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Compile Data Set for Download or QSAR

Found 168 hits with Last Name = 'berezhkovskiy' and Initial = 'l'   
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
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM312809
PNG
(1-[3-[2-[(3R)-3-hydroxy-1- methyl-2-oxo-pyrrolidin...)
Show SMILES COc1ccc2c(nc(C(N)=O)n2c1)-c1cccc(c1)C#C[C@]1(O)CCN(C)C1=O |r|
Show InChI InChI=1S/C22H20N4O4/c1-25-11-10-22(29,21(25)28)9-8-14-4-3-5-15(12-14)18-17-7-6-16(30-2)13-26(17)20(24-18)19(23)27/h3-7,12-13,29H,10-11H2,1-2H3,(H2,23,27)/t22-/m0/s1
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0.0500n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of NIK (unknown origin) expressed in baculovirus infected insect cells assessed as reduction in hydrolysis of ATP to ADP after 1 to 2 hrs ...


J Med Chem 61: 6801-6813 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00678
BindingDB Entry DOI: 10.7270/Q2PV6P00
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM50457816
PNG
(CHEMBL4215425)
Show SMILES CN1CC[C@@](O)(C#Cc2cccc(c2)-c2cc3ccccc3c(n2)C(N)=O)C1=O |r|
Show InChI InChI=1S/C23H19N3O3/c1-26-12-11-23(29,22(26)28)10-9-15-5-4-7-17(13-15)19-14-16-6-2-3-8-18(16)20(25-19)21(24)27/h2-8,13-14,29H,11-12H2,1H3,(H2,24,27)/t23-/m0/s1
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0.0700n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of NIK (unknown origin) expressed in baculovirus infected insect cells assessed as reduction in hydrolysis of ATP to ADP after 1 to 2 hrs ...


J Med Chem 61: 6801-6813 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00678
BindingDB Entry DOI: 10.7270/Q2PV6P00
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM50457820
PNG
(CHEMBL4216289)
Show SMILES CN1CC[C@@](O)(C#Cc2cccc(c2)-c2ccc(N)c(n2)C(N)=O)C1=O |r|
Show InChI InChI=1S/C19H18N4O3/c1-23-10-9-19(26,18(23)25)8-7-12-3-2-4-13(11-12)15-6-5-14(20)16(22-15)17(21)24/h2-6,11,26H,9-10,20H2,1H3,(H2,21,24)/t19-/m0/s1
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0.0700n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of NIK (unknown origin) expressed in baculovirus infected insect cells assessed as reduction in hydrolysis of ATP to ADP after 1 to 2 hrs ...


J Med Chem 61: 6801-6813 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00678
BindingDB Entry DOI: 10.7270/Q2PV6P00
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM312763
PNG
(1-[4-[2-[(3R)-3-hydroxy-1- methyl-2-oxo-pyrrolidin...)
Show SMILES CN1CC[C@@](O)(C#Cc2ccnc(c2)-n2nc(C(N)=O)c3ccccc23)C1=O |r|
Show InChI InChI=1S/C20H17N5O3/c1-24-11-9-20(28,19(24)27)8-6-13-7-10-22-16(12-13)25-15-5-3-2-4-14(15)17(23-25)18(21)26/h2-5,7,10,12,28H,9,11H2,1H3,(H2,21,26)/t20-/m0/s1
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0.0800n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of NIK (unknown origin) expressed in baculovirus infected insect cells assessed as reduction in hydrolysis of ATP to ADP after 1 to 2 hrs ...


J Med Chem 61: 6801-6813 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00678
BindingDB Entry DOI: 10.7270/Q2PV6P00
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM312785
PNG
(1-[3-[2-[(3R)-3-hydroxy-1- methyl-2-oxo-pyrrolidin...)
Show SMILES COc1cnc2n(nc(C(N)=O)c2c1)-c1cccc(c1)C#C[C@]1(O)CCN(C)C1=O |r|
Show InChI InChI=1S/C21H19N5O4/c1-25-9-8-21(29,20(25)28)7-6-13-4-3-5-14(10-13)26-19-16(17(24-26)18(22)27)11-15(30-2)12-23-19/h3-5,10-12,29H,8-9H2,1-2H3,(H2,22,27)/t21-/m0/s1
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0.130n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of NIK (unknown origin) expressed in baculovirus infected insect cells assessed as reduction in hydrolysis of ATP to ADP after 1 to 2 hrs ...


