)20-10-6-11-21-22(20)24(28-15-19-9-4-5-12-27-19)30-23(29-21)18-13-25-16-26-14-18/h1-14,16H,15H2,(H,28,29,30)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The analyses were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and subst...


US Patent US10214511 (2019)


BindingDB Entry DOI: 10.7270/Q29Z975M
More data for this
Ligand-Target Pair
Tyrosine-protein kinase TEC


(Homo sapiens (Human))
BDBM357013
PNG
(5-Phenyl-N-(pyridin-2-ylmethyl)-2-(pyrimidin-5-yl)...)
Show SMILES Oc1nc(nc2cccc(-c3ccccc3)c12)-c1cncnc1.C(Nc1nc(nc2cccc(-c3ccccc3)c12)-c1cncnc1)c1ccccn1
Show InChI InChI=1S/C24H18N6/c1-2-7-17(8-3-1)20-10-6-11-21-22(20)24(28-15-19-9-4-5-12-27-19)30-23(29-21)18-13-25-16-26-14-18/h1-14,16H,15H2,(H,28,29,30)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The analyses were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and subst...


US Patent US10214511 (2019)


BindingDB Entry DOI: 10.7270/Q29Z975M
More data for this
Ligand-Target Pair
Tyrosine-protein kinase TXK


(Homo sapiens (Human))
BDBM357013
PNG
(5-Phenyl-N-(pyridin-2-ylmethyl)-2-(pyrimidin-5-yl)...)
Show SMILES Oc1nc(nc2cccc(-c3ccccc3)c12)-c1cncnc1.C(Nc1nc(nc2cccc(-c3ccccc3)c12)-c1cncnc1)c1ccccn1
Show InChI InChI=1S/C24H18N6/c1-2-7-17(8-3-1)20-10-6-11-21-22(20)24(28-15-19-9-4-5-12-27-19)30-23(29-21)18-13-25-16-26-14-18/h1-14,16H,15H2,(H,28,29,30)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The analyses were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and subst...


US Patent US10214511 (2019)


BindingDB Entry DOI: 10.7270/Q29Z975M
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM357013
PNG
(5-Phenyl-N-(pyridin-2-ylmethyl)-2-(pyrimidin-5-yl)...)
Show SMILES Oc1nc(nc2cccc(-c3ccccc3)c12)-c1cncnc1.C(Nc1nc(nc2cccc(-c3ccccc3)c12)-c1cncnc1)c1ccccn1
Show InChI InChI=1S/C24H18N6/c1-2-7-17(8-3-1)20-10-6-11-21-22(20)24(28-15-19-9-4-5-12-27-19)30-23(29-21)18-13-25-16-26-14-18/h1-14,16H,15H2,(H,28,29,30)
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US Patent
n/an/a 5.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The analyses were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and subst...


US Patent US10214511 (2019)


BindingDB Entry DOI: 10.7270/Q29Z975M
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Ligand-Target Pair