Found 257 hits of kd data for polymerid = 1216 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 |
|---|
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50538084
(CHEMBL4647659)Show SMILES CC(C)Oc1ccc(F)c(c1)-c1cnc(N)c(n1)C(=O)Nc1cnccc1N1CCC[C@H](C1)C(O)=O |r| Show InChI InChI=1S/C25H27FN6O4/c1-14(2)36-16-5-6-18(26)17(10-16)19-12-29-23(27)22(30-19)24(33)31-20-11-28-8-7-21(20)32-9-3-4-15(13-32)25(34)35/h5-8,10-12,14-15H,3-4,9,13H2,1-2H3,(H2,27,29)(H,31,33)(H,34,35)/t15-/m1/s1 | PDB
MMDB
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| Purchase
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PC cid
PC sid
UniChem
| | n/a | n/a | n/a | 0.0670 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50538830
(CHEMBL4644916)Show SMILES CCCCNC(=O)c1cnc2ccc(nc2c1N[C@H]1CC[C@H](CN(C)C)CC1)-c1cc(Cl)c(O)c(Cl)c1 |r,wU:18.19,wD:21.23,(87.72,-28.11,;86.39,-27.35,;85.07,-28.12,;83.74,-27.36,;82.41,-28.13,;81.07,-27.37,;81.06,-25.83,;79.74,-28.15,;79.75,-29.7,;78.42,-30.47,;77.08,-29.71,;75.75,-30.48,;74.42,-29.71,;74.42,-28.17,;75.74,-27.39,;77.08,-28.16,;78.41,-27.39,;78.4,-25.85,;77.06,-25.09,;75.73,-25.86,;74.4,-25.1,;74.39,-23.56,;73.05,-22.79,;73.04,-21.26,;71.7,-20.51,;74.37,-20.49,;75.71,-22.78,;77.05,-23.55,;73.09,-27.4,;73.09,-25.85,;71.76,-25.09,;71.76,-23.55,;70.42,-25.85,;69.09,-25.09,;70.43,-27.4,;69.1,-28.18,;71.76,-28.17,)| Show InChI InChI=1S/C28H35Cl2N5O2/c1-4-5-12-31-28(37)20-15-32-24-11-10-23(18-13-21(29)27(36)22(30)14-18)34-26(24)25(20)33-19-8-6-17(7-9-19)16-35(2)3/h10-11,13-15,17,19,36H,4-9,12,16H2,1-3H3,(H,31,37)(H,32,33)/t17-,19- | PDB
MMDB
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DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 0.0750 | n/a | n/a | n/a | n/a | n/a |
Stanford University
Curated by ChEMBL
| Assay Description
Binding affinity to wild-type human partial length DYRK1A (H129 to S509 residues) expressed in mammalian expression system by Kinomescan method |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2019.115193
BindingDB Entry DOI: 10.7270/Q2ZC86FF |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50583755
(CHEMBL5070553) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
GoogleScholar
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| Purchase
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PC cid
PC sid
UniChem
| | n/a | n/a | n/a | 0.0860 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM25036
(CHEMBL393525 | N'-[(1E)-{6-bromoimidazo[1,2-a]pyri...)Show SMILES CN(\N=C\c1cnc2ccc(Br)cn12)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O Show InChI InChI=1S/C16H14BrN5O4S/c1-11-3-5-13(22(23)24)7-15(11)27(25,26)20(2)19-9-14-8-18-16-6-4-12(17)10-21(14)16/h3-10H,1-2H3/b19-9+ | PDB
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Similars
| | n/a | n/a | n/a | 0.0900 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM385170
(US10287267, Compound 330 | US10508099, Compound 33...)Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CCN(CC3)S(C)(=O)=O)cc2c1 Show InChI InChI=1S/C20H23N5O3S/c1-24-13-18(12-22-24)15-3-4-16-11-21-19(10-17(16)9-15)23-20(26)14-5-7-25(8-6-14)29(2,27)28/h3-4,9-14H,5-8H2,1-2H3,(H,21,23,26) | PDB
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GoogleScholar
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| PC cid
PC sid
UniChem
