Found 27 hits Enz. Inhib. hit(s) with all data for entry = 50012415 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50521316
(CHEMBL4560385)Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccc(F)cc2F)cc1)[C@@H]1CCCN(C1)C#N |r| Show InChI InChI=1S/C22H20F2N6O2/c23-14-5-8-18(17(24)10-14)32-16-6-3-13(4-7-16)20-19(22(27)31)21(26)30(28-20)15-2-1-9-29(11-15)12-25/h3-8,10,15H,1-2,9,11,26H2,(H2,27,31)/t15-/m1/s1 | PDB
MMDB
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| Article
PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BTK (unknown origin) One-hour enzymatic assay without pre-incubation |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127862
BindingDB Entry DOI: 10.7270/Q21V5JNK |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50357312
(IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...)Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C Show InChI InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m1/s1 | PDB
MMDB
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| DrugBank
PDB
Article
PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BTK (unknown origin) One-hour enzymatic assay without pre-incubation |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127862
BindingDB Entry DOI: 10.7270/Q21V5JNK |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50557487
(Tolebrutinib)Show SMILES Nc1nccc2n([C@@H]3CCCN(C3)C(=O)C=C)c(=O)n(-c3ccc(Oc4ccccc4)cc3)c12 | PDB
MMDB
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UniChem
| Article
PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human BTK in human microglia cells |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127862
BindingDB Entry DOI: 10.7270/Q21V5JNK |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50463838
(CHEMBL4238926)Show SMILES NC(=O)c1cnc2[nH]ccc2c1NC1C2CC3CC1CC(O)(C3)C2 |TLB:13:14:22:17.18.19,12:13:22.16.17:19,THB:15:16:19:23.14.13,15:14:22.16.17:19,13:18:22:23.15.14,(62.43,-6.04,;61.1,-6.81,;61.1,-8.35,;59.76,-6.04,;59.75,-4.49,;58.42,-3.73,;57.08,-4.5,;55.61,-4.03,;54.71,-5.28,;55.62,-6.53,;57.09,-6.04,;58.42,-6.82,;58.42,-8.36,;57.14,-9.21,;57.12,-10.75,;56.11,-12.03,;54.69,-11.48,;54.69,-9.88,;55.72,-8.64,;54.38,-9.11,;54.39,-10.61,;53.04,-9.84,;53.19,-11.89,;55.71,-11.09,)| Show InChI InChI=1S/C18H22N4O2/c19-16(23)13-8-21-17-12(1-2-20-17)15(13)22-14-10-3-9-4-11(14)7-18(24,5-9)6-10/h1-2,8-11,14,24H,3-7H2,(H2,19,23)(H2,20,21,22) | PDB
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| PDB
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| n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human JAK3 using Biotin-Lyn-Substrate-2 in presence of 1 mM ATP by phosphotyrosine-specific ELISA |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127862
BindingDB Entry DOI: 10.7270/Q21V5JNK |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50557485
(Prn-1008 | Prn1008 | Rilzabrutinib)Show SMILES CC(C)(\C=C(/C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12)N1CCN(CC1)C1COC1 | PDB
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| PDB
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| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BTK (unknown origin) One-hour enzymatic assay without pre-incubation |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127862
BindingDB Entry DOI: 10.7270/Q21V5JNK |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50369724
(HM71224 | Ly3337641 | Poseltinib)Show SMILES CN1CCN(CC1)c1ccc(Nc2nc(Oc3cccc(NC(=O)C=C)c3)c3occc3n2)cc1 Show InChI InChI=1S/C26H26N6O3/c1-3-23(33)27-19-5-4-6-21(17-19)35-25-24-22(11-16-34-24)29-26(30-25)28-18-7-9-20(10-8-18)32-14-12-31(2)13-15-32/h3-11,16-17H,1,12-15H2,2H3,(H,27,33)(H,28,29,30) | PDB
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| Article
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BTK (unknown origin) One-hour enzymatic assay without pre-incubation |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127862
BindingDB Entry DOI: 10.7270/Q21V5JNK |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50557483
(CHEMBL4782814)Show SMILES [H][C@]12C[C@]([H])(C[C@H](CC1)Nc1nc(Nc3cc(C)[nH]n3)cc3ncccc13)N2CCC#N |r,TLB:28:27:2:8.6.7.5| | PDB
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| PC cid
