Found 370 hits of Enzyme Inhibition Constant Data 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 |
|---|
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50239499
(CHEMBL4081711 | US10329302, Example 344 | US107935...)Show SMILES CC[C@H]1[C@@H](COc2nccc3cc(C(N)=O)c(OC)cc23)NC(=O)[C@H]1F |r| Show InChI InChI=1S/C18H20FN3O4/c1-3-10-13(22-17(24)15(10)19)8-26-18-11-7-14(25-2)12(16(20)23)6-9(11)4-5-21-18/h4-7,10,13,15H,3,8H2,1-2H3,(H2,20,23)(H,22,24)/t10-,13+,15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q27D308N |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM403214
(US10329302, Example 370 | US10793579, Example 370 ...)Show SMILES COc1cc2c(OC[C@H]3NC(=O)[C@@H](F)[C@H]3CCF)nccc2cc1C(N)=O |r| Show InChI InChI=1S/C18H19F2N3O4/c1-26-14-7-11-9(6-12(14)16(21)24)3-5-22-18(11)27-8-13-10(2-4-19)15(20)17(25)23-13/h3,5-7,10,13,15H,2,4,8H2,1H3,(H2,21,24)(H,23,25)/t10-,13+,15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q27D308N |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM403204
(US10329302, Example 360 | US10793579, Example 360 ...)Show SMILES CC[C@H]1[C@@H](COc2ncc(F)c3cc(C(N)=O)c(OC)cc23)NC(=O)[C@H]1F |r| Show InChI InChI=1S/C18H19F2N3O4/c1-3-8-13(23-17(25)15(8)20)7-27-18-10-5-14(26-2)11(16(21)24)4-9(10)12(19)6-22-18/h4-6,8,13,15H,3,7H2,1-2H3,(H2,21,24)(H,23,25)/t8-,13+,15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q27D308N |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50239500
(CHEMBL4066705 | US10329302, Example 337 | US107935...)Show SMILES CC[C@H]1[C@@H](COc2nccc3cc(C(N)=O)c(OC)cc23)NC(=O)[C@@H]1F |r| Show InChI InChI=1S/C18H20FN3O4/c1-3-10-13(22-17(24)15(10)19)8-26-18-11-7-14(25-2)12(16(20)23)6-9(11)4-5-21-18/h4-7,10,13,15H,3,8H2,1-2H3,(H2,20,23)(H,22,24)/t10-,13+,15+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q27D308N |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM402999
(US10329302, Example 146 | US10793579, Example 146 ...)Show SMILES COc1cc2c(OC[C@@H]3CC(F)(F)C(=O)N3)nccc2cc1C(N)=O |r| Show InChI InChI=1S/C16H15F2N3O4/c1-24-12-5-10-8(4-11(12)13(19)22)2-3-20-14(10)25-7-9-6-16(17,18)15(23)21-9/h2-5,9H,6-7H2,1H3,(H2,19,22)(H,21,23)/t9-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q27D308N |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM403169
(US10329302, Example 323 | US10793579, Example 323 ...)Show SMILES COc1cc2c(OC[C@H]3NC(=O)[C@]4(F)[C@@H](C)[C@H]34)ccnc2cc1C(N)=O |r| Show InChI InChI=1S/C18H18FN3O4/c1-8-15-12(22-17(24)18(8,15)19)7-26-13-3-4-21-11-5-10(16(20)23)14(25-2)6-9(11)13/h3-6,8,12,15H,7H2,1-2H3,(H2,20,23)(H,22,24)/t8-,12+,15+,18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q27D308N |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM403035
(US10329302, Example 183 | US10793579, Example 183 ...)Show SMILES CC(C)Oc1cc2c(OC[C@H]3NC(=O)C(F)(F)[C@H]3C)nccc2cc1C(N)=O |r| Show InChI InChI=1S/C19H21F2N3O4/c1-9(2)28-15-7-12-11(6-13(15)16(22)25)4-5-23-17(12)27-8-14-10(3)19(20,21)18(26)24-14/h4-7,9-10,14H,8H2,1-3H3,(H2,22,25)(H,24,26)/t10-,14+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q27D308N |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM403189
