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PubMed code 23659214

Compile data set for download or QSAR
Found 138 hits of Enzyme Inhibition Constant Data   
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
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50434787
PNG
(CHEMBL2386635)
Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1
Show InChI InChI=1S/C18H21N5O/c1-11(24)18-22-15-10-21-17-14(7-9-20-17)16(15)23(18)13-4-2-12(3-5-13)6-8-19/h7,9-13,24H,2-6H2,1H3,(H,20,21)/t11-,12-,13-/m1/s1
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0.100n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK1 (unknown origin) using Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 mins in presence of ATP


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50434786
PNG
(CHEMBL2386636)
Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CCC#N)CC1
Show InChI InChI=1S/C19H23N5O/c1-12(25)19-23-16-11-22-18-15(8-10-21-18)17(16)24(19)14-6-4-13(5-7-14)3-2-9-20/h8,10-14,25H,2-7H2,1H3,(H,21,22)/t12-,13-,14-/m1/s1
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0.300n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK1 (unknown origin) using Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 mins in presence of ATP


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50193995
PNG
(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)
Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N
Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1
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0.400n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) using Leu-Pro-Leu-Asp-Lys-Asp-Tyr-Tyr-Val-Val-Arg as substrate after 30 mins in presence of ATP


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50193995
PNG
(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)
Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N
Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1
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0.700n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK2 (unknown origin) using Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 mins in presence of ATP


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50193995
PNG
(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)
Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N
Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1
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0.700n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK1 (unknown origin) using Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 mins in presence of ATP


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50434793
PNG
(CHEMBL2386629)
Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@@H](CC1)NCC(F)(F)F
Show InChI InChI=1S/C18H22F3N5O/c1-10(27)17-25-14-8-23-16-13(6-7-22-16)15(14)26(17)12-4-2-11(3-5-12)24-9-18(19,20)21/h6-8,10-12,24,27H,2-5,9H2,1H3,(H,22,23)/t10-,11-,12-/m1/s1
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0.800n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK1 (unknown origin) using Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 mins in presence of ATP


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50434782
PNG
(CHEMBL2386640)
Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1C1CCCCC1
Show InChI InChI=1S/C16H20N4O/c1-10(21)16-19-13-9-18-15-12(7-8-17-15)14(13)20(16)11-5-3-2-4-6-11/h7-11,21H,2-6H2,1H3,(H,17,18)/t10-/m1/s1
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0.800n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK1 (unknown origin) using Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 mins in presence of ATP


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50434788
PNG
(CHEMBL2386634)
Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@@H]1CC[C@@H](CC1)C#N
Show InChI InChI=1S/C17H19N5O/c1-10(23)17-21-14-9-20-16-13(6-7-19-16)15(14)22(17)12-4-2-11(8-18)3-5-12/h6-7,9-12,23H,2-5H2,1H3,(H,19,20)/t10-,11-,12+/m1/s1
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0.900n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK1 (unknown origin) using Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 mins in presence of ATP


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50434785
PNG
(CHEMBL2386637)
Show SMILES OCc1nc2cnc3[nH]ccc3c2n1C1CCCCC1
Show InChI InChI=1S/C15H18N4O/c20-9-13-18-12-8-17-15-11(6-7-16-15)14(12)19(13)10-4-2-1-3-5-10/h6-8,10,20H,1-5,9H2,(H,16,17)
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1.10n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK1 (unknown origin) using Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 mins in presence of ATP


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50434792
PNG
(CHEMBL2386630)
Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@@H](CC1)NCC(F)F
Show InChI InChI=1S/C18H23F2N5O/c1-10(26)18-24-14-8-23-17-13(6-7-21-17)16(14)25(18)12-4-2-11(3-5-12)22-9-15(19)20/h6-8,10-12,15,22,26H,2-5,9H2,1H3,(H,21,23)/t10-,11-,12-/m1/s1
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1.10n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK1 (unknown origin) using Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 mins in presence of ATP


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50434790
PNG
(CHEMBL2386632)
Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@@H](C1)NCC(F)(F)F
Show InChI InChI=1S/C17H20F3N5O/c1-9(26)16-24-13-7-22-15-12(4-5-21-15)14(13)25(16)11-3-2-10(6-11)23-8-17(18,19)20/h4-5,7,9-11,23,26H,2-3,6,8H2,1H3,(H,21,22)/t9-,10+,11+/m1/s1
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1.20n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK1 (unknown origin) using Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 mins in presence of ATP


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50393756
PNG
(CHEMBL2159198)
Show SMILES Cc1nc2cnc3[nH]ccc3c2n1C1CCCCC1
Show InChI InChI=1S/C15H18N4/c1-10-18-13-9-17-15-12(7-8-16-15)14(13)19(10)11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H,16,17)
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1.30n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK1 (unknown origin) using Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 mins in presence of ATP


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50434777
PNG
(CHEMBL2386645)
Show SMILES OC[C@@H](O)c1nc2cnc3[nH]ccc3c2n1C1CCCCC1
Show InChI InChI=1S/C16H20N4O2/c21-9-13(22)16-19-12-8-18-15-11(6-7-17-15)14(12)20(16)10-4-2-1-3-5-10/h6-8,10,13,21-22H,1-5,9H2,(H,17,18)/t13-/m1/s1
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1.60n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK1 (unknown origin) using Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 mins in presence of ATP


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50434779
PNG
(CHEMBL2386643)
Show SMILES CC[C@@H](O)c1nc2cnc3[nH]ccc3c2n1C1CCCCC1
Show InChI InChI=1S/C17H22N4O/c1-2-14(22)17-20-13-10-19-16-12(8-9-18-16)15(13)21(17)11-6-4-3-5-7-11/h8-11,14,22H,2-7H2,1H3,(H,18,19)/t14-/m1/s1
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1.80n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK1 (unknown origin) using Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 mins in presence of ATP


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50434789
PNG
(CHEMBL2386633)
Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@@H](CC1)C#N
Show InChI InChI=1S/C17H19N5O/c1-10(23)17-21-14-9-20-16-13(6-7-19-16)15(14)22(17)12-4-2-11(8-18)3-5-12/h6-7,9-12,23H,2-5H2,1H3,(H,19,20)/t10-,11-,12-/m1/s1
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1.90n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK1 (unknown origin) using Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 mins in presence of ATP


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50434791
PNG
(CHEMBL2385096)
Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](C1)NCC(F)(F)F
Show InChI InChI=1S/C17H20F3N5O/c1-9(26)16-24-13-7-22-15-12(4-5-21-15)14(13)25(16)11-3-2-10(6-11)23-8-17(18,19)20/h4-5,7,9-11,23,26H,2-3,6,8H2,1H3,(H,21,22)/t9-,10-,11+/m1/s1
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2n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK1 (unknown origin) using Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 mins in presence of ATP


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50434798
PNG
(CHEMBL2386648)
Show SMILES CCN1CCC(n2c(nc3cnc4[nH]ccc4c23)[C@@H](C)O)C(F)(F)C1
Show InChI InChI=1S/C17H21F2N5O/c1-3-23-7-5-13(17(18,19)9-23)24-14-11-4-6-20-15(11)21-8-12(14)22-16(24)10(2)25/h4,6,8,10,13,25H,3,5,7,9H2,1-2H3,(H,20,21)/t10-,13?/m1/s1
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2n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK1 (unknown origin) using Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 mins in presence of ATP


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50434776
PNG
(CHEMBL2386646)
Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1C1CCN(CC(F)(F)F)CC1
Show InChI InChI=1S/C17H20F3N5O/c1-10(26)16-23-13-8-22-15-12(2-5-21-15)14(13)25(16)11-3-6-24(7-4-11)9-17(18,19)20/h2,5,8,10-11,26H,3-4,6-7,9H2,1H3,(H,21,22)/t10-/m1/s1
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2.60n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK1 (unknown origin) using Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 mins in presence of ATP


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50434795
PNG
(CHEMBL2386627)
Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@@H]1CCC[C@@H](O)C1
Show InChI InChI=1S/C16H20N4O2/c1-9(21)16-19-13-8-18-15-12(5-6-17-15)14(13)20(16)10-3-2-4-11(22)7-10/h5-6,8-11,21-22H,2-4,7H2,1H3,(H,17,18)/t9-,10-,11-/m1/s1
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2.70n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK1 (unknown origin) using Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 mins in presence of ATP


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50434797
PNG
(CHEMBL2386653)
Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CCCOC1
Show InChI InChI=1S/C15H18N4O2/c1-9(20)15-18-12-7-17-14-11(4-5-16-14)13(12)19(15)10-3-2-6-21-8-10/h4-5,7,9-10,20H,2-3,6,8H2,1H3,(H,16,17)/t9-,10+/m1/s1
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2.80n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK1 (unknown origin) using Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 mins in presence of ATP


