Found 34 hits Enz. Inhib. hit(s) with all data for entry = 11284 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 JAK2
(Homo sapiens (Human)) | BDBM350089
(((S)-2-(6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-in...)Show SMILES CCCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC |r| Show InChI InChI=1S/C31H34FN7O2/c1-4-8-38-16-26-25(13-27(38)31(41)39-15-19-11-20(39)14-37(19)3)33-30(34-26)29-21-7-6-18(9-24(21)35-36-29)22-12-23(32)28(40)10-17(22)5-2/h6-7,9-10,12,19-20,27,40H,4-5,8,11,13-16H2,1-3H3/b30-29-/t19-,20-,27-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20C50QQ |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM350090
(((S)-3-(dimethylamino)pyrrolidin-1-yl)((S)-5-ethyl...)Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(Cc2[nH]1)C(C)C)C(=O)N1CC[C@@H](C1)N(C)C |r| Show InChI InChI=1S/C31H36FN7O2/c1-6-18-12-28(40)23(32)13-22(18)19-7-8-21-24(11-19)35-36-29(21)30-33-25-14-27(39(17(2)3)16-26(25)34-30)31(41)38-10-9-20(15-38)37(4)5/h7-8,11-13,17,20,27,40H,6,9-10,14-16H2,1-5H3/b30-29-/t20-,27-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20C50QQ |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM604911
(US11667637, Example 9-21)Show SMILES CCCN1Cc2[nH]c(nc2C[C@@H]1C(=O)N1CC[C@@H](C1)N(C)C)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC |r| | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20C50QQ |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM604898
(US11667637, Example 1-2)Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](NCc2[nH]1)C(=O)N1CCN(CC1)C(C)C |r| | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20C50QQ |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM539141
(US11254669, Example 1-37 | US11667637, Example 1-3...)Show SMILES CCN1Cc2[nH]c(nc2C[C@@H]1C(=O)N1CCN(CC1)C(C)(C)C)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC |r| | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20C50QQ |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM604898
(US11667637, Example 1-2)Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](NCc2[nH]1)C(=O)N1CCN(CC1)C(C)C |r| | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20C50QQ |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM350089
(((S)-2-(6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-in...)Show SMILES CCCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC |r| Show InChI InChI=1S/C31H34FN7O2/c1-4-8-38-16-26-25(13-27(38)31(41)39-15-19-11-20(39)14-37(19)3)33-30(34-26)29-21-7-6-18(9-24(21)35-36-29)22-12-23(32)28(40)10-17(22)5-2/h6-7,9-10,12,19-20,27,40H,4-5,8,11,13-16H2,1-3H3/b30-29-/t19-,20-,27-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20C50QQ |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM350090
(((S)-3-(dimethylamino)pyrrolidin-1-yl)((S)-5-ethyl...)Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(Cc2[nH]1)C(C)C)C(=O)N1CC[C@@H](C1)N(C)C |r| Show InChI InChI=1S/C31H36FN7O2/c1-6-18-12-28(40)23(32)13-22(18)19-7-8-21-24(11-19)35-36-29(21)30-33-25-14-27(39(17(2)3)16-26(25)34-30)31(41)38-10-9-20(15-38)37(4)5/h7-8,11-13,17,20,27,40H,6,9-10,14-16H2,1-5H3/b30-29-/t20-,27-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20C50QQ |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM350099
(US10208040, Example 12-14 | US11254669, Example 12...)Show SMILES CCN(CC)CCN(C)C(=O)[C@H]1Cc2nc([nH]c2CN1CC)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC |r| Show InChI InChI=1S/C31H38FN7O2/c1-6-19-15-28(40)23(32)16-22(19)20-10-11-21-24(14-20)35-36-29(21)30-33-25-17-27(39(9-4)18-26(25)34-30)31(41)37(5)12-13-38(7-2)8-3/h10-11,14-16,27,40H,6-9,12-13,17-18H2,1-5H3/b30-29-/t27-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20C50QQ |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM604911
(US11667637, Example 9-21)Show SMILES CCCN1Cc2[nH]c(nc2C[C@@H]1C(=O)N1CC[C@@H](C1)N(C)C)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC |r| | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20C50QQ |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM472917
(US10836763, Example C-3 | US11254669, Example 2-15...)Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(C)Cc2[nH]1)C(=O)N1CCN(C)C[C@@H]1C |r| Show InChI InChI=1S/C29H32FN7O2/c1-5-17-11-26(38)21(30)12-20(17)18-6-7-19-22(10-18)33-34-27(19)28-31-23-13-25(36(4)15-24(23)32-28)29(39)37-9-8-35(3)14-16(37)2/h6-7,10-12,16,25,38H,5,8-9,13-15H2,1-4H3/b28-27-/t16-,25-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20C50QQ |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM350095
(US10208040, Example 1-12 | US11254669, Example 1-1...)Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(C)Cc2[nH]1)C(=O)N1CCN(CC1)C(C)C |r| Show InChI InChI=1S/C30H34FN7O2/c1-5-18-13-27(39)22(31)14-21(18)19-6-7-20-23(12-19)34-35-28(20)29-32-24-15-26(36(4)16-25(24)33-29)30(40)38-10-8-37(9-11-38)17(2)3/h6-7,12-14,17,26,39H,5,8-11,15-16H2,1-4H3/b29-28-/t26-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20C50QQ |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM350095