| | n/a | n/a | n/a | 0.101 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM60438
(US9067937, 28)Show SMILES CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1cc(Cl)c(O)c(Cl)c1)C(C)=O |r,wU:7.10,wD:4.3,(-2.06,4.84,;-1.29,3.5,;.2,3.9,;-1.69,2.02,;-.6,.93,;-1,-.56,;.09,-1.65,;1.58,-1.25,;1.98,.24,;.89,1.33,;2.67,-2.34,;2.67,-3.88,;4,-4.65,;4,-6.19,;2.67,-6.96,;1.33,-6.19,;,-6.96,;-1.33,-6.19,;-1.33,-4.65,;,-3.88,;1.33,-4.65,;-2.67,-3.88,;-2.67,-2.34,;-4,-1.57,;-4,-.03,;-5.33,-2.34,;-6.67,-1.57,;-5.33,-3.88,;-6.67,-4.65,;-4,-4.65,;5.33,-3.88,;6.67,-4.65,;5.33,-2.34,)| Show InChI InChI=1S/C25H28Cl2N4O2/c1-14(32)18-12-28-22-9-8-21(16-10-19(26)25(33)20(27)11-16)30-24(22)23(18)29-17-6-4-15(5-7-17)13-31(2)3/h8-12,15,17,33H,4-7,13H2,1-3H3,(H,28,29)/t15-,17- | PDB
MMDB
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PC cid
PC sid
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Similars
| Article
PubMed
| n/a | n/a | n/a | 0.120 | n/a | n/a | n/a | n/a | n/a |
Stanford University
Curated by ChEMBL
| Assay Description
Binding affinity to wild-type human partial length DYRK1A (H129 to S509 residues) expressed in mammalian expression system by Kinomescan method |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2019.115193
BindingDB Entry DOI: 10.7270/Q2ZC86FF |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50538824
(CHEMBL4647416)Show SMILES CCOC(=O)c1cnc2ccc(nc2c1N[C@H]1CC[C@H](CN(C)C)CC1)-c1cc(Cl)c(O)c(Cl)c1 |r,wU:16.17,wD:19.21,(38.56,-10.48,;37.23,-9.73,;35.9,-10.5,;34.57,-9.75,;34.56,-8.21,;33.24,-10.53,;33.25,-12.08,;31.92,-12.85,;30.58,-12.08,;29.24,-12.86,;27.92,-12.09,;27.92,-10.55,;29.24,-9.77,;30.58,-10.54,;31.9,-9.76,;31.9,-8.22,;30.56,-7.47,;29.23,-8.24,;27.9,-7.48,;27.89,-5.94,;26.55,-5.17,;26.54,-3.64,;25.2,-2.88,;27.87,-2.87,;29.21,-5.16,;30.55,-5.93,;26.59,-9.77,;26.59,-8.23,;25.26,-7.47,;25.26,-5.93,;23.92,-8.23,;22.58,-7.47,;23.93,-9.78,;22.59,-10.56,;25.26,-10.55,)| Show InChI InChI=1S/C26H30Cl2N4O3/c1-4-35-26(34)18-13-29-22-10-9-21(16-11-19(27)25(33)20(28)12-16)31-24(22)23(18)30-17-7-5-15(6-8-17)14-32(2)3/h9-13,15,17,33H,4-8,14H2,1-3H3,(H,29,30)/t15-,17- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 0.160 | n/a | n/a | n/a | n/a | n/a |
Stanford University
Curated by ChEMBL
| Assay Description
Binding affinity to wild-type human partial length DYRK1A (H129 to S509 residues) expressed in mammalian expression system by Kinomescan method |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2019.115193
BindingDB Entry DOI: 10.7270/Q2ZC86FF |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM293424
(US10106527, Compound 10 | US10106527, Compound 142...)Show SMILES CN1CCN(CC1)c1cc(ccn1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1 Show InChI InChI=1S/C24H25N7O/c1-29-7-9-31(10-8-29)23-13-18(5-6-25-23)24(32)28-22-12-20-11-17(3-4-19(20)14-26-22)21-15-27-30(2)16-21/h3-6,11-16H,7-10H2,1-2H3,(H,26,28,32) | PDB
MMDB
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KEGG
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MCE
PC cid
PC sid
UniChem
| | n/a | n/a | n/a | 0.163 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50530417
(CHEMBL4441878)Show InChI InChI=1S/C15H18N6/c1-8(2)21-9(3)18-12-5-4-11(19-15(12)21)10-6-13(16)20-14(17)7-10/h4-8H,1-3H3,(H4,16,17,20) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | n/a | 0.188 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50538837