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50434775
PNG
(CHEMBL2386647)
Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1C1CCN(CCC#N)CC1
Show InChI InChI=1S/C18H22N6O/c1-12(25)18-22-15-11-21-17-14(3-7-20-17)16(15)24(18)13-4-9-23(10-5-13)8-2-6-19/h3,7,11-13,25H,2,4-5,8-10H2,1H3,(H,20,21)/t12-/m1/s1
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3.40n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK1 (unknown origin) using Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 mins in presence of ATP


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50434784
PNG
(CHEMBL2386638)
Show SMILES OCCc1nc2cnc3[nH]ccc3c2n1C1CCCCC1
Show InChI InChI=1S/C16H20N4O/c21-9-7-14-19-13-10-18-16-12(6-8-17-16)15(13)20(14)11-4-2-1-3-5-11/h6,8,10-11,21H,1-5,7,9H2,(H,17,18)
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3.5n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK1 (unknown origin) using Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 mins in presence of ATP


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50434794
PNG
(CHEMBL2386628)
Show SMILES CO[C@H]1CC[C@@H](CC1)n1c(nc2cnc3[nH]ccc3c12)[C@@H](C)O
Show InChI InChI=1S/C17H22N4O2/c1-10(22)17-20-14-9-19-16-13(7-8-18-16)15(14)21(17)11-3-5-12(23-2)6-4-11/h7-12,22H,3-6H2,1-2H3,(H,18,19)/t10-,11-,12-/m1/s1
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4.90n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK1 (unknown origin) using Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 mins in presence of ATP


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50393756
PNG
(CHEMBL2159198)
Show SMILES Cc1nc2cnc3[nH]ccc3c2n1C1CCCCC1
Show InChI InChI=1S/C15H18N4/c1-10-18-13-9-17-15-12(7-8-16-15)14(13)19(10)11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H,16,17)
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5n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK2 (unknown origin) using Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 mins in presence of ATP


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50434800
PNG
(CHEMBL2386649)
Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@@H]1CCCN(C1)C(=O)CC#N
Show InChI InChI=1S/C18H20N6O2/c1-11(25)18-22-14-9-21-17-13(5-7-20-17)16(14)24(18)12-3-2-8-23(10-12)15(26)4-6-19/h5,7,9,11-12,25H,2-4,8,10H2,1H3,(H,20,21)/t11-,12-/m1/s1
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5.20n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK1 (unknown origin) using Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 mins in presence of ATP


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50434796
PNG
(CHEMBL2386625)
Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](O)CC1
Show InChI InChI=1S/C16H20N4O2/c1-9(21)16-19-13-8-18-15-12(6-7-17-15)14(13)20(16)10-2-4-11(22)5-3-10/h6-11,21-22H,2-5H2,1H3,(H,17,18)/t9-,10-,11-/m1/s1
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5.40n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK1 (unknown origin) using Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 mins in presence of ATP


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50434787
PNG
(CHEMBL2386635)
Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1
Show InChI InChI=1S/C18H21N5O/c1-11(24)18-22-15-10-21-17-14(7-9-20-17)16(15)23(18)13-4-2-12(3-5-13)6-8-19/h7,9-13,24H,2-6H2,1H3,(H,20,21)/t11-,12-,13-/m1/s1
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5.90n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) using Leu-Pro-Leu-Asp-Lys-Asp-Tyr-Tyr-Val-Val-Arg as substrate after 30 mins in presence of ATP


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50434778
PNG
(CHEMBL2386644)
Show SMILES OC[C@H](O)c1nc2cnc3[nH]ccc3c2n1C1CCCCC1
Show InChI InChI=1S/C16H20N4O2/c21-9-13(22)16-19-12-8-18-15-11(6-7-17-15)14(12)20(16)10-4-2-1-3-5-10/h6-8,10,13,21-22H,1-5,9H2,(H,17,18)/t13-/m0/s1
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7.20n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK1 (unknown origin) using Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 mins in presence of ATP


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50434786
PNG
(CHEMBL2386636)
Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CCC#N)CC1
Show InChI InChI=1S/C19H23N5O/c1-12(25)19-23-16-11-22-18-15(8-10-21-18)17(16)24(19)14-6-4-13(5-7-14)3-2-9-20/h8,10-14,25H,2-7H2,1H3,(H,21,22)/t12-,13-,14-/m1/s1
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7.80n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) using Leu-Pro-Leu-Asp-Lys-Asp-Tyr-Tyr-Val-Val-Arg as substrate after 30 mins in presence of ATP


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50434785
PNG
(CHEMBL2386637)
Show SMILES OCc1nc2cnc3[nH]ccc3c2n1C1CCCCC1
Show InChI InChI=1S/C15H18N4O/c20-9-13-18-12-8-17-15-11(6-7-16-15)14(12)19(13)10-4-2-1-3-5-10/h6-8,10,20H,1-5,9H2,(H,16,17)
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8.30n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK2 (unknown origin) using Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 mins in presence of ATP


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50434783
PNG
(CHEMBL2386639)
Show SMILES C[C@H](O)c1nc2cnc3[nH]ccc3c2n1C1CCCCC1
Show InChI InChI=1S/C16H20N4O/c1-10(21)16-19-13-9-18-15-12(7-8-17-15)14(13)20(16)11-5-3-2-4-6-11/h7-11,21H,2-6H2,1H3,(H,17,18)/t10-/m0/s1
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10n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK1 (unknown origin) using Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 mins in presence of ATP


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50393740
PNG
(CHEMBL2159141)
Show SMILES Cc1nc2cnc3[nH]ccc3c2n1C1CCNCC1
Show InChI InChI=1S/C14H17N5/c1-9-18-12-8-17-14-11(4-7-16-14)13(12)19(9)10-2-5-15-6-3-10/h4,7-8,10,15H,2-3,5-6H2,1H3,(H,16,17)
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10n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK1 (unknown origin) using Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 mins in presence of ATP


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50434799
PNG
(CHEMBL2386626)
Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@@H]1CC[C@H](O)CC1
Show InChI InChI=1S/C16H20N4O2/c1-9(21)16-19-13-8-18-15-12(6-7-17-15)14(13)20(16)10-2-4-11(22)5-3-10/h6-11,21-22H,2-5H2,1H3,(H,17,18)/t9-,10-,11+/m1/s1
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12n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK1 (unknown origin) using Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 mins in presence of ATP


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50434781
PNG
(CHEMBL2386641)
Show SMILES CC(C)(O)c1nc2cnc3[nH]ccc3c2n1C1CCCCC1
Show InChI InChI=1S/C17H22N4O/c1-17(2,22)16-20-13-10-19-15-12(8-9-18-15)14(13)21(16)11-6-4-3-5-7-11/h8-11,22H,3-7H2,1-2H3,(H,18,19)
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13n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK1 (unknown origin) using Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 mins in presence of ATP


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50434780
PNG
(CHEMBL2386642)
Show SMILES CC[C@H](O)c1nc2cnc3[nH]ccc3c2n1C1CCCCC1
Show InChI InChI=1S/C17H22N4O/c1-2-14(22)17-20-13-10-19-16-12(8-9-18-16)15(13)21(17)11-6-4-3-5-7-11/h8-11,14,22H,2-7H2,1H3,(H,18,19)/t14-/m0/s1
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16n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK1 (unknown origin) using Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 mins in presence of ATP


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50434784
PNG
(CHEMBL2386638)
Show SMILES OCCc1nc2cnc3[nH]ccc3c2n1C1CCCCC1
Show InChI InChI=1S/C16H20N4O/c21-9-7-14-19-13-10-18-16-12(6-8-17-16)15(13)20(14)11-4-2-1-3-5-11/h6,8,10-11,21H,1-5,7,9H2,(H,17,18)
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18n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK2 (unknown origin) using Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 mins in presence of ATP


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50434777
PNG
(CHEMBL2386645)
Show SMILES OC[C@@H](O)c1nc2cnc3[nH]ccc3c2n1C1CCCCC1
Show InChI InChI=1S/C16H20N4O2/c21-9-13(22)16-19-12-8-18-15-11(6-7-17-15)14(12)20(16)10-4-2-1-3-5-10/h6-8,10,13,21-22H,1-5,9H2,(H,17,18)/t13-/m1/s1
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20n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK2 (unknown origin) using Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 mins in presence of ATP


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50434782
PNG
(CHEMBL2386640)
Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1C1CCCCC1
Show InChI InChI=1S/C16H20N4O/c1-10(21)16-19-13-9-18-15-12(7-8-17-15)14(13)20(16)11-5-3-2-4-6-11/h7-11,21H,2-6H2,1H3,(H,17,18)/t10-/m1/s1
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21n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK2 (unknown origin) using Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 mins in presence of ATP