(US10329302, Example 345 | US10793579, Example 345 ...)Show SMILES CC[C@H]1[C@@H](COc2nccc3cc(C(N)=O)c(OC)cc23)NC(=O)C1(F)F |r| Show InChI InChI=1S/C18H19F2N3O4/c1-3-12-13(23-17(25)18(12,19)20)8-27-16-10-7-14(26-2)11(15(21)24)6-9(10)4-5-22-16/h4-7,12-13H,3,8H2,1-2H3,(H2,21,24)(H,23,25)/t12-,13+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q27D308N |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50239499
(CHEMBL4081711 | US10329302, Example 344 | US107935...)Show SMILES CC[C@H]1[C@@H](COc2nccc3cc(C(N)=O)c(OC)cc23)NC(=O)[C@H]1F |r| Show InChI InChI=1S/C18H20FN3O4/c1-3-10-13(22-17(24)15(10)19)8-26-18-11-7-14(25-2)12(16(20)23)6-9(11)4-5-21-18/h4-7,10,13,15H,3,8H2,1-2H3,(H2,20,23)(H,22,24)/t10-,13+,15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q27D308N |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50239499
(CHEMBL4081711 | US10329302, Example 344 | US107935...)Show SMILES CC[C@H]1[C@@H](COc2nccc3cc(C(N)=O)c(OC)cc23)NC(=O)[C@H]1F |r| Show InChI InChI=1S/C18H20FN3O4/c1-3-10-13(22-17(24)15(10)19)8-26-18-11-7-14(25-2)12(16(20)23)6-9(11)4-5-21-18/h4-7,10,13,15H,3,8H2,1-2H3,(H2,20,23)(H,22,24)/t10-,13+,15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q27D308N |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50239499
(CHEMBL4081711 | US10329302, Example 344 | US107935...)Show SMILES CC[C@H]1[C@@H](COc2nccc3cc(C(N)=O)c(OC)cc23)NC(=O)[C@H]1F |r| Show InChI InChI=1S/C18H20FN3O4/c1-3-10-13(22-17(24)15(10)19)8-26-18-11-7-14(25-2)12(16(20)23)6-9(11)4-5-21-18/h4-7,10,13,15H,3,8H2,1-2H3,(H2,20,23)(H,22,24)/t10-,13+,15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q27D308N |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM403180
(US10329302, Example 336 | US10793579, Example 336 ...)Show SMILES COc1cc2c(OC[C@H]3NC(=O)[C@H]4[C@@H]3[C@@]4(C)F)nccc2cc1C(N)=O |r| Show InChI InChI=1S/C18H18FN3O4/c1-18(19)13-11(22-16(24)14(13)18)7-26-17-9-6-12(25-2)10(15(20)23)5-8(9)3-4-21-17/h3-6,11,13-14H,7H2,1-2H3,(H2,20,23)(H,22,24)/t11-,13-,14-,18-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q27D308N |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50239498
(CHEMBL4093120 | US10329302, Example 189 | US107935...)Show SMILES COc1cc2c(OC[C@H]3NC(=O)[C@@H](F)[C@H]3C)nccc2cc1C(N)=O |r| Show InChI InChI=1S/C17H18FN3O4/c1-8-12(21-16(23)14(8)18)7-25-17-10-6-13(24-2)11(15(19)22)5-9(10)3-4-20-17/h3-6,8,12,14H,7H2,1-2H3,(H2,19,22)(H,21,23)/t8-,12+,14-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
| | n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q27D308N |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM403212
(US10329302, Example 368 | US10793579, Example 368 ...)Show SMILES COc1cc2c(OC[C@H]3NC(=O)[C@@H](F)[C@H]3C3CC3)nccc2cc1C(N)=O |r| Show InChI InChI=1S/C19H20FN3O4/c1-26-14-7-11-10(6-12(14)17(21)24)4-5-22-19(11)27-8-13-15(9-2-3-9)16(20)18(25)23-13/h4-7,9,13,15-16H,2-3,8H2,1H3,(H2,21,24)(H,23,25)/t13-,15+,16+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q27D308N |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM403219