J Med Chem 61: 6801-6813 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00678
BindingDB Entry DOI: 10.7270/Q2PV6P00
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM312765
PNG
(5-fluoro-1-[4-[2-[(3R)-3-hy- droxy-1-methyl-2-oxo-...)
Show SMILES CN1CC[C@@](O)(C#Cc2ccnc(c2)-n2nc(C(N)=O)c3cc(F)ccc23)C1=O |r|
Show InChI InChI=1S/C20H16FN5O3/c1-25-9-7-20(29,19(25)28)6-4-12-5-8-23-16(10-12)26-15-3-2-13(21)11-14(15)17(24-26)18(22)27/h2-3,5,8,10-11,29H,7,9H2,1H3,(H2,22,27)/t20-/m0/s1
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0.170n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of NIK (unknown origin) expressed in baculovirus infected insect cells assessed as reduction in hydrolysis of ATP to ADP after 1 to 2 hrs ...


J Med Chem 61: 6801-6813 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00678
BindingDB Entry DOI: 10.7270/Q2PV6P00
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM312788
PNG
(1-[3-[2-[(3R)-3-hydroxy-1- methyl-2-oxo-pyrrolidin...)
Show SMILES CN1CC[C@@](O)(C#Cc2cccc(c2)-c2nc(C(N)=O)n3ccccc23)C1=O |r|
Show InChI InChI=1S/C21H18N4O3/c1-24-12-10-21(28,20(24)27)9-8-14-5-4-6-15(13-14)17-16-7-2-3-11-25(16)19(23-17)18(22)26/h2-7,11,13,28H,10,12H2,1H3,(H2,22,26)/t21-/m0/s1
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0.180n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of NIK (unknown origin) expressed in baculovirus infected insect cells assessed as reduction in hydrolysis of ATP to ADP after 1 to 2 hrs ...


J Med Chem 61: 6801-6813 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00678
BindingDB Entry DOI: 10.7270/Q2PV6P00
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM312711
PNG
(1-[3-[2-[(3R)-3-hydroxy-1- methyl-2-oxo-pyrrolidin...)
Show SMILES CN1CC[C@@](O)(C#Cc2cccc(c2)-n2nc(C(N)=O)c3ccccc23)C1=O |r|
Show InChI InChI=1S/C21H18N4O3/c1-24-12-11-21(28,20(24)27)10-9-14-5-4-6-15(13-14)25-17-8-3-2-7-16(17)18(23-25)19(22)26/h2-8,13,28H,11-12H2,1H3,(H2,22,26)/t21-/m0/s1
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0.230n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of NIK (unknown origin) expressed in baculovirus infected insect cells assessed as reduction in hydrolysis of ATP to ADP after 1 to 2 hrs ...


J Med Chem 61: 6801-6813 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00678
BindingDB Entry DOI: 10.7270/Q2PV6P00
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM50457815
PNG
(CHEMBL4211840)
Show SMILES COc1cc(nc(c1)-c1cccc(c1)C#C[C@]1(O)CCN(C)C1=O)C(N)=O |r|
Show InChI InChI=1S/C20H19N3O4/c1-23-9-8-20(26,19(23)25)7-6-13-4-3-5-14(10-13)16-11-15(27-2)12-17(22-16)18(21)24/h3-5,10-12,26H,8-9H2,1-2H3,(H2,21,24)/t20-/m0/s1
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0.230n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of NIK (unknown origin) expressed in baculovirus infected insect cells assessed as reduction in hydrolysis of ATP to ADP after 1 to 2 hrs ...


J Med Chem 61: 6801-6813 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00678
BindingDB Entry DOI: 10.7270/Q2PV6P00
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM312764
PNG
(1-[3-[2-[(3R)-3-hydroxy-1- methyl-2-oxo-pyrrolidin...)
Show SMILES CN1CC[C@@](O)(C#Cc2cccc(c2)-n2nc(C(N)=O)c3cccnc23)C1=O |r|
Show InChI InChI=1S/C20H17N5O3/c1-24-11-9-20(28,19(24)27)8-7-13-4-2-5-14(12-13)25-18-15(6-3-10-22-18)16(23-25)17(21)26/h2-6,10,12,28H,9,11H2,1H3,(H2,21,26)/t20-/m0/s1
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0.230n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of NIK (unknown origin) expressed in baculovirus infected insect cells assessed as reduction in hydrolysis of ATP to ADP after 1 to 2 hrs ...