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50434803
PNG
(CHEMBL2386651)
Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1C1CCOCC1
Show InChI InChI=1S/C15H18N4O2/c1-9(20)15-18-12-8-17-14-11(2-5-16-14)13(12)19(15)10-3-6-21-7-4-10/h2,5,8-10,20H,3-4,6-7H2,1H3,(H,16,17)/t9-/m1/s1
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31n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK1 (unknown origin) using Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 mins in presence of ATP


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50434804
PNG
(CHEMBL2386650)
Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@@H]1CCCN(C1)C(=O)CC(F)(F)F
Show InChI InChI=1S/C18H20F3N5O2/c1-10(27)17-24-13-8-23-16-12(4-5-22-16)15(13)26(17)11-3-2-6-25(9-11)14(28)7-18(19,20)21/h4-5,8,10-11,27H,2-3,6-7,9H2,1H3,(H,22,23)/t10-,11-/m1/s1
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43n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK1 (unknown origin) using Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 mins in presence of ATP


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50434779
PNG
(CHEMBL2386643)
Show SMILES CC[C@@H](O)c1nc2cnc3[nH]ccc3c2n1C1CCCCC1
Show InChI InChI=1S/C17H22N4O/c1-2-14(22)17-20-13-10-19-16-12(8-9-18-16)15(13)21(17)11-6-4-3-5-7-11/h8-11,14,22H,2-7H2,1H3,(H,18,19)/t14-/m1/s1
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44n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK2 (unknown origin) using Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 mins in presence of ATP


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50392002
PNG
(CHEMBL2152306)
Show SMILES C1CC(CCN1)n1cnc2cnc3[nH]ccc3c12
Show InChI InChI=1S/C13H15N5/c1-4-14-5-2-9(1)18-8-17-11-7-16-13-10(12(11)18)3-6-15-13/h3,6-9,14H,1-2,4-5H2,(H,15,16)
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46n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK1 (unknown origin) using Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 mins in presence of ATP


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50434778
PNG
(CHEMBL2386644)
Show SMILES OC[C@H](O)c1nc2cnc3[nH]ccc3c2n1C1CCCCC1
Show InChI InChI=1S/C16H20N4O2/c21-9-13(22)16-19-12-8-18-15-11(6-7-17-15)14(12)20(16)10-4-2-1-3-5-10/h6-8,10,13,21-22H,1-5,9H2,(H,17,18)/t13-/m0/s1
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49n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK2 (unknown origin) using Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 mins in presence of ATP


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50434801
PNG
(CHEMBL2386631)
Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@@H]1CC[C@@H](CC1)NCC(F)(F)F
Show InChI InChI=1S/C18H22F3N5O/c1-10(27)17-25-14-8-23-16-13(6-7-22-16)15(14)26(17)12-4-2-11(3-5-12)24-9-18(19,20)21/h6-8,10-12,24,27H,2-5,9H2,1H3,(H,22,23)/t10-,11-,12+/m1/s1
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53n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK1 (unknown origin) using Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 mins in presence of ATP


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50434791
PNG
(CHEMBL2385096)
Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](C1)NCC(F)(F)F
Show InChI InChI=1S/C17H20F3N5O/c1-9(26)16-24-13-7-22-15-12(4-5-21-15)14(13)25(16)11-3-2-10(6-11)23-8-17(18,19)20/h4-5,7,9-11,23,26H,2-3,6,8H2,1H3,(H,21,22)/t9-,10-,11+/m1/s1
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53n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) using Leu-Pro-Leu-Asp-Lys-Asp-Tyr-Tyr-Val-Val-Arg as substrate after 30 mins in presence of ATP


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50434802
PNG
(CHEMBL2386652)
Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@@H]1CCCOC1
Show InChI InChI=1S/C15H18N4O2/c1-9(20)15-18-12-7-17-14-11(4-5-16-14)13(12)19(15)10-3-2-6-21-8-10/h4-5,7,9-10,20H,2-3,6,8H2,1H3,(H,16,17)/t9-,10-/m1/s1
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68n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK1 (unknown origin) using Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 mins in presence of ATP


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50434793
PNG
(CHEMBL2386629)
Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@@H](CC1)NCC(F)(F)F
Show InChI InChI=1S/C18H22F3N5O/c1-10(27)17-25-14-8-23-16-13(6-7-22-16)15(14)26(17)12-4-2-11(3-5-12)24-9-18(19,20)21/h6-8,10-12,24,27H,2-5,9H2,1H3,(H,22,23)/t10-,11-,12-/m1/s1
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76n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) using Leu-Pro-Leu-Asp-Lys-Asp-Tyr-Tyr-Val-Val-Arg as substrate after 30 mins in presence of ATP


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50434781
PNG
(CHEMBL2386641)
Show SMILES CC(C)(O)c1nc2cnc3[nH]ccc3c2n1C1CCCCC1
Show InChI InChI=1S/C17H22N4O/c1-17(2,22)16-20-13-10-19-15-12(8-9-18-15)14(13)21(16)11-6-4-3-5-7-11/h8-11,22H,3-7H2,1-2H3,(H,18,19)
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76n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK2 (unknown origin) using Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 mins in presence of ATP


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50434783
PNG
(CHEMBL2386639)
Show SMILES C[C@H](O)c1nc2cnc3[nH]ccc3c2n1C1CCCCC1
Show InChI InChI=1S/C16H20N4O/c1-10(21)16-19-13-9-18-15-12(7-8-17-15)14(13)20(16)11-5-3-2-4-6-11/h7-11,21H,2-6H2,1H3,(H,17,18)/t10-/m0/s1
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90n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK2 (unknown origin) using Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 mins in presence of ATP


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50434797
PNG
(CHEMBL2386653)
Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CCCOC1
Show InChI InChI=1S/C15H18N4O2/c1-9(20)15-18-12-7-17-14-11(4-5-16-14)13(12)19(15)10-3-2-6-21-8-10/h4-5,7,9-10,20H,2-3,6,8H2,1H3,(H,16,17)/t9-,10+/m1/s1
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110n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) using Leu-Pro-Leu-Asp-Lys-Asp-Tyr-Tyr-Val-Val-Arg as substrate after 30 mins in presence of ATP


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50434780
PNG
(CHEMBL2386642)
Show SMILES CC[C@H](O)c1nc2cnc3[nH]ccc3c2n1C1CCCCC1
Show InChI InChI=1S/C17H22N4O/c1-2-14(22)17-20-13-10-19-16-12(8-9-18-16)15(13)21(17)11-6-4-3-5-7-11/h8-11,14,22H,2-7H2,1H3,(H,18,19)/t14-/m0/s1
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170n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK2 (unknown origin) using Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 mins in presence of ATP


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50393740
PNG
(CHEMBL2159141)
Show SMILES Cc1nc2cnc3[nH]ccc3c2n1C1CCNCC1
Show InChI InChI=1S/C14H17N5/c1-9-18-12-8-17-14-11(4-7-16-14)13(12)19(9)10-2-5-15-6-3-10/h4,7-8,10,15H,2-3,5-6H2,1H3,(H,16,17)
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200n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK2 (unknown origin) using Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 mins in presence of ATP


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50392002
PNG
(CHEMBL2152306)
Show SMILES C1CC(CCN1)n1cnc2cnc3[nH]ccc3c12
Show InChI InChI=1S/C13H15N5/c1-4-14-5-2-9(1)18-8-17-11-7-16-13-10(12(11)18)3-6-15-13/h3,6-9,14H,1-2,4-5H2,(H,15,16)
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250n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK2 (unknown origin) using Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 mins in presence of ATP


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50434789
PNG
(CHEMBL2386633)
Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@@H](CC1)C#N
Show InChI InChI=1S/C17H19N5O/c1-10(23)17-21-14-9-20-16-13(6-7-19-16)15(14)22(17)12-4-2-11(8-18)3-5-12/h6-7,9-12,23H,2-5H2,1H3,(H,19,20)/t10-,11-,12-/m1/s1
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280n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) using Leu-Pro-Leu-Asp-Lys-Asp-Tyr-Tyr-Val-Val-Arg as substrate after 30 mins in presence of ATP


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50434793
PNG
(CHEMBL2386629)
Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@@H](CC1)NCC(F)(F)F
Show InChI InChI=1S/C18H22F3N5O/c1-10(27)17-25-14-8-23-16-13(6-7-22-16)15(14)26(17)12-4-2-11(3-5-12)24-9-18(19,20)21/h6-8,10-12,24,27H,2-5,9H2,1H3,(H,22,23)/t10-,11-,12-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Reversible inhibition of CYP2C19 in human liver microsomes using mephenytoin as substrate by LC/MS/MS analysis