(CHEMBL4645393)Show SMILES CCOC(=O)c1cnc2ccc(nc2c1N[C@H]1CC[C@H](CN)CC1)-c1cc(Cl)c(O)c(Cl)c1 |r,wU:16.17,wD:19.21,(64.46,-8.98,;63.13,-8.22,;61.81,-8.99,;60.47,-8.22,;60.46,-6.68,;59.14,-9,;59.14,-10.55,;57.81,-11.32,;56.47,-10.56,;55.14,-11.33,;53.81,-10.57,;53.81,-9.02,;55.13,-8.25,;56.47,-9.02,;57.8,-8.24,;57.79,-6.7,;56.45,-5.94,;55.12,-6.71,;53.79,-5.95,;53.78,-4.41,;52.44,-3.65,;52.43,-2.12,;55.1,-3.63,;56.44,-4.4,;52.48,-8.25,;52.48,-6.71,;51.15,-5.94,;51.15,-4.4,;49.81,-6.71,;48.48,-5.94,;49.82,-8.26,;48.49,-9.04,;51.15,-9.02,)| Show InChI InChI=1S/C24H26Cl2N4O3/c1-2-33-24(32)16-12-28-20-8-7-19(14-9-17(25)23(31)18(26)10-14)30-22(20)21(16)29-15-5-3-13(11-27)4-6-15/h7-10,12-13,15,31H,2-6,11,27H2,1H3,(H,28,29)/t13-,15- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 0.220 | n/a | n/a | n/a | n/a | n/a |
Stanford University
Curated by ChEMBL
| Assay Description
Binding affinity to wild-type human partial length DYRK1A (H129 to S509 residues) expressed in mammalian expression system by Kinomescan method |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2019.115193
BindingDB Entry DOI: 10.7270/Q2ZC86FF |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50581211
(CHEMBL5093650)Show SMILES Cc1nc(NCc2c(F)cccc2F)c2c(c[nH]c2n1)-c1ccnc(N)c1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | n/a | 0.240 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human wild type DYRK1A (H129 to S509) expressed in mammalian cells by DiscoveryX Kinomescan binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00024
BindingDB Entry DOI: 10.7270/Q28W3J52 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50567047
(CHEMBL4848254) | PDB
MMDB
Reactome pathway
KEGG
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| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
| n/a | n/a | n/a | 0.240 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50613085
(CHEMBL5081787)Show SMILES Clc1cccc(Cl)c1NC1=NC(=O)\C(S1)=C\c1ccc2nccnc2c1 |t:10| | PDB
MMDB
Reactome pathway
KEGG
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| UniChem
| | n/a | n/a | n/a | 0.252 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM385079
(US10287267, Compound 1086 | US10287267, Compound 1...)Show SMILES CC(C)CN1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1 Show InChI InChI=1S/C23H29N5O/c1-16(2)14-28-8-6-17(7-9-28)23(29)26-22-11-20-10-18(4-5-19(20)12-24-22)21-13-25-27(3)15-21/h4-5,10-13,15-17H,6-9,14H2,1-3H3,(H,24,26,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | n/a | 0.283 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50613087
(CHEMBL5091238)Show SMILES O=C1NC(NC23CC4CC(CC(C4)C2)C3)=N\C1=C/c1ccc2ncsc2c1 |c:17,TLB:8:9:13:7.12.6,THB:8:7:14.9.10:13,10:9:12.11.13:6,10:11:14.9.8:6| | PDB
MMDB
Reactome pathway
KEGG
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B.MOAD
DrugBank
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GoogleScholar
AffyNet
| PDB
UniChem
| | n/a | n/a | n/a | 0.292 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50561497
(CHEMBL4764647) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to DYRK1A (unknown origin) |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00346
BindingDB Entry DOI: 10.7270/Q2P272V6 |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50561506