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human JAK1 assessed as phosphorylation level in presence of 1 mM ATP |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127862
BindingDB Entry DOI: 10.7270/Q21V5JNK |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50463838
(CHEMBL4238926)Show SMILES NC(=O)c1cnc2[nH]ccc2c1NC1C2CC3CC1CC(O)(C3)C2 |TLB:13:14:22:17.18.19,12:13:22.16.17:19,THB:15:16:19:23.14.13,15:14:22.16.17:19,13:18:22:23.15.14,(62.43,-6.04,;61.1,-6.81,;61.1,-8.35,;59.76,-6.04,;59.75,-4.49,;58.42,-3.73,;57.08,-4.5,;55.61,-4.03,;54.71,-5.28,;55.62,-6.53,;57.09,-6.04,;58.42,-6.82,;58.42,-8.36,;57.14,-9.21,;57.12,-10.75,;56.11,-12.03,;54.69,-11.48,;54.69,-9.88,;55.72,-8.64,;54.38,-9.11,;54.39,-10.61,;53.04,-9.84,;53.19,-11.89,;55.71,-11.09,)| Show InChI InChI=1S/C18H22N4O2/c19-16(23)13-8-21-17-12(1-2-20-17)15(13)22-14-10-3-9-4-11(14)7-18(24,5-9)6-10/h1-2,8-11,14,24H,3-7H2,(H2,19,23)(H2,20,21,22) | PDB
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| PDB
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human JAK1 using Biotin-Lyn-Substrate-2 in presence of 1 mM ATP by phosphotyrosine-specific ELISA |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127862
BindingDB Entry DOI: 10.7270/Q21V5JNK |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50463838
(CHEMBL4238926)Show SMILES NC(=O)c1cnc2[nH]ccc2c1NC1C2CC3CC1CC(O)(C3)C2 |TLB:13:14:22:17.18.19,12:13:22.16.17:19,THB:15:16:19:23.14.13,15:14:22.16.17:19,13:18:22:23.15.14,(62.43,-6.04,;61.1,-6.81,;61.1,-8.35,;59.76,-6.04,;59.75,-4.49,;58.42,-3.73,;57.08,-4.5,;55.61,-4.03,;54.71,-5.28,;55.62,-6.53,;57.09,-6.04,;58.42,-6.82,;58.42,-8.36,;57.14,-9.21,;57.12,-10.75,;56.11,-12.03,;54.69,-11.48,;54.69,-9.88,;55.72,-8.64,;54.38,-9.11,;54.39,-10.61,;53.04,-9.84,;53.19,-11.89,;55.71,-11.09,)| Show InChI InChI=1S/C18H22N4O2/c19-16(23)13-8-21-17-12(1-2-20-17)15(13)22-14-10-3-9-4-11(14)7-18(24,5-9)6-10/h1-2,8-11,14,24H,3-7H2,(H2,19,23)(H2,20,21,22) | PDB
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| PDB
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human JAK2 using Biotin-Lyn-Substrate-2 in presence of 1 mM ATP by phosphotyrosine-specific ELISA |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127862
BindingDB Entry DOI: 10.7270/Q21V5JNK |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50463838
(CHEMBL4238926)Show SMILES NC(=O)c1cnc2[nH]ccc2c1NC1C2CC3CC1CC(O)(C3)C2 |TLB:13:14:22:17.18.19,12:13:22.16.17:19,THB:15:16:19:23.14.13,15:14:22.16.17:19,13:18:22:23.15.14,(62.43,-6.04,;61.1,-6.81,;61.1,-8.35,;59.76,-6.04,;59.75,-4.49,;58.42,-3.73,;57.08,-4.5,;55.61,-4.03,;54.71,-5.28,;55.62,-6.53,;57.09,-6.04,;58.42,-6.82,;58.42,-8.36,;57.14,-9.21,;57.12,-10.75,;56.11,-12.03,;54.69,-11.48,;54.69,-9.88,;55.72,-8.64,;54.38,-9.11,;54.39,-10.61,;53.04,-9.84,;53.19,-11.89,;55.71,-11.09,)| Show InChI InChI=1S/C18H22N4O2/c19-16(23)13-8-21-17-12(1-2-20-17)15(13)22-14-10-3-9-4-11(14)7-18(24,5-9)6-10/h1-2,8-11,14,24H,3-7H2,(H2,19,23)(H2,20,21,22) | PDB
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human Tyk2 using Biotin-Lyn-Substrate-2 in presence of 1 mM ATP by phosphotyrosine-specific ELISA |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127862
BindingDB Entry DOI: 10.7270/Q21V5JNK |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50557486
(CHEMBL4747506)Show SMILES CC#CC(=O)N1CCC[C@@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r| | PDB
MMDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BTK (unknown origin) One-hour enzymatic assay with pre-incubation |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127862
BindingDB Entry DOI: 10.7270/Q21V5JNK |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50557482
(CHEMBL4747591)Show SMILES Cn1cc(Nc2nccc(n2)N2CC3CCC(C2)N3C(=O)[C@@H]2CC2(F)F)cn1 |r| | PDB
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| PC cid
PC sid
UniChem
| Article
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| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human JAK1 assessed as phosphorylation level in presence of 1 mM ATP |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127862
BindingDB Entry DOI: 10.7270/Q21V5JNK |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50557482