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50434786
PNG
(CHEMBL2386636)
Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CCC#N)CC1
Show InChI InChI=1S/C19H23N5O/c1-12(25)19-23-16-11-22-18-15(8-10-21-18)17(16)24(19)14-6-4-13(5-7-14)3-2-9-20/h8,10-14,25H,2-7H2,1H3,(H,21,22)/t12-,13-,14-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Reversible inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate by LC/MS/MS analysis


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50434786
PNG
(CHEMBL2386636)
Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CCC#N)CC1
Show InChI InChI=1S/C19H23N5O/c1-12(25)19-23-16-11-22-18-15(8-10-21-18)17(16)24(19)14-6-4-13(5-7-14)3-2-9-20/h8,10-14,25H,2-7H2,1H3,(H,21,22)/t12-,13-,14-/m1/s1
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Genentech

Curated by ChEMBL


Assay Description
Reversible inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate by LC/MS/MS analysis


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50434797
PNG
(CHEMBL2386653)
Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CCCOC1
Show InChI InChI=1S/C15H18N4O2/c1-9(20)15-18-12-7-17-14-11(4-5-16-14)13(12)19(15)10-3-2-6-21-8-10/h4-5,7,9-10,20H,2-3,6,8H2,1H3,(H,16,17)/t9-,10+/m1/s1
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Genentech

Curated by ChEMBL


Assay Description
Reversible inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate by LC/MS/MS analysis


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50434791
PNG
(CHEMBL2385096)
Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](C1)NCC(F)(F)F
Show InChI InChI=1S/C17H20F3N5O/c1-9(26)16-24-13-7-22-15-12(4-5-21-15)14(13)25(16)11-3-2-10(6-11)23-8-17(18,19)20/h4-5,7,9-11,23,26H,2-3,6,8H2,1H3,(H,21,22)/t9-,10-,11+/m1/s1
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Genentech

Curated by ChEMBL


Assay Description
Reversible inhibition of CYP2C19 in human liver microsomes using mephenytoin as substrate by LC/MS/MS analysis


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50434791
PNG
(CHEMBL2385096)
Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](C1)NCC(F)(F)F
Show InChI InChI=1S/C17H20F3N5O/c1-9(26)16-24-13-7-22-15-12(4-5-21-15)14(13)25(16)11-3-2-10(6-11)23-8-17(18,19)20/h4-5,7,9-11,23,26H,2-3,6,8H2,1H3,(H,21,22)/t9-,10-,11+/m1/s1
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Genentech

Curated by ChEMBL


Assay Description
Reversible inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate by LC/MS/MS analysis


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50434791
PNG
(CHEMBL2385096)
Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](C1)NCC(F)(F)F
Show InChI InChI=1S/C17H20F3N5O/c1-9(26)16-24-13-7-22-15-12(4-5-21-15)14(13)25(16)11-3-2-10(6-11)23-8-17(18,19)20/h4-5,7,9-11,23,26H,2-3,6,8H2,1H3,(H,21,22)/t9-,10-,11+/m1/s1
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Genentech

Curated by ChEMBL


Assay Description
Reversible inhibition of CYP2C9 in human liver microsomes using warfarin as substrate by LC/MS/MS analysis


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50434797
PNG
(CHEMBL2386653)
Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CCCOC1
Show InChI InChI=1S/C15H18N4O2/c1-9(20)15-18-12-7-17-14-11(4-5-16-14)13(12)19(15)10-3-2-6-21-8-10/h4-5,7,9-10,20H,2-3,6,8H2,1H3,(H,16,17)/t9-,10+/m1/s1
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Genentech

Curated by ChEMBL


Assay Description
Reversible inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate by LC/MS/MS analysis


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50434787
PNG
(CHEMBL2386635)
Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1
Show InChI InChI=1S/C18H21N5O/c1-11(24)18-22-15-10-21-17-14(7-9-20-17)16(15)23(18)13-4-2-12(3-5-13)6-8-19/h7,9-13,24H,2-6H2,1H3,(H,20,21)/t11-,12-,13-/m1/s1
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Genentech

Curated by ChEMBL


Assay Description
Reversible inhibition of CYP2C9 in human liver microsomes using warfarin as substrate by LC/MS/MS analysis


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50434797
PNG
(CHEMBL2386653)
Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CCCOC1
Show InChI InChI=1S/C15H18N4O2/c1-9(20)15-18-12-7-17-14-11(4-5-16-14)13(12)19(15)10-3-2-6-21-8-10/h4-5,7,9-10,20H,2-3,6,8H2,1H3,(H,16,17)/t9-,10+/m1/s1
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Genentech

Curated by ChEMBL


Assay Description
Reversible inhibition of CYP2C19 in human liver microsomes using mephenytoin as substrate by LC/MS/MS analysis


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50434786
PNG
(CHEMBL2386636)
Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CCC#N)CC1
Show InChI InChI=1S/C19H23N5O/c1-12(25)19-23-16-11-22-18-15(8-10-21-18)17(16)24(19)14-6-4-13(5-7-14)3-2-9-20/h8,10-14,25H,2-7H2,1H3,(H,21,22)/t12-,13-,14-/m1/s1
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Genentech

Curated by ChEMBL


Assay Description
Reversible inhibition of CYP2C9 in human liver microsomes using warfarin as substrate by LC/MS/MS analysis


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50434793
PNG
(CHEMBL2386629)
Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@@H](CC1)NCC(F)(F)F
Show InChI InChI=1S/C18H22F3N5O/c1-10(27)17-25-14-8-23-16-13(6-7-22-16)15(14)26(17)12-4-2-11(3-5-12)24-9-18(19,20)21/h6-8,10-12,24,27H,2-5,9H2,1H3,(H,22,23)/t10-,11-,12-/m1/s1
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Genentech

Curated by ChEMBL


Assay Description
Reversible inhibition of CYP2C9 in human liver microsomes using warfarin as substrate by LC/MS/MS analysis


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50434787
PNG
(CHEMBL2386635)
Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1
Show InChI InChI=1S/C18H21N5O/c1-11(24)18-22-15-10-21-17-14(7-9-20-17)16(15)23(18)13-4-2-12(3-5-13)6-8-19/h7,9-13,24H,2-6H2,1H3,(H,20,21)/t11-,12-,13-/m1/s1
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Genentech

Curated by ChEMBL


Assay Description
Reversible inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate by LC/MS/MS analysis


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50434793
PNG
(CHEMBL2386629)
Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@@H](CC1)NCC(F)(F)F
Show InChI InChI=1S/C18H22F3N5O/c1-10(27)17-25-14-8-23-16-13(6-7-22-16)15(14)26(17)12-4-2-11(3-5-12)24-9-18(19,20)21/h6-8,10-12,24,27H,2-5,9H2,1H3,(H,22,23)/t10-,11-,12-/m1/s1
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Genentech

Curated by ChEMBL


Assay Description
Reversible inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate by LC/MS/MS analysis


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50434789
PNG
(CHEMBL2386633)
Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@@H](CC1)C#N
Show InChI InChI=1S/C17H19N5O/c1-10(23)17-21-14-9-20-16-13(6-7-19-16)15(14)22(17)12-4-2-11(8-18)3-5-12/h6-7,9-12,23H,2-5H2,1H3,(H,19,20)/t10-,11-,12-/m1/s1
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Genentech

Curated by ChEMBL


Assay Description
Reversible inhibition of CYP2C19 in human liver microsomes using mephenytoin as substrate by LC/MS/MS analysis


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50434797
PNG
(CHEMBL2386653)
Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CCCOC1
Show InChI InChI=1S/C15H18N4O2/c1-9(20)15-18-12-7-17-14-11(4-5-16-14)13(12)19(15)10-3-2-6-21-8-10/h4-5,7,9-10,20H,2-3,6,8H2,1H3,(H,16,17)/t9-,10+/m1/s1
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Genentech

Curated by ChEMBL


Assay Description
Reversible inhibition of CYP2C9 in human liver microsomes using warfarin as substrate by LC/MS/MS analysis


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50434786
PNG
(CHEMBL2386636)
Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CCC#N)CC1
Show InChI InChI=1S/C19H23N5O/c1-12(25)19-23-16-11-22-18-15(8-10-21-18)17(16)24(19)14-6-4-13(5-7-14)3-2-9-20/h8,10-14,25H,2-7H2,1H3,(H,21,22)/t12-,13-,14-/m1/s1
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Genentech

Curated by ChEMBL


Assay Description
Reversible inhibition of CYP2C19 in human liver microsomes using mephenytoin as substrate by LC/MS/MS analysis


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50434787
PNG
(CHEMBL2386635)
Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1
Show InChI InChI=1S/C18H21N5O/c1-11(24)18-22-15-10-21-17-14(7-9-20-17)16(15)23(18)13-4-2-12(3-5-13)6-8-19/h7,9-13,24H,2-6H2,1H3,(H,20,21)/t11-,12-,13-/m1/s1
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Genentech