(US10329302, Example 375 | US10793579, Example 375 ...)Show SMILES COc1cc2c(OC[C@H]3NC(=O)[C@H](F)[C@H]3CF)nccc2cc1C(N)=O |r| Show InChI InChI=1S/C17H17F2N3O4/c1-25-13-5-9-8(4-10(13)15(20)23)2-3-21-17(9)26-7-12-11(6-18)14(19)16(24)22-12/h2-5,11-12,14H,6-7H2,1H3,(H2,20,23)(H,22,24)/t11-,12+,14+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q27D308N |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM402981
(US10329302, Example 128 | US10793579, Example 128 ...)Show SMILES CC(C)Oc1cc2c(OC[C@@H]3CC(F)(F)C(=O)N3)nccc2cc1C(N)=O |r| Show InChI InChI=1S/C18H19F2N3O4/c1-9(2)27-14-6-12-10(5-13(14)15(21)24)3-4-22-16(12)26-8-11-7-18(19,20)17(25)23-11/h3-6,9,11H,7-8H2,1-2H3,(H2,21,24)(H,23,25)/t11-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q27D308N |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM403080
(US10329302, Example 233 | US10793579, Example 233 ...)Show SMILES COc1cc2c(OC[C@@H]3COC(=O)N3)cccc2cc1C(N)=O |r| Show InChI InChI=1S/C16H16N2O5/c1-21-14-6-11-9(5-12(14)15(17)19)3-2-4-13(11)22-7-10-8-23-16(20)18-10/h2-6,10H,7-8H2,1H3,(H2,17,19)(H,18,20)/t10-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q27D308N |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM403185
(US10329302, Example 341 | US10793579, Example 341 ...)Show SMILES CC[C@H]1[C@@H](COc2ncnc3cc(C(N)=O)c(OC)cc23)NC(=O)[C@H]1F |r| Show InChI InChI=1S/C17H19FN4O4/c1-3-8-12(22-16(24)14(8)18)6-26-17-9-5-13(25-2)10(15(19)23)4-11(9)20-7-21-17/h4-5,7-8,12,14H,3,6H2,1-2H3,(H2,19,23)(H,22,24)/t8-,12+,14-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q27D308N |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM403177
(US10329302, Example 333 | US10793579, Example 333 ...)Show SMILES COc1cc2c(OC[C@H]3NC(=O)[C@@H]4[C@@H](CF)[C@H]34)ccnc2cc1C(N)=O |r| Show InChI InChI=1S/C18H18FN3O4/c1-25-14-5-8-11(4-9(14)17(20)23)21-3-2-13(8)26-7-12-15-10(6-19)16(15)18(24)22-12/h2-5,10,12,15-16H,6-7H2,1H3,(H2,20,23)(H,22,24)/t10-,12+,15+,16+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q27D308N |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM403065
(US10329302, Example 218 | US10793579, Example 218 ...)Show SMILES COc1cc2c(OC[C@H]3NC(=O)[C@@H](F)[C@H]3C)cccc2cc1C(N)=O |r| Show InChI InChI=1S/C18H19FN2O4/c1-9-13(21-18(23)16(9)19)8-25-14-5-3-4-10-6-12(17(20)22)15(24-2)7-11(10)14/h3-7,9,13,16H,8H2,1-2H3,(H2,20,22)(H,21,23)/t9-,13+,16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q27D308N |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM403163
(US10329302, Example 317 | US10329302, Example 325 ...)Show SMILES COc1cc2c(OC[C@H]3NC(=O)[C@]4(F)C[C@H]34)ccnc2cc1C(N)=O |r| Show InChI InChI=1S/C17H16FN3O4/c1-24-14-5-8-11(4-9(14)15(19)22)20-3-2-13(8)25-7-12-10-6-17(10,18)16(23)21-12/h2-5,10,12H,6-7H2,1H3,(H2,19,22)(H,21,23)/t10-,12-,17+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q27D308N |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM403064