(CHEMBL4747591)Show SMILES Cn1cc(Nc2nccc(n2)N2CC3CCC(C2)N3C(=O)[C@@H]2CC2(F)F)cn1 |r| | PDB
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| PC cid
PC sid
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| Article
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| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human Tyk2 expressed in sf21 baculovirus expression system assessed as phosphorylation level in presence of 1 mM ATP |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127862
BindingDB Entry DOI: 10.7270/Q21V5JNK |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50557483
(CHEMBL4782814)Show SMILES [H][C@]12C[C@]([H])(C[C@H](CC1)Nc1nc(Nc3cc(C)[nH]n3)cc3ncccc13)N2CCC#N |r,TLB:28:27:2:8.6.7.5| | PDB
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| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human Tyk2 expressed in sf21 baculovirus expression system assessed as phosphorylation level in presence of 1 mM ATP |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127862
BindingDB Entry DOI: 10.7270/Q21V5JNK |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM209866
(PF-06651600 | US11111242, Example 5 | US2023034848...)Show SMILES C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ncnc2[nH]ccc12 |r| | PDB
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| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human JAK3 assessed as phosphorylation level in presence of 1 mM ATP |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127862
BindingDB Entry DOI: 10.7270/Q21V5JNK |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50557483
(CHEMBL4782814)Show SMILES [H][C@]12C[C@]([H])(C[C@H](CC1)Nc1nc(Nc3cc(C)[nH]n3)cc3ncccc13)N2CCC#N |r,TLB:28:27:2:8.6.7.5| | PDB
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| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human JAK2 assessed as phosphorylation level in presence of 1 mM ATP |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127862
BindingDB Entry DOI: 10.7270/Q21V5JNK |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50557484
(ABBV-105 | ABBV105 | Elsubrutinib)Show SMILES NC(=O)c1ccc([C@@H]2CCCN(C2)C(=O)C=C)c2cc[nH]c12 | PDB
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| Article
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| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BTK (unknown origin) One-hour enzymatic assay without pre-incubation |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127862
BindingDB Entry DOI: 10.7270/Q21V5JNK |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50557482
(CHEMBL4747591)Show SMILES Cn1cc(Nc2nccc(n2)N2CC3CCC(C2)N3C(=O)[C@@H]2CC2(F)F)cn1 |r| | PDB
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| PC cid
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UniChem
| Article
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| n/a | n/a | 77 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human JAK2 assessed as phosphorylation level in presence of 1 mM ATP |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127862
BindingDB Entry DOI: 10.7270/Q21V5JNK |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM103727
(US10112907, Example 00033 | US10206907, Compound 2...)Show SMILES O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1 Show InChI InChI=1S/C21H23N5O3S/c27-20(17-8-9-17)23-21-22-19-3-1-2-18(26(19)24-21)16-6-4-15(5-7-16)14-25-10-12-30(28,29)13-11-25/h1-7,17H,8-14H2,(H,23,24,27) | PDB
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| Article
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| n/a | n/a | 636 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human JAK1 assessed as phosphorylation level in presence of 1 mM ATP |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127862
BindingDB Entry DOI: 10.7270/Q21V5JNK |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50557483
(CHEMBL4782814)Show SMILES [H][C@]12C[C@]([H])(C[C@H](CC1)Nc1nc(Nc3cc(C)[nH]n3)cc3ncccc13)N2CCC#N |r,TLB:28:27:2:8.6.7.5| | PDB
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| n/a | n/a | 992 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human JAK3 assessed as phosphorylation level in presence of 1 mM ATP |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127862