Curated by ChEMBL


Assay Description
Reversible inhibition of CYP2C19 in human liver microsomes using mephenytoin as substrate by LC/MS/MS analysis


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50434787
PNG
(CHEMBL2386635)
Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1
Show InChI InChI=1S/C18H21N5O/c1-11(24)18-22-15-10-21-17-14(7-9-20-17)16(15)23(18)13-4-2-12(3-5-13)6-8-19/h7,9-13,24H,2-6H2,1H3,(H,20,21)/t11-,12-,13-/m1/s1
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Genentech

Curated by ChEMBL


Assay Description
Reversible inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate by LC/MS/MS analysis


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50434789
PNG
(CHEMBL2386633)
Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@@H](CC1)C#N
Show InChI InChI=1S/C17H19N5O/c1-10(23)17-21-14-9-20-16-13(6-7-19-16)15(14)22(17)12-4-2-11(8-18)3-5-12/h6-7,9-12,23H,2-5H2,1H3,(H,19,20)/t10-,11-,12-/m1/s1
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Genentech

Curated by ChEMBL


Assay Description
Reversible inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate by LC/MS/MS analysis


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50434789
PNG
(CHEMBL2386633)
Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@@H](CC1)C#N
Show InChI InChI=1S/C17H19N5O/c1-10(23)17-21-14-9-20-16-13(6-7-19-16)15(14)22(17)12-4-2-11(8-18)3-5-12/h6-7,9-12,23H,2-5H2,1H3,(H,19,20)/t10-,11-,12-/m1/s1
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Genentech

Curated by ChEMBL


Assay Description
Reversible inhibition of CYP2C9 in human liver microsomes using warfarin as substrate by LC/MS/MS analysis


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50434789
PNG
(CHEMBL2386633)
Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@@H](CC1)C#N
Show InChI InChI=1S/C17H19N5O/c1-10(23)17-21-14-9-20-16-13(6-7-19-16)15(14)22(17)12-4-2-11(8-18)3-5-12/h6-7,9-12,23H,2-5H2,1H3,(H,19,20)/t10-,11-,12-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Reversible inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate by LC/MS/MS analysis


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50434791
PNG
(CHEMBL2385096)
Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](C1)NCC(F)(F)F
Show InChI InChI=1S/C17H20F3N5O/c1-9(26)16-24-13-7-22-15-12(4-5-21-15)14(13)25(16)11-3-2-10(6-11)23-8-17(18,19)20/h4-5,7,9-11,23,26H,2-3,6,8H2,1H3,(H,21,22)/t9-,10-,11+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Reversible inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate by LC/MS/MS analysis


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50434793
PNG
(CHEMBL2386629)
Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@@H](CC1)NCC(F)(F)F
Show InChI InChI=1S/C18H22F3N5O/c1-10(27)17-25-14-8-23-16-13(6-7-22-16)15(14)26(17)12-4-2-11(3-5-12)24-9-18(19,20)21/h6-8,10-12,24,27H,2-5,9H2,1H3,(H,22,23)/t10-,11-,12-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Reversible inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate by LC/MS/MS analysis


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50434780
PNG
(CHEMBL2386642)
Show SMILES CC[C@H](O)c1nc2cnc3[nH]ccc3c2n1C1CCCCC1
Show InChI InChI=1S/C17H22N4O/c1-2-14(22)17-20-13-10-19-16-12(8-9-18-16)15(13)21(17)11-6-4-3-5-7-11/h8-11,14,22H,2-7H2,1H3,(H,18,19)/t14-/m0/s1
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n/an/an/an/a>10n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in human TF1 cells assessed as inhibition of EPO-induced STAT5 phosphorylation incubated for 20 mins followed by IL6 challenge for...


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50434784
PNG
(CHEMBL2386638)
Show SMILES OCCc1nc2cnc3[nH]ccc3c2n1C1CCCCC1
Show InChI InChI=1S/C16H20N4O/c21-9-7-14-19-13-10-18-16-12(6-8-17-16)15(13)20(14)11-4-2-1-3-5-11/h6,8,10-11,21H,1-5,7,9H2,(H,17,18)
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n/an/an/an/a 1.50E+3n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in human TF1 cells assessed as inhibition of EPO-induced STAT5 phosphorylation incubated for 20 mins followed by IL6 challenge for...


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50193995
PNG
(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)
Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N
Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1
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n/an/an/an/a 93n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in human TF1 cells assessed as inhibition of EPO-induced STAT5 phosphorylation incubated for 20 mins followed by IL6 challenge for...


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50434791
PNG
(CHEMBL2385096)
Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](C1)NCC(F)(F)F
Show InChI InChI=1S/C17H20F3N5O/c1-9(26)16-24-13-7-22-15-12(4-5-21-15)14(13)25(16)11-3-2-10(6-11)23-8-17(18,19)20/h4-5,7,9-11,23,26H,2-3,6,8H2,1H3,(H,21,22)/t9-,10-,11+/m1/s1
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n/an/an/an/a 70n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-induced STAT3 phosphorylation incubated for 20 mins followed by IL6 challenge for...


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50434775
PNG
(CHEMBL2386647)
Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1C1CCN(CCC#N)CC1
Show InChI InChI=1S/C18H22N6O/c1-12(25)18-22-15-11-21-17-14(3-7-20-17)16(15)24(18)13-4-9-23(10-5-13)8-2-6-19/h3,7,11-13,25H,2,4-5,8-10H2,1H3,(H,20,21)/t12-/m1/s1
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n/an/an/an/a 510n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-induced STAT3 phosphorylation incubated for 20 mins followed by IL6 challenge for...


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50434796
PNG
(CHEMBL2386625)
Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](O)CC1
Show InChI InChI=1S/C16H20N4O2/c1-9(21)16-19-13-8-18-15-12(6-7-17-15)14(13)20(16)10-2-4-11(22)5-3-10/h6-11,21-22H,2-5H2,1H3,(H,17,18)/t9-,10-,11-/m1/s1
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n/an/an/an/a 730n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-induced STAT3 phosphorylation incubated for 20 mins followed by IL6 challenge for...


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50434797
PNG
(CHEMBL2386653)
Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CCCOC1
Show InChI InChI=1S/C15H18N4O2/c1-9(20)15-18-12-7-17-14-11(4-5-16-14)13(12)19(15)10-3-2-6-21-8-10/h4-5,7,9-10,20H,2-3,6,8H2,1H3,(H,16,17)/t9-,10+/m1/s1
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n/an/an/an/a 180n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-induced STAT3 phosphorylation incubated for 20 mins followed by IL6 challenge for...


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50434775
PNG
(CHEMBL2386647)
Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1C1CCN(CCC#N)CC1
Show InChI InChI=1S/C18H22N6O/c1-12(25)18-22-15-11-21-17-14(3-7-20-17)16(15)24(18)13-4-9-23(10-5-13)8-2-6-19/h3,7,11-13,25H,2,4-5,8-10H2,1H3,(H,20,21)/t12-/m1/s1
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n/an/an/an/a 320n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-induced STAT3 phosphorylation incubated for 20 mins followed by IL6 challenge for...


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50434785
PNG
(CHEMBL2386637)
Show SMILES OCc1nc2cnc3[nH]ccc3c2n1C1CCCCC1
Show InChI InChI=1S/C15H18N4O/c20-9-13-18-12-8-17-15-11(6-7-16-15)14(12)19(13)10-4-2-1-3-5-10/h6-8,10,20H,1-5,9H2,(H,16,17)
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n/an/an/an/a 730n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in human TF1 cells assessed as inhibition of EPO-induced STAT5 phosphorylation incubated for 20 mins followed by IL6 challenge for...


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50434786
PNG
(CHEMBL2386636)
Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CCC#N)CC1
Show InChI InChI=1S/C19H23N5O/c1-12(25)19-23-16-11-22-18-15(8-10-21-18)17(16)24(19)14-6-4-13(5-7-14)3-2-9-20/h8,10-14,25H,2-7H2,1H3,(H,21,22)/t12-,13-,14-/m1/s1
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n/an/an/an/a 43n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-induced STAT3 phosphorylation incubated for 20 mins followed by IL6 challenge for...


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50434790
PNG
(CHEMBL2386632)
Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@@H](C1)NCC(F)(F)F
Show InChI InChI=1S/C17H20F3N5O/c1-9(26)16-24-13-7-22-15-12(4-5-21-15)14(13)25(16)11-3-2-10(6-11)23-8-17(18,19)20/h4-5,7,9-11,23,26H,2-3,6,8H2,1H3,(H,21,22)/t9-,10+,11+/m1/s1
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n/an/an/an/a 74n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-induced STAT3 phosphorylation incubated for 20 mins followed by IL6 challenge for...