(US10329302, Example 216 | US10793579, Example 216 ...)Show SMILES COc1cc2c(OC[C@H]3NC(=O)C[C@H]3C)cccc2cc1C(N)=O |r| Show InChI InChI=1S/C18H20N2O4/c1-10-6-17(21)20-14(10)9-24-15-5-3-4-11-7-13(18(19)22)16(23-2)8-12(11)15/h3-5,7-8,10,14H,6,9H2,1-2H3,(H2,19,22)(H,20,21)/t10-,14-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q27D308N |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM403203
(US10329302, Example 359 | US10793579, Example 359 ...)Show SMILES CCOc1cc2c(OC[C@H]3NC(=O)[C@@H](F)[C@H]3CC)nccc2cc1C(N)=O |r| Show InChI InChI=1S/C19H22FN3O4/c1-3-11-14(23-18(25)16(11)20)9-27-19-12-8-15(26-4-2)13(17(21)24)7-10(12)5-6-22-19/h5-8,11,14,16H,3-4,9H2,1-2H3,(H2,21,24)(H,23,25)/t11-,14+,16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q27D308N |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM403050
(US10329302, Example 201 | US10793579, Example 201 ...)Show SMILES CC[C@H]1[C@@H](COc2nccc3cc(C(N)=O)c(OC(C)C)cc23)NC(=O)C1(F)F |r| Show InChI InChI=1S/C20H23F2N3O4/c1-4-14-15(25-19(27)20(14,21)22)9-28-18-12-8-16(29-10(2)3)13(17(23)26)7-11(12)5-6-24-18/h5-8,10,14-15H,4,9H2,1-3H3,(H2,23,26)(H,25,27)/t14-,15+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q27D308N |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM402998
(US10329302, Example 145 | US10793579, Example 145 ...)Show SMILES CC(C)Oc1cc2c(OC[C@@H]3C[C@H](F)C(=O)N3)nccc2cc1C(N)=O |r| Show InChI InChI=1S/C18H20FN3O4/c1-9(2)26-15-7-12-10(5-13(15)16(20)23)3-4-21-18(12)25-8-11-6-14(19)17(24)22-11/h3-5,7,9,11,14H,6,8H2,1-2H3,(H2,20,23)(H,22,24)/t11-,14-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q27D308N |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM403211
(US10329302, Example 367 | US10793579, Example 367 ...)Show SMILES COc1cc2c(OC[C@H]3NC(=O)[C@@H](F)[C@H]3CF)nccc2cc1C(N)=O |r| Show InChI InChI=1S/C17H17F2N3O4/c1-25-13-5-9-8(4-10(13)15(20)23)2-3-21-17(9)26-7-12-11(6-18)14(19)16(24)22-12/h2-5,11-12,14H,6-7H2,1H3,(H2,20,23)(H,22,24)/t11-,12+,14-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q27D308N |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM403202
(US10329302, Example 358 | US10793579, Example 358 ...)Show SMILES CC[C@H]1[C@@H](COc2nccc3cc(C(N)=O)c(OC(C)C)cc23)NC(=O)[C@H]1F |r| Show InChI InChI=1S/C20H24FN3O4/c1-4-12-15(24-19(26)17(12)21)9-27-20-13-8-16(28-10(2)3)14(18(22)25)7-11(13)5-6-23-20/h5-8,10,12,15,17H,4,9H2,1-3H3,(H2,22,25)(H,24,26)/t12-,15+,17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q27D308N |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50239507
(CHEMBL4091434 | US10329302, Example 246 | US107935...)Show SMILES CC[C@@H]1CC(=O)N[C@@H]1COc1nccc2cc(C(N)=O)c(OC)cc12 |r| Show InChI InChI=1S/C18H21N3O4/c1-3-10-7-16(22)21-14(10)9-25-18-12-8-15(24-2)13(17(19)23)6-11(12)4-5-20-18/h4-6,8,10,14H,3,7,9H2,1-2H3,(H2,19,23)(H,21,22)/t10-,14-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q27D308N |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM403197