(US10208040, Example 1-12 | US11254669, Example 1-1...)Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(C)Cc2[nH]1)C(=O)N1CCN(CC1)C(C)C |r| Show InChI InChI=1S/C30H34FN7O2/c1-5-18-13-27(39)22(31)14-21(18)19-6-7-20-23(12-19)34-35-28(20)29-32-24-15-26(36(4)16-25(24)33-29)30(40)38-10-8-37(9-11-38)17(2)3/h6-7,12-14,17,26,39H,5,8-11,15-16H2,1-4H3/b29-28-/t26-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20C50QQ |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM604895
(US11667637, Example 7)Show SMILES CCCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1CCN(CCO)C[C@H]1C)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC |r| | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20C50QQ |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM350091
((S)-(2-(6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-in...)Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(Cc2[nH]1)C(C)C)C(=O)N1CCCN(C)CC1 |r| Show InChI InChI=1S/C31H36FN7O2/c1-5-19-14-28(40)23(32)15-22(19)20-7-8-21-24(13-20)35-36-29(21)30-33-25-16-27(39(18(2)3)17-26(25)34-30)31(41)38-10-6-9-37(4)11-12-38/h7-8,13-15,18,27,40H,5-6,9-12,16-17H2,1-4H3/b30-29-/t27-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20C50QQ |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM350089
(((S)-2-(6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-in...)Show SMILES CCCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC |r| Show InChI InChI=1S/C31H34FN7O2/c1-4-8-38-16-26-25(13-27(38)31(41)39-15-19-11-20(39)14-37(19)3)33-30(34-26)29-21-7-6-18(9-24(21)35-36-29)22-12-23(32)28(40)10-17(22)5-2/h6-7,9-10,12,19-20,27,40H,4-5,8,11,13-16H2,1-3H3/b30-29-/t19-,20-,27-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20C50QQ |
More data for this Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM604898
(US11667637, Example 1-2)Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](NCc2[nH]1)C(=O)N1CCN(CC1)C(C)C |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20C50QQ |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM539141
(US11254669, Example 1-37 | US11667637, Example 1-3...)Show SMILES CCN1Cc2[nH]c(nc2C[C@@H]1C(=O)N1CCN(CC1)C(C)(C)C)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC |r| | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20C50QQ |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM350092
(((S)-2-(6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-in...)Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(C)Cc2[nH]1)C(=O)N1CCN(CCO)C[C@H]1C |r| Show InChI InChI=1S/C30H34FN7O3/c1-4-18-12-27(40)22(31)13-21(18)19-5-6-20-23(11-19)34-35-28(20)29-32-24-14-26(36(3)16-25(24)33-29)30(41)38-8-7-37(9-10-39)15-17(38)2/h5-6,11-13,17,26,39-40H,4,7-10,14-16H2,1-3H3/b29-28-/t17-,26+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20C50QQ |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM350090
(((S)-3-(dimethylamino)pyrrolidin-1-yl)((S)-5-ethyl...)Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(Cc2[nH]1)C(C)C)C(=O)N1CC[C@@H](C1)N(C)C |r| Show InChI InChI=1S/C31H36FN7O2/c1-6-18-12-28(40)23(32)13-22(18)19-7-8-21-24(11-19)35-36-29(21)30-33-25-14-27(39(17(2)3)16-26(25)34-30)31(41)38-10-9-20(15-38)37(4)5/h7-8,11-13,17,20,27,40H,6,9-10,14-16H2,1-5H3/b30-29-/t20-,27-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20C50QQ |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM472917
(US10836763, Example C-3 | US11254669, Example 2-15...)Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(C)Cc2[nH]1)C(=O)N1CCN(C)C[C@@H]1C |r| Show InChI InChI=1S/C29H32FN7O2/c1-5-17-11-26(38)21(30)12-20(17)18-6-7-19-22(10-18)33-34-27(19)28-31-23-13-25(36(4)15-24(23)32-28)29(39)37-9-8-35(3)14-16(37)2/h6-7,10-12,16,25,38H,5,8-9,13-15H2,1-4H3/b28-27-/t16-,25-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 0.160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20C50QQ |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM604895
(US11667637, Example 7)Show SMILES CCCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1CCN(CCO)C[C@H]1C)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC |r| | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 0.160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20C50QQ |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM604898
(US11667637, Example 1-2)Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](NCc2[nH]1)C(=O)N1CCN(CC1)C(C)C |r| | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 0.160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20C50QQ |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM350091