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50434797
PNG
(CHEMBL2386653)
Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CCCOC1
Show InChI InChI=1S/C15H18N4O2/c1-9(20)15-18-12-7-17-14-11(4-5-16-14)13(12)19(15)10-3-2-6-21-8-10/h4-5,7,9-10,20H,2-3,6,8H2,1H3,(H,16,17)/t9-,10+/m1/s1
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n/an/an/an/a 110n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-induced STAT3 phosphorylation incubated for 20 mins followed by IL6 challenge for...


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50434776
PNG
(CHEMBL2386646)
Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1C1CCN(CC(F)(F)F)CC1
Show InChI InChI=1S/C17H20F3N5O/c1-10(26)16-23-13-8-22-15-12(2-5-21-15)14(13)25(16)11-3-6-24(7-4-11)9-17(18,19)20/h2,5,8,10-11,26H,3-4,6-7,9H2,1H3,(H,21,22)/t10-/m1/s1
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-induced STAT3 phosphorylation incubated for 20 mins followed by IL6 challenge for...


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50434786
PNG
(CHEMBL2386636)
Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CCC#N)CC1
Show InChI InChI=1S/C19H23N5O/c1-12(25)19-23-16-11-22-18-15(8-10-21-18)17(16)24(19)14-6-4-13(5-7-14)3-2-9-20/h8,10-14,25H,2-7H2,1H3,(H,21,22)/t12-,13-,14-/m1/s1
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n/an/an/an/a 33n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-induced STAT3 phosphorylation incubated for 20 mins followed by IL6 challenge for...


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50434792
PNG
(CHEMBL2386630)
Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@@H](CC1)NCC(F)F
Show InChI InChI=1S/C18H23F2N5O/c1-10(26)18-24-14-8-23-17-13(6-7-21-17)16(14)25(18)12-4-2-11(3-5-12)22-9-15(19)20/h6-8,10-12,15,22,26H,2-5,9H2,1H3,(H,21,23)/t10-,11-,12-/m1/s1
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n/an/an/an/a 62n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-induced STAT3 phosphorylation incubated for 20 mins followed by IL6 challenge for...


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50434798
PNG
(CHEMBL2386648)
Show SMILES CCN1CCC(n2c(nc3cnc4[nH]ccc4c23)[C@@H](C)O)C(F)(F)C1
Show InChI InChI=1S/C17H21F2N5O/c1-3-23-7-5-13(17(18,19)9-23)24-14-11-4-6-20-15(11)21-8-12(14)22-16(24)10(2)25/h4,6,8,10,13,25H,3,5,7,9H2,1-2H3,(H,20,21)/t10-,13?/m1/s1
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-induced STAT3 phosphorylation incubated for 20 mins followed by IL6 challenge for...


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50434779
PNG
(CHEMBL2386643)
Show SMILES CC[C@@H](O)c1nc2cnc3[nH]ccc3c2n1C1CCCCC1
Show InChI InChI=1S/C17H22N4O/c1-2-14(22)17-20-13-10-19-16-12(8-9-18-16)15(13)21(17)11-6-4-3-5-7-11/h8-11,14,22H,2-7H2,1H3,(H,18,19)/t14-/m1/s1
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n/an/an/an/a 2.90E+3n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in human TF1 cells assessed as inhibition of EPO-induced STAT5 phosphorylation incubated for 20 mins followed by IL6 challenge for...


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50434782
PNG
(CHEMBL2386640)
Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1C1CCCCC1
Show InChI InChI=1S/C16H20N4O/c1-10(21)16-19-13-9-18-15-12(7-8-17-15)14(13)20(16)11-5-3-2-4-6-11/h7-11,21H,2-6H2,1H3,(H,17,18)/t10-/m1/s1
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n/an/an/an/a 1.70E+3n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in human TF1 cells assessed as inhibition of EPO-induced STAT5 phosphorylation incubated for 20 mins followed by IL6 challenge for...


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50434788
PNG
(CHEMBL2386634)
Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@@H]1CC[C@@H](CC1)C#N
Show InChI InChI=1S/C17H19N5O/c1-10(23)17-21-14-9-20-16-13(6-7-19-16)15(14)22(17)12-4-2-11(8-18)3-5-12/h6-7,9-12,23H,2-5H2,1H3,(H,19,20)/t10-,11-,12+/m1/s1
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n/an/an/an/a 49n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-induced STAT3 phosphorylation incubated for 20 mins followed by IL6 challenge for...


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50434794
PNG
(CHEMBL2386628)
Show SMILES CO[C@H]1CC[C@@H](CC1)n1c(nc2cnc3[nH]ccc3c12)[C@@H](C)O
Show InChI InChI=1S/C17H22N4O2/c1-10(22)17-20-14-9-19-16-13(7-8-18-16)15(14)21(17)11-3-5-12(23-2)6-4-11/h7-12,22H,3-6H2,1-2H3,(H,18,19)/t10-,11-,12-/m1/s1
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n/an/an/an/a 240n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-induced STAT3 phosphorylation incubated for 20 mins followed by IL6 challenge for...


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50434796
PNG
(CHEMBL2386625)
Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](O)CC1
Show InChI InChI=1S/C16H20N4O2/c1-9(21)16-19-13-8-18-15-12(6-7-17-15)14(13)20(16)10-2-4-11(22)5-3-10/h6-11,21-22H,2-5H2,1H3,(H,17,18)/t9-,10-,11-/m1/s1
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n/an/an/an/a 410n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-induced STAT3 phosphorylation incubated for 20 mins followed by IL6 challenge for...


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50434800
PNG
(CHEMBL2386649)
Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@@H]1CCCN(C1)C(=O)CC#N
Show InChI InChI=1S/C18H20N6O2/c1-11(25)18-22-14-9-21-17-13(5-7-20-17)16(14)24(18)12-3-2-8-23(10-12)15(26)4-6-19/h5,7,9,11-12,25H,2-4,8,10H2,1H3,(H,20,21)/t11-,12-/m1/s1
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n/an/an/an/a 8.20E+3n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-induced STAT3 phosphorylation incubated for 20 mins followed by IL6 challenge for...


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50434789
PNG
(CHEMBL2386633)
Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@@H](CC1)C#N
Show InChI InChI=1S/C17H19N5O/c1-10(23)17-21-14-9-20-16-13(6-7-19-16)15(14)22(17)12-4-2-11(8-18)3-5-12/h6-7,9-12,23H,2-5H2,1H3,(H,19,20)/t10-,11-,12-/m1/s1
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n/an/an/an/a 130n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-induced STAT3 phosphorylation incubated for 20 mins followed by IL6 challenge for...


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50434776
PNG
(CHEMBL2386646)
Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1C1CCN(CC(F)(F)F)CC1
Show InChI InChI=1S/C17H20F3N5O/c1-10(26)16-23-13-8-22-15-12(2-5-21-15)14(13)25(16)11-3-6-24(7-4-11)9-17(18,19)20/h2,5,8,10-11,26H,3-4,6-7,9H2,1H3,(H,21,22)/t10-/m1/s1
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n/an/an/an/a 820n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-induced STAT3 phosphorylation incubated for 20 mins followed by IL6 challenge for...


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50434793
PNG
(CHEMBL2386629)
Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@@H](CC1)NCC(F)(F)F
Show InChI InChI=1S/C18H22F3N5O/c1-10(27)17-25-14-8-23-16-13(6-7-22-16)15(14)26(17)12-4-2-11(3-5-12)24-9-18(19,20)21/h6-8,10-12,24,27H,2-5,9H2,1H3,(H,22,23)/t10-,11-,12-/m1/s1
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n/an/an/an/a 28n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-induced STAT3 phosphorylation incubated for 20 mins followed by IL6 challenge for...


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50434784
PNG
(CHEMBL2386638)
Show SMILES OCCc1nc2cnc3[nH]ccc3c2n1C1CCCCC1
Show InChI InChI=1S/C16H20N4O/c21-9-7-14-19-13-10-18-16-12(6-8-17-16)15(13)20(14)11-4-2-1-3-5-11/h6,8,10-11,21H,1-5,7,9H2,(H,17,18)
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n/an/an/an/a 130n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-induced STAT3 phosphorylation incubated for 20 mins followed by IL6 challenge for...


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50434787
PNG
(CHEMBL2386635)
Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1
Show InChI InChI=1S/C18H21N5O/c1-11(24)18-22-15-10-21-17-14(7-9-20-17)16(15)23(18)13-4-2-12(3-5-13)6-8-19/h7,9-13,24H,2-6H2,1H3,(H,20,21)/t11-,12-,13-/m1/s1
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n/an/an/an/a 28n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-induced STAT3 phosphorylation incubated for 20 mins followed by IL6 challenge for...