(CHEMBL4790358)Show SMILES Cc1nc2ccc(nc2n1-c1ccc(N2CCOCC2)c(F)c1)-c1cnn(c1)C1CC1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to DYRK1A (unknown origin) |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00346
BindingDB Entry DOI: 10.7270/Q2P272V6 |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50561504
(CHEMBL4757202)Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2n1c(C)nc2ccc(nc12)-c1ccncc1)C(C)=O |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to DYRK1A (unknown origin) |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00346
BindingDB Entry DOI: 10.7270/Q2P272V6 |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50561503
(CHEMBL4781621)Show SMILES Cc1nc2ccc(nc2n1-c1ccc2NC(=O)COc2c1)-c1ccncc1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to DYRK1A (unknown origin) |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00346
BindingDB Entry DOI: 10.7270/Q2P272V6 |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50561502
(CHEMBL4796768)Show SMILES Cc1nc2ccc(nc2n1-c1ccc(CN2CCOCC2)cc1)-c1ccncc1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to DYRK1A (unknown origin) |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00346
BindingDB Entry DOI: 10.7270/Q2P272V6 |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50561501
(CHEMBL4740866)Show SMILES NC(=O)c1ccc(nc1)-n1cnc2ccc(-c3ccncc3)c(F)c12 | PDB
MMDB
Reactome pathway
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to DYRK1A (unknown origin) |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00346
BindingDB Entry DOI: 10.7270/Q2P272V6 |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50561498
(CHEMBL4779510) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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| Article
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| n/a | n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to DYRK1A (unknown origin) |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00346
BindingDB Entry DOI: 10.7270/Q2P272V6 |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50561499
(CHEMBL4783719)Show SMILES COC(=O)c1ccc(cc1)-n1cnc2ccc(-c3ccncc3)c(F)c12 | PDB
MMDB
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| n/a | n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to DYRK1A (unknown origin) |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00346
BindingDB Entry DOI: 10.7270/Q2P272V6 |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50561500
(CHEMBL4752512) | PDB
MMDB
Reactome pathway
KEGG
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PC sid
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| Article
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| n/a | n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to DYRK1A (unknown origin) |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00346
BindingDB Entry DOI: 10.7270/Q2P272V6 |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50538851
(CHEMBL4648260)Show SMILES CCOC(=O)c1cnc2ccc(nc2c1N[C@H]1CC[C@@H](CC1)C(=O)N(C)C)-c1cc(Cl)c(O)c(Cl)c1 |r,wU:16.17,wD:19.24,(18.71,-8.92,;17.38,-8.16,;16.05,-8.93,;14.71,-8.16,;14.7,-6.62,;13.38,-8.95,;13.39,-10.5,;12.05,-11.27,;10.71,-10.5,;9.38,-11.28,;8.05,-10.51,;8.05,-8.97,;9.37,-8.19,;10.71,-8.96,;12.04,-8.18,;12.03,-6.64,;10.7,-5.88,;9.38,-6.66,;8.05,-5.89,;8.05,-4.36,;9.37,-3.59,;10.7,-4.35,;6.72,-3.59,;5.18,-3.58,;6.71,-2.06,;8.04,-1.29,;5.38,-1.29,;6.72,-8.19,;5.39,-8.97,;4.05,-8.2,;2.72,-8.98,;4.04,-6.65,;2.71,-5.88,;5.38,-5.88,;5.39,-4.35,;6.71,-6.65,)| Show InChI InChI=1S/C26H28Cl2N4O4/c1-4-36-26(35)17-13-29-21-10-9-20(15-11-18(27)24(33)19(28)12-15)31-23(21)22(17)30-16-7-5-14(6-8-16)25(34)32(2)3/h9-14,16,33H,4-8H2,1-3H3,(H,29,30)/t14-,16- | PDB