BindingDB Entry DOI: 10.7270/Q21V5JNK |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM103727
(US10112907, Example 00033 | US10206907, Compound 2...)Show SMILES O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1 Show InChI InChI=1S/C21H23N5O3S/c27-20(17-8-9-17)23-21-22-19-3-1-2-18(26(19)24-21)16-6-4-15(5-7-16)14-25-10-12-30(28,29)13-11-25/h1-7,17H,8-14H2,(H,23,24,27) | PDB
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| PDB
Article
PubMed
| n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human JAK2 assessed as phosphorylation level in presence of 1 mM ATP |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127862
BindingDB Entry DOI: 10.7270/Q21V5JNK |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM103727
(US10112907, Example 00033 | US10206907, Compound 2...)Show SMILES O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1 Show InChI InChI=1S/C21H23N5O3S/c27-20(17-8-9-17)23-21-22-19-3-1-2-18(26(19)24-21)16-6-4-15(5-7-16)14-25-10-12-30(28,29)13-11-25/h1-7,17H,8-14H2,(H,23,24,27) | PDB
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| Article
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| n/a | n/a | 2.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human Tyk2 expressed in sf21 baculovirus expression system assessed as phosphorylation level in presence of 1 mM ATP |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127862
BindingDB Entry DOI: 10.7270/Q21V5JNK |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50557482
(CHEMBL4747591)Show SMILES Cn1cc(Nc2nccc(n2)N2CC3CCC(C2)N3C(=O)[C@@H]2CC2(F)F)cn1 |r| | PDB
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| n/a | n/a | 6.49E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human JAK3 assessed as phosphorylation level in presence of 1 mM ATP |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127862
BindingDB Entry DOI: 10.7270/Q21V5JNK |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM209866
(PF-06651600 | US11111242, Example 5 | US2023034848...)Show SMILES C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ncnc2[nH]ccc12 |r| | PDB
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UniChem
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human Tyk2 expressed in sf21 baculovirus expression system assessed as phosphorylation level in presence of 1 mM ATP |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127862
BindingDB Entry DOI: 10.7270/Q21V5JNK |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM103727
(US10112907, Example 00033 | US10206907, Compound 2...)Show SMILES O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1 Show InChI InChI=1S/C21H23N5O3S/c27-20(17-8-9-17)23-21-22-19-3-1-2-18(26(19)24-21)16-6-4-15(5-7-16)14-25-10-12-30(28,29)13-11-25/h1-7,17H,8-14H2,(H,23,24,27) | PDB
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| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human JAK3 assessed as phosphorylation level in presence of 1 mM ATP |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127862
BindingDB Entry DOI: 10.7270/Q21V5JNK |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM209866
(PF-06651600 | US11111242, Example 5 | US2023034848...)Show SMILES C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ncnc2[nH]ccc12 |r| | PDB
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UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human JAK2 assessed as phosphorylation level in presence of 1 mM ATP |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127862
BindingDB Entry DOI: 10.7270/Q21V5JNK |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM209866
(PF-06651600 | US11111242, Example 5 | US2023034848...)Show SMILES C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ncnc2[nH]ccc12 |r| | PDB
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PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human JAK1 assessed as phosphorylation level in presence of 1 mM ATP |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127862
BindingDB Entry DOI: 10.7270/Q21V5JNK |
More data for this
Ligand-Target Pair | |
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