J Med Chem 61: 6801-6813 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00678
BindingDB Entry DOI: 10.7270/Q2PV6P00
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM312723
PNG
(5-fluoro-1-[3-[2-[(3R)-3-hy- droxy-1-methyl-2-oxo-...)
Show SMILES CN1CC[C@@](O)(C#Cc2cccc(c2)-n2nc(C(N)=O)c3cc(F)ccc23)C1=O |r|
Show InChI InChI=1S/C21H17FN4O3/c1-25-10-9-21(29,20(25)28)8-7-13-3-2-4-15(11-13)26-17-6-5-14(22)12-16(17)18(24-26)19(23)27/h2-6,11-12,29H,9-10H2,1H3,(H2,23,27)/t21-/m0/s1
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0.270n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of NIK (unknown origin) expressed in baculovirus infected insect cells assessed as reduction in hydrolysis of ATP to ADP after 1 to 2 hrs ...


J Med Chem 61: 6801-6813 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00678
BindingDB Entry DOI: 10.7270/Q2PV6P00
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM50457818
PNG
(CHEMBL4211560)
Show SMILES CN1CC[C@@](O)(C#Cc2cccc(c2)-c2cccc(n2)C(N)=O)C1=O |r|
Show InChI InChI=1S/C19H17N3O3/c1-22-11-10-19(25,18(22)24)9-8-13-4-2-5-14(12-13)15-6-3-7-16(21-15)17(20)23/h2-7,12,25H,10-11H2,1H3,(H2,20,23)/t19-/m0/s1
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0.420n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of NIK (unknown origin) expressed in baculovirus infected insect cells assessed as reduction in hydrolysis of ATP to ADP after 1 to 2 hrs ...


J Med Chem 61: 6801-6813 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00678
BindingDB Entry DOI: 10.7270/Q2PV6P00
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM50457817
PNG
(CHEMBL4214032)
Show SMILES COc1cc(nc(n1)-c1cccc(c1)C#C[C@]1(O)CCN(C)C1=O)C(N)=O |r|
Show InChI InChI=1S/C19H18N4O4/c1-23-9-8-19(26,18(23)25)7-6-12-4-3-5-13(10-12)17-21-14(16(20)24)11-15(22-17)27-2/h3-5,10-11,26H,8-9H2,1-2H3,(H2,20,24)/t19-/m0/s1
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0.590n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of NIK (unknown origin) expressed in baculovirus infected insect cells assessed as reduction in hydrolysis of ATP to ADP after 1 to 2 hrs ...


J Med Chem 61: 6801-6813 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00678
BindingDB Entry DOI: 10.7270/Q2PV6P00
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM312762
PNG
(1-[4-[2-[(3R)-3-hydroxy-1- methyl-2-oxo-pyrrolidin...)
Show SMILES CN1CC[C@@](O)(C#Cc2ccnc(c2)-n2nc(C(N)=O)c3CCCCc23)C1=O |r|
Show InChI InChI=1S/C20H21N5O3/c1-24-11-9-20(28,19(24)27)8-6-13-7-10-22-16(12-13)25-15-5-3-2-4-14(15)17(23-25)18(21)26/h7,10,12,28H,2-5,9,11H2,1H3,(H2,21,26)/t20-/m0/s1
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0.860n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of NIK (unknown origin) expressed in baculovirus infected insect cells assessed as reduction in hydrolysis of ATP to ADP after 1 to 2 hrs ...


J Med Chem 61: 6801-6813 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00678
BindingDB Entry DOI: 10.7270/Q2PV6P00
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM50457812
PNG
(CHEMBL4217923)
Show SMILES CN1CC[C@@](O)(C#Cc2cccc(c2)-c2cncc(n2)C(N)=O)C1=O |r|
Show InChI InChI=1S/C18H16N4O3/c1-22-8-7-18(25,17(22)24)6-5-12-3-2-4-13(9-12)14-10-20-11-15(21-14)16(19)23/h2-4,9-11,25H,7-8H2,1H3,(H2,19,23)/t18-/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of NIK (unknown origin) expressed in baculovirus infected insect cells assessed as reduction in hydrolysis of ATP to ADP after 1 to 2 hrs ...