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50434788
PNG
(CHEMBL2386634)
Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@@H]1CC[C@@H](CC1)C#N
Show InChI InChI=1S/C17H19N5O/c1-10(23)17-21-14-9-20-16-13(6-7-19-16)15(14)22(17)12-4-2-11(8-18)3-5-12/h6-7,9-12,23H,2-5H2,1H3,(H,19,20)/t10-,11-,12+/m1/s1
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n/an/an/an/a 78n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-induced STAT3 phosphorylation incubated for 20 mins followed by IL6 challenge for...


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50434777
PNG
(CHEMBL2386645)
Show SMILES OC[C@@H](O)c1nc2cnc3[nH]ccc3c2n1C1CCCCC1
Show InChI InChI=1S/C16H20N4O2/c21-9-13(22)16-19-12-8-18-15-11(6-7-17-15)14(12)20(16)10-4-2-1-3-5-10/h6-8,10,13,21-22H,1-5,9H2,(H,17,18)/t13-/m1/s1
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n/an/an/an/a 1.50E+3n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in human TF1 cells assessed as inhibition of EPO-induced STAT5 phosphorylation incubated for 20 mins followed by IL6 challenge for...


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50434781
PNG
(CHEMBL2386641)
Show SMILES CC(C)(O)c1nc2cnc3[nH]ccc3c2n1C1CCCCC1
Show InChI InChI=1S/C17H22N4O/c1-17(2,22)16-20-13-10-19-15-12(8-9-18-15)14(13)21(16)11-6-4-3-5-7-11/h8-11,22H,3-7H2,1-2H3,(H,18,19)
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n/an/an/an/a 4.40E+3n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in human TF1 cells assessed as inhibition of EPO-induced STAT5 phosphorylation incubated for 20 mins followed by IL6 challenge for...


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50393756
PNG
(CHEMBL2159198)
Show SMILES Cc1nc2cnc3[nH]ccc3c2n1C1CCCCC1
Show InChI InChI=1S/C15H18N4/c1-10-18-13-9-17-15-12(7-8-16-15)14(13)19(10)11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H,16,17)
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n/an/an/an/a 490n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in human TF1 cells assessed as inhibition of EPO-induced STAT5 phosphorylation incubated for 20 mins followed by IL6 challenge for...


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50434792
PNG
(CHEMBL2386630)
Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@@H](CC1)NCC(F)F
Show InChI InChI=1S/C18H23F2N5O/c1-10(26)18-24-14-8-23-17-13(6-7-21-17)16(14)25(18)12-4-2-11(3-5-12)22-9-15(19)20/h6-8,10-12,15,22,26H,2-5,9H2,1H3,(H,21,23)/t10-,11-,12-/m1/s1
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n/an/an/an/a 57n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-induced STAT3 phosphorylation incubated for 20 mins followed by IL6 challenge for...


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50434793
PNG
(CHEMBL2386629)
Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@@H](CC1)NCC(F)(F)F
Show InChI InChI=1S/C18H22F3N5O/c1-10(27)17-25-14-8-23-16-13(6-7-22-16)15(14)26(17)12-4-2-11(3-5-12)24-9-18(19,20)21/h6-8,10-12,24,27H,2-5,9H2,1H3,(H,22,23)/t10-,11-,12-/m1/s1
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n/an/an/an/a 29n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-induced STAT3 phosphorylation incubated for 20 mins followed by IL6 challenge for...


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50434777
PNG
(CHEMBL2386645)
Show SMILES OC[C@@H](O)c1nc2cnc3[nH]ccc3c2n1C1CCCCC1
Show InChI InChI=1S/C16H20N4O2/c21-9-13(22)16-19-12-8-18-15-11(6-7-17-15)14(12)20(16)10-4-2-1-3-5-10/h6-8,10,13,21-22H,1-5,9H2,(H,17,18)/t13-/m1/s1
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n/an/an/an/a 220n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-induced STAT3 phosphorylation incubated for 20 mins followed by IL6 challenge for...


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50434779
PNG
(CHEMBL2386643)
Show SMILES CC[C@@H](O)c1nc2cnc3[nH]ccc3c2n1C1CCCCC1
Show InChI InChI=1S/C17H22N4O/c1-2-14(22)17-20-13-10-19-16-12(8-9-18-16)15(13)21(17)11-6-4-3-5-7-11/h8-11,14,22H,2-7H2,1H3,(H,18,19)/t14-/m1/s1
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n/an/an/an/a 1.60E+3n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-induced STAT3 phosphorylation incubated for 20 mins followed by IL6 challenge for...


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50434784
PNG
(CHEMBL2386638)
Show SMILES OCCc1nc2cnc3[nH]ccc3c2n1C1CCCCC1
Show InChI InChI=1S/C16H20N4O/c21-9-7-14-19-13-10-18-16-12(6-8-17-16)15(13)20(14)11-4-2-1-3-5-11/h6,8,10-11,21H,1-5,7,9H2,(H,17,18)
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n/an/an/an/a 1.50E+3n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-induced STAT3 phosphorylation incubated for 20 mins followed by IL6 challenge for...


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50434785
PNG
(CHEMBL2386637)
Show SMILES OCc1nc2cnc3[nH]ccc3c2n1C1CCCCC1
Show InChI InChI=1S/C15H18N4O/c20-9-13-18-12-8-17-15-11(6-7-16-15)14(12)19(13)10-4-2-1-3-5-10/h6-8,10,20H,1-5,9H2,(H,16,17)
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n/an/an/an/a 313n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-induced STAT3 phosphorylation incubated for 20 mins followed by IL6 challenge for...


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50434794
PNG
(CHEMBL2386628)
Show SMILES CO[C@H]1CC[C@@H](CC1)n1c(nc2cnc3[nH]ccc3c12)[C@@H](C)O
Show InChI InChI=1S/C17H22N4O2/c1-10(22)17-20-14-9-19-16-13(7-8-18-16)15(14)21(17)11-3-5-12(23-2)6-4-11/h7-12,22H,3-6H2,1-2H3,(H,18,19)/t10-,11-,12-/m1/s1
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n/an/an/an/a 280n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-induced STAT3 phosphorylation incubated for 20 mins followed by IL6 challenge for...


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50193995
PNG
(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)
Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N
Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1
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n/an/an/an/a 43n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-induced STAT3 phosphorylation incubated for 20 mins followed by IL6 challenge for...


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50434778
PNG
(CHEMBL2386644)
Show SMILES OC[C@H](O)c1nc2cnc3[nH]ccc3c2n1C1CCCCC1
Show InChI InChI=1S/C16H20N4O2/c21-9-13(22)16-19-12-8-18-15-11(6-7-17-15)14(12)20(16)10-4-2-1-3-5-10/h6-8,10,13,21-22H,1-5,9H2,(H,17,18)/t13-/m0/s1
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n/an/an/an/a 4.70E+3n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in human TF1 cells assessed as inhibition of EPO-induced STAT5 phosphorylation incubated for 20 mins followed by IL6 challenge for...


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50434795
PNG
(CHEMBL2386627)
Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@@H]1CCC[C@@H](O)C1
Show InChI InChI=1S/C16H20N4O2/c1-9(21)16-19-13-8-18-15-12(5-6-17-15)14(13)20(16)10-3-2-4-11(22)7-10/h5-6,8-11,21-22H,2-4,7H2,1H3,(H,17,18)/t9-,10-,11-/m1/s1
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n/an/an/an/a 120n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-induced STAT3 phosphorylation incubated for 20 mins followed by IL6 challenge for...


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50434799
PNG
(CHEMBL2386626)
Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@@H]1CC[C@H](O)CC1
Show InChI InChI=1S/C16H20N4O2/c1-9(21)16-19-13-8-18-15-12(6-7-17-15)14(13)20(16)10-2-4-11(22)5-3-10/h6-11,21-22H,2-5H2,1H3,(H,17,18)/t9-,10-,11+/m1/s1
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n/an/an/an/a 380n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-induced STAT3 phosphorylation incubated for 20 mins followed by IL6 challenge for...


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50434798
PNG
(CHEMBL2386648)
Show SMILES CCN1CCC(n2c(nc3cnc4[nH]ccc4c23)[C@@H](C)O)C(F)(F)C1
Show InChI InChI=1S/C17H21F2N5O/c1-3-23-7-5-13(17(18,19)9-23)24-14-11-4-6-20-15(11)21-8-12(14)22-16(24)10(2)25/h4,6,8,10,13,25H,3,5,7,9H2,1-2H3,(H,20,21)/t10-,13?/m1/s1
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n/an/an/an/a 88n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-induced STAT3 phosphorylation incubated for 20 mins followed by IL6 challenge for...