(US10329302, Example 353 | US10793579, Example 353 ...)Show SMILES CC[C@H]1[C@@H](COc2nccc3cc(C(N)=O)c(OC)cc23)NC(=O)[C@@H]1O |r| Show InChI InChI=1S/C18H21N3O5/c1-3-10-13(21-17(24)15(10)22)8-26-18-11-7-14(25-2)12(16(19)23)6-9(11)4-5-20-18/h4-7,10,13,15,22H,3,8H2,1-2H3,(H2,19,23)(H,21,24)/t10-,13+,15+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q27D308N |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50239508
(CHEMBL4085199 | US10329302, Example 309 | US107935...)Show SMILES [H][C@]12[C@H](C)[C@@]1(F)C(=O)N[C@@H]2COc1nccc2cc(C(N)=O)c(OC)cc12 |r| Show InChI InChI=1S/C18H18FN3O4/c1-8-14-12(22-17(24)18(8,14)19)7-26-16-10-6-13(25-2)11(15(20)23)5-9(10)3-4-21-16/h3-6,8,12,14H,7H2,1-2H3,(H2,20,23)(H,22,24)/t8-,12+,14+,18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q27D308N |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM403116
(US10329302, Example 269 | US10793579, Example 269 ...)Show SMILES CC(C)Oc1cc2c(OC[C@@H]3C[C@](C)(F)C(=O)N3)ccnc2cc1C(N)=O |r| Show InChI InChI=1S/C19H22FN3O4/c1-10(2)27-16-7-12-14(6-13(16)17(21)24)22-5-4-15(12)26-9-11-8-19(3,20)18(25)23-11/h4-7,10-11H,8-9H2,1-3H3,(H2,21,24)(H,23,25)/t11-,19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q27D308N |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM403170
(US10329302, Example 324 | US10793579, Example 324 ...)Show SMILES COc1cc2c(OC[C@H]3NC(=O)[C@@H]4[C@@H](F)[C@H]34)ccnc2cc1C(N)=O |r| Show InChI InChI=1S/C17H16FN3O4/c1-24-12-5-7-9(4-8(12)16(19)22)20-3-2-11(7)25-6-10-13-14(15(13)18)17(23)21-10/h2-5,10,13-15H,6H2,1H3,(H2,19,22)(H,21,23)/t10-,13-,14+,15+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q27D308N |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM466203
(US10793579, Example 317 | US11702424, Example 317)Show SMILES COc1cc2c(OC[C@H]3NC(=O)[C@]4(F)C[C@H]34)nccc2cc1C(N)=O |r| Show InChI InChI=1S/C17H16FN3O4/c1-24-13-5-9-8(4-10(13)14(19)22)2-3-20-15(9)25-7-12-11-6-17(11,18)16(23)21-12/h2-5,11-12H,6-7H2,1H3,(H2,19,22)(H,21,23)/t11-,12-,17+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q27D308N |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM403097
(US10329302, Example 250 | US10793579, Example 250 ...)Show SMILES COc1cc2c(OC[C@H]3NC(=O)[C@@H](F)[C@H]3C)ccnc2cc1C(N)=O |r| Show InChI InChI=1S/C17H18FN3O4/c1-8-12(21-17(23)15(8)18)7-25-13-3-4-20-11-5-10(16(19)22)14(24-2)6-9(11)13/h3-6,8,12,15H,7H2,1-2H3,(H2,19,22)(H,21,23)/t8-,12+,15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q27D308N |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM403191
(US10329302, Example 347 | US10793579, Example 347 ...)Show SMILES COC[C@H]1[C@@H](COc2nccc3cc(C(N)=O)c(OC)cc23)NC(=O)C1(F)F |r| Show InChI InChI=1S/C18H19F2N3O5/c1-26-7-12-13(23-17(25)18(12,19)20)8-28-16-10-6-14(27-2)11(15(21)24)5-9(10)3-4-22-16/h3-6,12-13H,7-8H2,1-2H3,(H2,21,24)(H,23,25)/t12-,13+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q27D308N |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM402984
(US10329302, Example 131 | US10793579, Example 131 ...)Show SMILES CC[C@]1(F)C[C@@H](COc2nccc3cc(C(N)=O)c(OC(C)C)cc23)NC1=O |r| Show InChI InChI=1S/C20H24FN3O4/c1-4-20(21)9-13(24-19(20)26)10-27-18-14-8-16(28-11(2)3)15(17(22)25)7-12(14)5-6-23-18/h5-8,11,13H,4,9-10H2,1-3H3,(H2,22,25)(H,24,26)/t13-,20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q27D308N |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM403192