J Med Chem 61: 6801-6813 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00678
BindingDB Entry DOI: 10.7270/Q2PV6P00
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM50457811
PNG
(CHEMBL4210461)
Show SMILES CN1CC[C@@](O)(C#Cc2cccc(c2)-c2ccnc(n2)C(N)=O)C1=O |r|
Show InChI InChI=1S/C18H16N4O3/c1-22-10-8-18(25,17(22)24)7-5-12-3-2-4-13(11-12)14-6-9-20-16(21-14)15(19)23/h2-4,6,9,11,25H,8,10H2,1H3,(H2,19,23)/t18-/m0/s1
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2n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of NIK (unknown origin) expressed in baculovirus infected insect cells assessed as reduction in hydrolysis of ATP to ADP after 1 to 2 hrs ...


J Med Chem 61: 6801-6813 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00678
BindingDB Entry DOI: 10.7270/Q2PV6P00
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM312799
PNG
(3-[3-[2-[(3R)-3-hydroxy-1- methyl-2-oxo-pyrrolidin...)
Show SMILES CN1CC[C@@](O)(C#Cc2cccc(c2)-c2nc(C(N)=O)c3ccccn23)C1=O |r|
Show InChI InChI=1S/C21H18N4O3/c1-24-12-10-21(28,20(24)27)9-8-14-5-4-6-15(13-14)19-23-17(18(22)26)16-7-2-3-11-25(16)19/h2-7,11,13,28H,10,12H2,1H3,(H2,22,26)/t21-/m0/s1
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4.70n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of NIK (unknown origin) expressed in baculovirus infected insect cells assessed as reduction in hydrolysis of ATP to ADP after 1 to 2 hrs ...


J Med Chem 61: 6801-6813 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00678
BindingDB Entry DOI: 10.7270/Q2PV6P00
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM50457813
PNG
(CHEMBL4210066)
Show SMILES CCOc1ccn2c(nc(C(N)=O)c2c1)-c1cccc(c1)C#C[C@]1(O)CCN(C)C1=O |r|
Show InChI InChI=1S/C23H22N4O4/c1-3-31-17-8-11-27-18(14-17)19(20(24)28)25-21(27)16-6-4-5-15(13-16)7-9-23(30)10-12-26(2)22(23)29/h4-6,8,11,13-14,30H,3,10,12H2,1-2H3,(H2,24,28)/t23-/m0/s1
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5.90n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of NIK (unknown origin) expressed in baculovirus infected insect cells assessed as reduction in hydrolysis of ATP to ADP after 1 to 2 hrs ...


J Med Chem 61: 6801-6813 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00678
BindingDB Entry DOI: 10.7270/Q2PV6P00
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM312794
PNG
(5-amino-1-[4-[2-[(3R)-3-hy- droxy-1-methyl-2-oxo-p...)
Show SMILES CN1CC[C@@](O)(C#Cc2ccnc(c2)-n2nc(cc2N)C(N)=O)C1=O |r|
Show InChI InChI=1S/C16H16N6O3/c1-21-7-5-16(25,15(21)24)4-2-10-3-6-19-13(8-10)22-12(17)9-11(20-22)14(18)23/h3,6,8-9,25H,5,7,17H2,1H3,(H2,18,23)/t16-/m0/s1
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9.40n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of NIK (unknown origin) expressed in baculovirus infected insect cells assessed as reduction in hydrolysis of ATP to ADP after 1 to 2 hrs ...


J Med Chem 61: 6801-6813 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00678
BindingDB Entry DOI: 10.7270/Q2PV6P00
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM312792
PNG
(5-cyclopropyl-1-[4-[2-[(3R)- 3-hydroxy-1-methyl-2-...)
Show SMILES CN1CC[C@@](O)(C#Cc2ccnc(c2)-n2nc(cc2C2CC2)C(N)=O)C1=O |r|
Show InChI InChI=1S/C19H19N5O3/c1-23-9-7-19(27,18(23)26)6-4-12-5-8-21-16(10-12)24-15(13-2-3-13)11-14(22-24)17(20)25/h5,8,10-11,13,27H,2-3,7,9H2,1H3,(H2,20,25)/t19-/m0/s1
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16n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of NIK (unknown origin) expressed in baculovirus infected insect cells assessed as reduction in hydrolysis of ATP to ADP after 1 to 2 hrs ...