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50434779
PNG
(CHEMBL2386643)
Show SMILES CC[C@@H](O)c1nc2cnc3[nH]ccc3c2n1C1CCCCC1
Show InChI InChI=1S/C17H22N4O/c1-2-14(22)17-20-13-10-19-16-12(8-9-18-16)15(13)21(17)11-6-4-3-5-7-11/h8-11,14,22H,2-7H2,1H3,(H,18,19)/t14-/m1/s1
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n/an/an/an/a 84n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-induced STAT3 phosphorylation incubated for 20 mins followed by IL6 challenge for...


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50434785
PNG
(CHEMBL2386637)
Show SMILES OCc1nc2cnc3[nH]ccc3c2n1C1CCCCC1
Show InChI InChI=1S/C15H18N4O/c20-9-13-18-12-8-17-15-11(6-7-16-15)14(12)19(13)10-4-2-1-3-5-10/h6-8,10,20H,1-5,9H2,(H,16,17)
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n/an/an/an/a 64n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-induced STAT3 phosphorylation incubated for 20 mins followed by IL6 challenge for...


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50193995
PNG
(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)
Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N
Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1
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n/an/an/an/a 53n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-induced STAT3 phosphorylation incubated for 20 mins followed by IL6 challenge for...


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50434795
PNG
(CHEMBL2386627)
Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@@H]1CCC[C@@H](O)C1
Show InChI InChI=1S/C16H20N4O2/c1-9(21)16-19-13-8-18-15-12(5-6-17-15)14(13)20(16)10-3-2-4-11(22)7-10/h5-6,8-11,21-22H,2-4,7H2,1H3,(H,17,18)/t9-,10-,11-/m1/s1
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n/an/an/an/a 140n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-induced STAT3 phosphorylation incubated for 20 mins followed by IL6 challenge for...


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50434783
PNG
(CHEMBL2386639)
Show SMILES C[C@H](O)c1nc2cnc3[nH]ccc3c2n1C1CCCCC1
Show InChI InChI=1S/C16H20N4O/c1-10(21)16-19-13-9-18-15-12(7-8-17-15)14(13)20(16)11-5-3-2-4-6-11/h7-11,21H,2-6H2,1H3,(H,17,18)/t10-/m0/s1
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n/an/an/an/a 5.30E+3n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in human TF1 cells assessed as inhibition of EPO-induced STAT5 phosphorylation incubated for 20 mins followed by IL6 challenge for...


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50434787
PNG
(CHEMBL2386635)
Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1
Show InChI InChI=1S/C18H21N5O/c1-11(24)18-22-15-10-21-17-14(7-9-20-17)16(15)23(18)13-4-2-12(3-5-13)6-8-19/h7,9-13,24H,2-6H2,1H3,(H,20,21)/t11-,12-,13-/m1/s1
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n/an/an/an/a 5.70n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-induced STAT3 phosphorylation incubated for 20 mins followed by IL6 challenge for...


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50434789
PNG
(CHEMBL2386633)
Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@@H](CC1)C#N
Show InChI InChI=1S/C17H19N5O/c1-10(23)17-21-14-9-20-16-13(6-7-19-16)15(14)22(17)12-4-2-11(8-18)3-5-12/h6-7,9-12,23H,2-5H2,1H3,(H,19,20)/t10-,11-,12-/m1/s1
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n/an/an/an/a 120n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-induced STAT3 phosphorylation incubated for 20 mins followed by IL6 challenge for...


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50434777
PNG
(CHEMBL2386645)
Show SMILES OC[C@@H](O)c1nc2cnc3[nH]ccc3c2n1C1CCCCC1
Show InChI InChI=1S/C16H20N4O2/c21-9-13(22)16-19-12-8-18-15-11(6-7-17-15)14(12)20(16)10-4-2-1-3-5-10/h6-8,10,13,21-22H,1-5,9H2,(H,17,18)/t13-/m1/s1
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n/an/an/an/a 69n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-induced STAT3 phosphorylation incubated for 20 mins followed by IL6 challenge for...


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50434778
PNG
(CHEMBL2386644)
Show SMILES OC[C@H](O)c1nc2cnc3[nH]ccc3c2n1C1CCCCC1
Show InChI InChI=1S/C16H20N4O2/c21-9-13(22)16-19-12-8-18-15-11(6-7-17-15)14(12)20(16)10-4-2-1-3-5-10/h6-8,10,13,21-22H,1-5,9H2,(H,17,18)/t13-/m0/s1
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n/an/an/an/a 320n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-induced STAT3 phosphorylation incubated for 20 mins followed by IL6 challenge for...


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50434780
PNG
(CHEMBL2386642)
Show SMILES CC[C@H](O)c1nc2cnc3[nH]ccc3c2n1C1CCCCC1
Show InChI InChI=1S/C17H22N4O/c1-2-14(22)17-20-13-10-19-16-12(8-9-18-16)15(13)21(17)11-6-4-3-5-7-11/h8-11,14,22H,2-7H2,1H3,(H,18,19)/t14-/m0/s1
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n/an/an/an/a 410n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-induced STAT3 phosphorylation incubated for 20 mins followed by IL6 challenge for...


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50434781
PNG
(CHEMBL2386641)
Show SMILES CC(C)(O)c1nc2cnc3[nH]ccc3c2n1C1CCCCC1
Show InChI InChI=1S/C17H22N4O/c1-17(2,22)16-20-13-10-19-15-12(8-9-18-15)14(13)21(16)11-6-4-3-5-7-11/h8-11,22H,3-7H2,1-2H3,(H,18,19)
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n/an/an/an/a 330n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-induced STAT3 phosphorylation incubated for 20 mins followed by IL6 challenge for...


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50434782
PNG
(CHEMBL2386640)
Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1C1CCCCC1
Show InChI InChI=1S/C16H20N4O/c1-10(21)16-19-13-9-18-15-12(7-8-17-15)14(13)20(16)11-5-3-2-4-6-11/h7-11,21H,2-6H2,1H3,(H,17,18)/t10-/m1/s1
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n/an/an/an/a 47n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-induced STAT3 phosphorylation incubated for 20 mins followed by IL6 challenge for...


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50434783
PNG
(CHEMBL2386639)
Show SMILES C[C@H](O)c1nc2cnc3[nH]ccc3c2n1C1CCCCC1
Show InChI InChI=1S/C16H20N4O/c1-10(21)16-19-13-9-18-15-12(7-8-17-15)14(13)20(16)11-5-3-2-4-6-11/h7-11,21H,2-6H2,1H3,(H,17,18)/t10-/m0/s1
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n/an/an/an/a 360n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-induced STAT3 phosphorylation incubated for 20 mins followed by IL6 challenge for...


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50393756
PNG
(CHEMBL2159198)
Show SMILES Cc1nc2cnc3[nH]ccc3c2n1C1CCCCC1
Show InChI InChI=1S/C15H18N4/c1-10-18-13-9-17-15-12(7-8-16-15)14(13)19(10)11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H,16,17)
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n/an/an/an/a 100n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-induced STAT3 phosphorylation incubated for 20 mins followed by IL6 challenge for...


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50434790
PNG
(CHEMBL2386632)
Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@@H](C1)NCC(F)(F)F
Show InChI InChI=1S/C17H20F3N5O/c1-9(26)16-24-13-7-22-15-12(4-5-21-15)14(13)25(16)11-3-2-10(6-11)23-8-17(18,19)20/h4-5,7,9-11,23,26H,2-3,6,8H2,1H3,(H,21,22)/t9-,10+,11+/m1/s1
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n/an/an/an/a 82n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-induced STAT3 phosphorylation incubated for 20 mins followed by IL6 challenge for...


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50434791
PNG
(CHEMBL2385096)
Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](C1)NCC(F)(F)F
Show InChI InChI=1S/C17H20F3N5O/c1-9(26)16-24-13-7-22-15-12(4-5-21-15)14(13)25(16)11-3-2-10(6-11)23-8-17(18,19)20/h4-5,7,9-11,23,26H,2-3,6,8H2,1H3,(H,21,22)/t9-,10-,11+/m1/s1
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n/an/an/an/a 51n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-induced STAT3 phosphorylation incubated for 20 mins followed by IL6 challenge for...


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50434782
PNG
(CHEMBL2386640)
Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1C1CCCCC1
Show InChI InChI=1S/C16H20N4O/c1-10(21)16-19-13-9-18-15-12(7-8-17-15)14(13)20(16)11-5-3-2-4-6-11/h7-11,21H,2-6H2,1H3,(H,17,18)/t10-/m1/s1
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n/an/an/an/a 330n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-induced STAT3 phosphorylation incubated for 20 mins followed by IL6 challenge for...


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%