((S)-(2-(6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-in...)Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(Cc2[nH]1)C(C)C)C(=O)N1CCCN(C)CC1 |r| Show InChI InChI=1S/C31H36FN7O2/c1-5-19-14-28(40)23(32)15-22(19)20-7-8-21-24(13-20)35-36-29(21)30-33-25-16-27(39(18(2)3)17-26(25)34-30)31(41)38-10-6-9-37(4)11-12-38/h7-8,13-15,18,27,40H,5-6,9-12,16-17H2,1-4H3/b30-29-/t27-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20C50QQ |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM350099
(US10208040, Example 12-14 | US11254669, Example 12...)Show SMILES CCN(CC)CCN(C)C(=O)[C@H]1Cc2nc([nH]c2CN1CC)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC |r| Show InChI InChI=1S/C31H38FN7O2/c1-6-19-15-28(40)23(32)16-22(19)20-10-11-21-24(14-20)35-36-29(21)30-33-25-17-27(39(9-4)18-26(25)34-30)31(41)37(5)12-13-38(7-2)8-3/h10-11,14-16,27,40H,6-9,12-13,17-18H2,1-5H3/b30-29-/t27-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20C50QQ |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM604911
(US11667637, Example 9-21)Show SMILES CCCN1Cc2[nH]c(nc2C[C@@H]1C(=O)N1CC[C@@H](C1)N(C)C)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC |r| | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 0.25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20C50QQ |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM350092
(((S)-2-(6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-in...)Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(C)Cc2[nH]1)C(=O)N1CCN(CCO)C[C@H]1C |r| Show InChI InChI=1S/C30H34FN7O3/c1-4-18-12-27(40)22(31)13-21(18)19-5-6-20-23(11-19)34-35-28(20)29-32-24-14-26(36(3)16-25(24)33-29)30(41)38-8-7-37(9-10-39)15-17(38)2/h5-6,11-13,17,26,39-40H,4,7-10,14-16H2,1-3H3/b29-28-/t17-,26+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 0.25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20C50QQ |
More data for this Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM350095
(US10208040, Example 1-12 | US11254669, Example 1-1...)Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(C)Cc2[nH]1)C(=O)N1CCN(CC1)C(C)C |r| Show InChI InChI=1S/C30H34FN7O2/c1-5-18-13-27(39)22(31)14-21(18)19-6-7-20-23(12-19)34-35-28(20)29-32-24-15-26(36(4)16-25(24)33-29)30(40)38-10-8-37(9-11-38)17(2)3/h6-7,12-14,17,26,39H,5,8-11,15-16H2,1-4H3/b29-28-/t26-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 0.25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20C50QQ |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM350095
(US10208040, Example 1-12 | US11254669, Example 1-1...)Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(C)Cc2[nH]1)C(=O)N1CCN(CC1)C(C)C |r| Show InChI InChI=1S/C30H34FN7O2/c1-5-18-13-27(39)22(31)14-21(18)19-6-7-20-23(12-19)34-35-28(20)29-32-24-15-26(36(4)16-25(24)33-29)30(40)38-10-8-37(9-11-38)17(2)3/h6-7,12-14,17,26,39H,5,8-11,15-16H2,1-4H3/b29-28-/t26-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 0.25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20C50QQ |
More data for this Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM350089
(((S)-2-(6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-in...)Show SMILES CCCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC |r| Show InChI InChI=1S/C31H34FN7O2/c1-4-8-38-16-26-25(13-27(38)31(41)39-15-19-11-20(39)14-37(19)3)33-30(34-26)29-21-7-6-18(9-24(21)35-36-29)22-12-23(32)28(40)10-17(22)5-2/h6-7,9-10,12,19-20,27,40H,4-5,8,11,13-16H2,1-3H3/b30-29-/t19-,20-,27-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 0.25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20C50QQ |
More data for this Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM350090
(((S)-3-(dimethylamino)pyrrolidin-1-yl)((S)-5-ethyl...)Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(Cc2[nH]1)C(C)C)C(=O)N1CC[C@@H](C1)N(C)C |r| Show InChI InChI=1S/C31H36FN7O2/c1-6-18-12-28(40)23(32)13-22(18)19-7-8-21-24(11-19)35-36-29(21)30-33-25-14-27(39(17(2)3)16-26(25)34-30)31(41)38-10-9-20(15-38)37(4)5/h7-8,11-13,17,20,27,40H,6,9-10,14-16H2,1-5H3/b30-29-/t20-,27-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20C50QQ |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM539141
(US11254669, Example 1-37 | US11667637, Example 1-3...)Show SMILES CCN1Cc2[nH]c(nc2C[C@@H]1C(=O)N1CCN(CC1)C(C)(C)C)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC |r| | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20C50QQ |
More data for this Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM604911
(US11667637, Example 9-21)Show SMILES CCCN1Cc2[nH]c(nc2C[C@@H]1C(=O)N1CC[C@@H](C1)N(C)C)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20C50QQ |
More data for this Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM539141
(US11254669, Example 1-37 | US11667637, Example 1-3...)Show SMILES CCN1Cc2[nH]c(nc2C[C@@H]1C(=O)N1CCN(CC1)C(C)(C)C)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 1.26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20C50QQ |
More data for this Ligand-Target Pair | |