J Med Chem 61: 6801-6813 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00678
BindingDB Entry DOI: 10.7270/Q2PV6P00
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50439017
PNG
(CHEMBL2420827)
Show SMILES Clc1cccc(Cl)c1C(=O)Nc1ccnc(Nc2ccncn2)c1
Show InChI InChI=1S/C16H11Cl2N5O/c17-11-2-1-3-12(18)15(11)16(24)22-10-4-7-20-14(8-10)23-13-5-6-19-9-21-13/h1-9H,(H2,19,20,21,22,23,24)
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20n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Eur J Med Chem 67: 175-87 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.070
BindingDB Entry DOI: 10.7270/Q2416ZGB
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM312766
PNG
(1-[4-[2-[(3R)-3-hydroxy-1- methyl-2-oxo-pyrrolidin...)
Show SMILES CN1CC[C@@](O)(C#Cc2ccnc(c2)-n2ccc(n2)C(N)=O)C1=O |r|
Show InChI InChI=1S/C16H15N5O3/c1-20-9-6-16(24,15(20)23)5-2-11-3-7-18-13(10-11)21-8-4-12(19-21)14(17)22/h3-4,7-8,10,24H,6,9H2,1H3,(H2,17,22)/t16-/m0/s1
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28n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of NIK (unknown origin) expressed in baculovirus infected insect cells assessed as reduction in hydrolysis of ATP to ADP after 1 to 2 hrs ...


J Med Chem 61: 6801-6813 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00678
BindingDB Entry DOI: 10.7270/Q2PV6P00
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50434821
PNG
(CHEMBL2387224)
Show SMILES Clc1cccc(Cl)c1C(=O)Nc1ccnc(NC(=O)C2CC2)c1
Show InChI InChI=1S/C16H13Cl2N3O2/c17-11-2-1-3-12(18)14(11)16(23)20-10-6-7-19-13(8-10)21-15(22)9-4-5-9/h1-3,6-9H,4-5H2,(H2,19,20,21,22,23)
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28n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Eur J Med Chem 67: 175-87 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.070
BindingDB Entry DOI: 10.7270/Q2416ZGB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50439014
PNG
(CHEMBL2420829)
Show SMILES CCn1cc(Nc2cc(NC(=O)c3c(Cl)cccc3Cl)ccn2)cn1
Show InChI InChI=1S/C17H15Cl2N5O/c1-2-24-10-12(9-21-24)22-15-8-11(6-7-20-15)23-17(25)16-13(18)4-3-5-14(16)19/h3-10H,2H2,1H3,(H2,20,22,23,25)
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35n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Eur J Med Chem 67: 175-87 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.070
BindingDB Entry DOI: 10.7270/Q2416ZGB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50439011
PNG
(CHEMBL2420826)
Show SMILES Clc1cccc(Cl)c1C(=O)Nc1ccnc(Nc2cnccn2)c1
Show InChI InChI=1S/C16H11Cl2N5O/c17-11-2-1-3-12(18)15(11)16(24)22-10-4-5-20-13(8-10)23-14-9-19-6-7-21-14/h1-9H,(H2,20,21,22,23,24)
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55n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Eur J Med Chem 67: 175-87 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.070
BindingDB Entry DOI: 10.7270/Q2416ZGB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50439018
PNG
(CHEMBL2420831)
Show SMILES Clc1cccc(Cl)c1C(=O)Nc1cc[nH]c(=O)c1
Show InChI InChI=1S/C12H8Cl2N2O2/c13-8-2-1-3-9(14)11(8)12(18)16-7-4-5-15-10(17)6-7/h1-6H,(H2,15,16,17,18)
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60n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Eur J Med Chem 67: 175-87 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.070
BindingDB Entry DOI: 10.7270/Q2416ZGB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50439006
PNG
(CHEMBL2420828)
Show SMILES Clc1cccc(Cl)c1C(=O)Nc1ccnc(Nc2cccnn2)c1
Show InChI InChI=1S/C16H11Cl2N5O/c17-11-3-1-4-12(18)15(11)16(24)21-10-6-8-19-14(9-10)22-13-5-2-7-20-23-13/h1-9H,(H2,19,21,22,23,24)
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63n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Eur J Med Chem 67: 175-87 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.070
BindingDB Entry DOI: 10.7270/Q2416ZGB
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM50457814
PNG
(CHEMBL4212983)
Show SMILES CN1CC[C@@](O)(C#Cc2cccc(c2)-c2cccc(c2)C(N)=O)C1=O |r|
Show InChI InChI=1S/C20H18N2O3/c1-22-11-10-20(25,19(22)24)9-8-14-4-2-5-15(12-14)16-6-3-7-17(13-16)18(21)23/h2-7,12-13,25H,10-11H2,1H3,(H2,21,23)/t20-/m0/s1
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68n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of NIK (unknown origin) expressed in baculovirus infected insect cells assessed as reduction in hydrolysis of ATP to ADP after 1 to 2 hrs ...