(US10329302, Example 348 | US10793579, Example 348 ...)Show SMILES COC[C@H]1[C@@H](COc2nccc3cc(C(N)=O)c(OC)cc23)NC(=O)[C@H]1F |r| Show InChI InChI=1S/C18H20FN3O5/c1-25-7-12-13(22-17(24)15(12)19)8-27-18-10-6-14(26-2)11(16(20)23)5-9(10)3-4-21-18/h3-6,12-13,15H,7-8H2,1-2H3,(H2,20,23)(H,22,24)/t12-,13+,15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q27D308N |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM402967
(US10329302, Example 114 | US10793579, Example 114 ...)Show SMILES CC(C)Oc1cc2c(OC[C@@H]3CCC(=O)N3)cccc2cc1C(N)=O |r| Show InChI InChI=1S/C19H22N2O4/c1-11(2)25-17-9-14-12(8-15(17)19(20)23)4-3-5-16(14)24-10-13-6-7-18(22)21-13/h3-5,8-9,11,13H,6-7,10H2,1-2H3,(H2,20,23)(H,21,22)/t13-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q27D308N |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM403023
(US10329302, Example 170 | US10793579, Example 170 ...)Show SMILES CC(C)Oc1cc2c(OC[C@H]3NC(=O)[C@H](F)[C@H]3C)nccc2cc1C(N)=O |r| Show InChI InChI=1S/C19H22FN3O4/c1-9(2)27-15-7-12-11(6-13(15)17(21)24)4-5-22-19(12)26-8-14-10(3)16(20)18(25)23-14/h4-7,9-10,14,16H,8H2,1-3H3,(H2,21,24)(H,23,25)/t10-,14+,16+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q27D308N |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM403166
(US10329302, Example 320 | US10793579, Example 320 ...)Show SMILES COc1cc2c(OC[C@H]3NC(=O)[C@@H]4[C@@H](C(F)F)[C@H]34)nccc2cc1C(N)=O |r| Show InChI InChI=1S/C18H17F2N3O4/c1-26-11-5-8-7(4-9(11)16(21)24)2-3-22-18(8)27-6-10-12-13(15(19)20)14(12)17(25)23-10/h2-5,10,12-15H,6H2,1H3,(H2,21,24)(H,23,25)/t10-,12+,13+,14+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q27D308N |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM403099
(US10329302, Example 252 | US10793579, Example 252 ...)Show SMILES COc1cc2c(OC[C@@H]3C[C@H](F)C(=O)N3)nccc2cc1C(N)=O |r| Show InChI InChI=1S/C16H16FN3O4/c1-23-13-6-10-8(4-11(13)14(18)21)2-3-19-16(10)24-7-9-5-12(17)15(22)20-9/h2-4,6,9,12H,5,7H2,1H3,(H2,18,21)(H,20,22)/t9-,12-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q27D308N |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM403067
(US10329302, Example 220 | US10793579, Example 220 ...)Show SMILES COc1cc2c(OC[C@H]3NC(=O)[C@H](F)[C@H]3C)ccc(F)c2cc1C(N)=O |r| Show InChI InChI=1S/C18H18F2N2O4/c1-8-13(22-18(24)16(8)20)7-26-14-4-3-12(19)9-5-11(17(21)23)15(25-2)6-10(9)14/h3-6,8,13,16H,7H2,1-2H3,(H2,21,23)(H,22,24)/t8-,13+,16+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q27D308N |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM402966
(US10329302, Example 112 | US10793579, Example 112 ...)Show SMILES CC(C)Oc1cc2c(OC[C@@H]3CC(F)C(=O)N3)nccc2cc1C(N)=O |r| Show InChI InChI=1S/C18H20FN3O4/c1-9(2)26-15-7-12-10(5-13(15)16(20)23)3-4-21-18(12)25-8-11-6-14(19)17(24)22-11/h3-5,7,9,11,14H,6,8H2,1-2H3,(H2,20,23)(H,22,24)/t11-,14?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q27D308N |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM403046