J Med Chem 61: 6801-6813 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00678
BindingDB Entry DOI: 10.7270/Q2PV6P00
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50439012
PNG
(CHEMBL2420812)
Show SMILES CCNC(=O)Nc1cc(NC(=O)c2c(Cl)cccc2Cl)ccn1
Show InChI InChI=1S/C15H14Cl2N4O2/c1-2-18-15(23)21-12-8-9(6-7-19-12)20-14(22)13-10(16)4-3-5-11(13)17/h3-8H,2H2,1H3,(H3,18,19,20,21,22,23)
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70n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Eur J Med Chem 67: 175-87 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.070
BindingDB Entry DOI: 10.7270/Q2416ZGB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50434821
PNG
(CHEMBL2387224)
Show SMILES Clc1cccc(Cl)c1C(=O)Nc1ccnc(NC(=O)C2CC2)c1
Show InChI InChI=1S/C16H13Cl2N3O2/c17-11-2-1-3-12(18)14(11)16(23)20-10-6-7-19-13(8-10)21-15(22)9-4-5-9/h1-3,6-9H,4-5H2,(H2,19,20,21,22,23)
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84n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin)


Eur J Med Chem 67: 175-87 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.070
BindingDB Entry DOI: 10.7270/Q2416ZGB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50439018
PNG
(CHEMBL2420831)
Show SMILES Clc1cccc(Cl)c1C(=O)Nc1cc[nH]c(=O)c1
Show InChI InChI=1S/C12H8Cl2N2O2/c13-8-2-1-3-9(14)11(8)12(18)16-7-4-5-15-10(17)6-7/h1-6H,(H2,15,16,17,18)
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100n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin)


Eur J Med Chem 67: 175-87 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.070
BindingDB Entry DOI: 10.7270/Q2416ZGB
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50434821
PNG
(CHEMBL2387224)
Show SMILES Clc1cccc(Cl)c1C(=O)Nc1ccnc(NC(=O)C2CC2)c1
Show InChI InChI=1S/C16H13Cl2N3O2/c17-11-2-1-3-12(18)14(11)16(23)20-10-6-7-19-13(8-10)21-15(22)9-4-5-9/h1-3,6-9H,4-5H2,(H2,19,20,21,22,23)
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111n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of CDK9 (unknown origin)


Eur J Med Chem 67: 175-87 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.070
BindingDB Entry DOI: 10.7270/Q2416ZGB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50439007
PNG
(CHEMBL2420824)
Show SMILES Clc1cccc(Cl)c1C(=O)Nc1ccnc(Nc2ccccn2)c1
Show InChI InChI=1S/C17H12Cl2N4O/c18-12-4-3-5-13(19)16(12)17(24)22-11-7-9-21-15(10-11)23-14-6-1-2-8-20-14/h1-10H,(H2,20,21,22,23,24)
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130n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Eur J Med Chem 67: 175-87 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.070
BindingDB Entry DOI: 10.7270/Q2416ZGB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50439017
PNG
(CHEMBL2420827)
Show SMILES Clc1cccc(Cl)c1C(=O)Nc1ccnc(Nc2ccncn2)c1
Show InChI InChI=1S/C16H11Cl2N5O/c17-11-2-1-3-12(18)15(11)16(24)22-10-4-7-20-14(8-10)23-13-5-6-19-9-21-13/h1-9H,(H2,19,20,21,22,23,24)
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200n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin)


Eur J Med Chem 67: 175-87 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.070
BindingDB Entry DOI: 10.7270/Q2416ZGB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50439005
PNG
(CHEMBL2420830)
Show SMILES Clc1cccc(Cl)c1C(=O)Nc1ccnc2[nH]ccc12
Show InChI InChI=1S/C14H9Cl2N3O/c15-9-2-1-3-10(16)12(9)14(20)19-11-5-7-18-13-8(11)4-6-17-13/h1-7H,(H2,17,18,19,20)
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230n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Eur J Med Chem 67: 175-87 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.070
BindingDB Entry DOI: 10.7270/Q2416ZGB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50439016
PNG
(CHEMBL2420832)
Show SMILES CCC(=O)Nc1cc(NC(=O)c2c(Cl)cccc2Cl)ccn1
Show InChI InChI=1S/C15H13Cl2N3O2/c1-2-13(21)20-12-8-9(6-7-18-12)19-15(22)14-10(16)4-3-5-11(14)17/h3-8H,2H2,1H3,(H2,18,19,20,21,22)
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250n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Eur J Med Chem 67: 175-87 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.070
BindingDB Entry DOI: 10.7270/Q2416ZGB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50434821
PNG
(CHEMBL2387224)
Show SMILES Clc1cccc(Cl)c1C(=O)Nc1ccnc(NC(=O)C2CC2)c1
Show InChI InChI=1S/C16H13Cl2N3O2/c17-11-2-1-3-12(18)14(11)16(23)20-10-6-7-19-13(8-10)21-15(22)9-4-5-9/h1-3,6-9H,4-5H2,(H2,19,20,21,22,23)
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253n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin)


Eur J Med Chem 67: 175-87 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.070
BindingDB Entry DOI: 10.7270/Q2416ZGB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50439015
PNG
(CHEMBL2420821)
Show SMILES CC(=O)Nc1cc(NC(=O)c2c(Cl)cccc2Cl)ccn1
Show InChI InChI=1S/C14H11Cl2N3O2/c1-8(20)18-12-7-9(5-6-17-12)19-14(21)13-10(15)3-2-4-11(13)16/h2-7H,1H3,(H2,17,18,19,20,21)
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310n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Eur J Med Chem 67: 175-87 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.070
BindingDB Entry DOI: 10.7270/Q2416ZGB
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM50457819
PNG
(CHEMBL4206671)
Show SMILES CN1CC[C@@](O)(C#Cc2cccc(c2)-n2cc(C(N)=O)c3cccnc23)C1=O |r|
Show InChI InChI=1S/C21H18N4O3/c1-24-11-9-21(28,20(24)27)8-7-14-4-2-5-15(12-14)25-13-17(18(22)26)16-6-3-10-23-19(16)25/h2-6,10,12-13,28H,9,11H2,1H3,(H2,22,26)/t21-/m0/s1
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350n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of NIK (unknown origin) expressed in baculovirus infected insect cells assessed as reduction in hydrolysis of ATP to ADP after 1 to 2 hrs ...


J Med Chem 61: 6801-6813 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00678
BindingDB Entry DOI: 10.7270/Q2PV6P00
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50439014
PNG
(CHEMBL2420829)
Show SMILES CCn1cc(Nc2cc(NC(=O)c3c(Cl)cccc3Cl)ccn2)cn1
Show InChI InChI=1S/C17H15Cl2N5O/c1-2-24-10-12(9-21-24)22-15-8-11(6-7-20-15)23-17(25)16-13(18)4-3-5-14(16)19/h3-10H,2H2,1H3,(H2,20,22,23,25)
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360n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin)


Eur J Med Chem 67: 175-87 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.070
BindingDB Entry DOI: 10.7270/Q2416ZGB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50439013
PNG
(CHEMBL2420835)
Show SMILES Clc1cccc(Cl)c1C(=O)Nc1ccnc(NC(=O)CC2CC2)c1
Show InChI InChI=1S/C17H15Cl2N3O2/c18-12-2-1-3-13(19)16(12)17(24)21-11-6-7-20-14(9-11)22-15(23)8-10-4-5-10/h1-3,6-7,9-10H,4-5,8H2,(H2,20,21,22,23,24)
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380n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Eur J Med Chem 67: 175-87 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.070
BindingDB Entry DOI: 10.7270/Q2416ZGB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50439012
PNG
(CHEMBL2420812)
Show SMILES CCNC(=O)Nc1cc(NC(=O)c2c(Cl)cccc2Cl)ccn1
Show InChI InChI=1S/C15H14Cl2N4O2/c1-2-18-15(23)21-12-8-9(6-7-19-12)20-14(22)13-10(16)4-3-5-11(13)17/h3-8H,2H2,1H3,(H3,18,19,20,21,22,23)
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430n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin)