(US10329302, Example 194 | US11702424, Example 194)Show SMILES COc1cc2c(OC[C@@H]3C[C@](C)(F)C(=O)N3)cccc2cc1C(N)=O |r| Show InChI InChI=1S/C18H19FN2O4/c1-18(19)8-11(21-17(18)23)9-25-14-5-3-4-10-6-13(16(20)22)15(24-2)7-12(10)14/h3-7,11H,8-9H2,1-2H3,(H2,20,22)(H,21,23)/t11-,18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q27D308N |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM402987
(US10329302, Example 134 | US10793579, Example 134 ...)Show SMILES CC(C)Oc1cc2c(OC[C@@H]3C[C@](C)(F)C(=O)N3)nccc2cc1C(N)=O |r| Show InChI InChI=1S/C19H22FN3O4/c1-10(2)27-15-7-13-11(6-14(15)16(21)24)4-5-22-17(13)26-9-12-8-19(3,20)18(25)23-12/h4-7,10,12H,8-9H2,1-3H3,(H2,21,24)(H,23,25)/t12-,19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q27D308N |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM403129
(US10329302, Example 283 | US10793579, Example 283 ...)Show SMILES CCOc1cc2c(OC[C@H]3NC(=O)[C@@H](F)[C@H]3C)nccc2cc1C(N)=O |r| Show InChI InChI=1S/C18H20FN3O4/c1-3-25-14-7-11-10(6-12(14)16(20)23)4-5-21-18(11)26-8-13-9(2)15(19)17(24)22-13/h4-7,9,13,15H,3,8H2,1-2H3,(H2,20,23)(H,22,24)/t9-,13+,15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q27D308N |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM403056
(US10329302, Example 208 | US10793579, Example 208 ...)Show SMILES COc1cc2c(OC[C@H]3NC(=O)[C@](F)(CO)[C@H]3C)nccc2cc1C(N)=O |r| Show InChI InChI=1S/C18H20FN3O5/c1-9-13(22-17(25)18(9,19)8-23)7-27-16-11-6-14(26-2)12(15(20)24)5-10(11)3-4-21-16/h3-6,9,13,23H,7-8H2,1-2H3,(H2,20,24)(H,22,25)/t9-,13+,18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q27D308N |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM403139
(US10329302, Example 293 | US10793579, Example 293 ...)Show SMILES CCOc1cc2c(OC[C@@H]3C[C@@](F)(CF)C(=O)N3)ccnc2cc1C(N)=O |r| Show InChI InChI=1S/C18H19F2N3O4/c1-2-26-15-6-11-13(5-12(15)16(21)24)22-4-3-14(11)27-8-10-7-18(20,9-19)17(25)23-10/h3-6,10H,2,7-9H2,1H3,(H2,21,24)(H,23,25)/t10-,18+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q27D308N |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM403206
(US10329302, Example 362 | US10793579, Example 362 ...)Show SMILES CC[C@@H]1CC(=O)N[C@@H]1COc1ncc(F)c2cc(C(N)=O)c(OC)cc12 |r| Show InChI InChI=1S/C18H20FN3O4/c1-3-9-4-16(23)22-14(9)8-26-18-11-6-15(25-2)12(17(20)24)5-10(11)13(19)7-21-18/h5-7,9,14H,3-4,8H2,1-2H3,(H2,20,24)(H,22,23)/t9-,14-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q27D308N |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM403039
(US10329302, Example 187 | US10793579, Example 187 ...)Show SMILES CC(C)Oc1cc2c(OC[C@H]3NC(=O)[C@@H](F)[C@H]3C)nccc2cc1C(N)=O |r| Show InChI InChI=1S/C19H22FN3O4/c1-9(2)27-15-7-12-11(6-13(15)17(21)24)4-5-22-19(12)26-8-14-10(3)16(20)18(25)23-14/h4-7,9-10,14,16H,8H2,1-3H3,(H2,21,24)(H,23,25)/t10-,14+,16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q27D308N |
More data for this
Ligand-Target Pair | |
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