Eur J Med Chem 67: 175-87 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.070
BindingDB Entry DOI: 10.7270/Q2416ZGB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50439011
PNG
(CHEMBL2420826)
Show SMILES Clc1cccc(Cl)c1C(=O)Nc1ccnc(Nc2cnccn2)c1
Show InChI InChI=1S/C16H11Cl2N5O/c17-11-2-1-3-12(18)15(11)16(24)22-10-4-5-20-13(8-10)23-14-9-19-6-7-21-14/h1-9H,(H2,20,21,22,23,24)
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490n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin)


Eur J Med Chem 67: 175-87 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.070
BindingDB Entry DOI: 10.7270/Q2416ZGB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50439010
PNG
(CHEMBL2420836)
Show SMILES Clc1cccc(Cl)c1C(=O)Nc1ccnc(NC(=O)C2CCC2)c1
Show InChI InChI=1S/C17H15Cl2N3O2/c18-12-5-2-6-13(19)15(12)17(24)21-11-7-8-20-14(9-11)22-16(23)10-3-1-4-10/h2,5-10H,1,3-4H2,(H2,20,21,22,23,24)
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510n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Eur J Med Chem 67: 175-87 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.070
BindingDB Entry DOI: 10.7270/Q2416ZGB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50439009
PNG
(CHEMBL2420813)
Show SMILES COC(=O)Nc1cc(NC(=O)c2c(Cl)cccc2Cl)ccn1
Show InChI InChI=1S/C14H11Cl2N3O3/c1-22-14(21)19-11-7-8(5-6-17-11)18-13(20)12-9(15)3-2-4-10(12)16/h2-7H,1H3,(H2,17,18,19,20,21)
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610n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Eur J Med Chem 67: 175-87 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.070
BindingDB Entry DOI: 10.7270/Q2416ZGB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50439008
PNG
(CHEMBL2420823)
Show SMILES Clc1cccc(Cl)c1C(=O)Nc1ccnc(Nc2ccccc2)c1
Show InChI InChI=1S/C18H13Cl2N3O/c19-14-7-4-8-15(20)17(14)18(24)23-13-9-10-21-16(11-13)22-12-5-2-1-3-6-12/h1-11H,(H2,21,22,23,24)
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860n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Eur J Med Chem 67: 175-87 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.070
BindingDB Entry DOI: 10.7270/Q2416ZGB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50439007
PNG
(CHEMBL2420824)
Show SMILES Clc1cccc(Cl)c1C(=O)Nc1ccnc(Nc2ccccn2)c1
Show InChI InChI=1S/C17H12Cl2N4O/c18-12-4-3-5-13(19)16(12)17(24)22-11-7-9-21-15(10-11)23-14-6-1-2-8-20-14/h1-10H,(H2,20,21,22,23,24)
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1.00E+3n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin)


Eur J Med Chem 67: 175-87 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.070
BindingDB Entry DOI: 10.7270/Q2416ZGB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50439006
PNG
(CHEMBL2420828)
Show SMILES Clc1cccc(Cl)c1C(=O)Nc1ccnc(Nc2cccnn2)c1
Show InChI InChI=1S/C16H11Cl2N5O/c17-11-3-1-4-12(18)15(11)16(24)21-10-6-8-19-14(9-10)22-13-5-2-7-20-23-13/h1-9H,(H2,19,21,22,23,24)
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1.00E+3n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin)


Eur J Med Chem 67: 175-87 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.070
BindingDB Entry DOI: 10.7270/Q2416ZGB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50439005
PNG
(CHEMBL2420830)
Show SMILES Clc1cccc(Cl)c1C(=O)Nc1ccnc2[nH]ccc12
Show InChI InChI=1S/C14H9Cl2N3O/c15-9-2-1-3-10(16)12(9)14(20)19-11-5-7-18-13-8(11)4-6-17-13/h1-7H,(H2,17,18,19,20)
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1.10E+3n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin)


Eur J Med Chem 67: 175-87 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.070
BindingDB Entry DOI: 10.7270/Q2416ZGB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50439025
PNG
(CHEMBL1327969)
Show SMILES Clc1cccc(Cl)c1C(=O)Nc1ccncc1
Show InChI InChI=1S/C12H8Cl2N2O/c13-9-2-1-3-10(14)11(9)12(17)16-8-4-6-15-7-5-8/h1-7H,(H,15,16,17)
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1.20E+3n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Eur J Med Chem 67: 175-87 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.070
BindingDB Entry DOI: 10.7270/Q2416ZGB
More data for this
Ligand-Target Pair
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