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| n/a | n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a |
Stanford University
Curated by ChEMBL
| Assay Description
Binding affinity to wild-type human partial length DYRK1A (H129 to S509 residues) expressed in mammalian expression system by Kinomescan method |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2019.115193
BindingDB Entry DOI: 10.7270/Q2ZC86FF |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50335638
(5-(3-Chlorophenylamino)benzo[c][2,6]naphthyridine-...)Show SMILES OC(=O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc21 Show InChI InChI=1S/C19H12ClN3O2/c20-12-2-1-3-13(9-12)22-18-15-6-7-21-10-16(15)14-5-4-11(19(24)25)8-17(14)23-18/h1-10H,(H,22,23)(H,24,25) | PDB
MMDB
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| PDB
| n/a | n/a | n/a | 0.775 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50585045
(CHEMBL5093741)Show SMILES CN1Cc2nn(C)c(C#N)c2-c2cnc3[nH]cc(-c4cn(CCCC1=O)nc4C(F)(F)F)c3c2 | PDB
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| | n/a | n/a | n/a | 0.912 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50585046
(CHEMBL5086263)Show SMILES CN1Cc2nn(C)c(C#N)c2-c2cnc3[nH]c(F)c(-c4cn(CCCC1=O)nc4C(F)(F)F)c3c2 | PDB
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| | n/a | n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50613084
(CHEMBL5279705)Show SMILES COC1=CC2C3C(NC2=O)=Cc2ccc(OC)cc2C3=C1OC |c:10,22,t:2| | PDB
MMDB
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| | n/a | n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50335638
(5-(3-Chlorophenylamino)benzo[c][2,6]naphthyridine-...)Show SMILES OC(=O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc21 Show InChI InChI=1S/C19H12ClN3O2/c20-12-2-1-3-13(9-12)22-18-15-6-7-21-10-16(15)14-5-4-11(19(24)25)8-17(14)23-18/h1-10H,(H,22,23)(H,24,25) | PDB
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| n/a | n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM15138
(5-indazolyl pyridine 11g | 5-{5-[(2S)-2-amino-3-ph...)Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r| Show InChI InChI=1S/C22H22N4O/c1-15-21-11-17(7-8-22(21)26-25-15)18-10-20(13-24-12-18)27-14-19(23)9-16-5-3-2-4-6-16/h2-8,10-13,19H,9,14,23H2,1H3,(H,25,26)/t19-/m0/s1 | PDB
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| Article
PubMed
| n/a | n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for DYRK1A kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50097869
(CHEMBL3589662)Show InChI InChI=1S/C16H9IN2O2/c17-10-6-3-5-9-12-14(19-13(9)10)8-4-1-2-7-11(8)18-15(12)16(20)21/h1-7,19H,(H,20,21) | PDB
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| n/a | n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50571338
(CHEMBL4873449)Show SMILES Oc1ccc(cc1)-c1n[nH]c2ncc(cc12)-c1ccc(O)c(O)c1 | PDB
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| | n/a | n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50081174
(CHEMBL3421968)Show SMILES COc1cc(ccc1Nc1nccc(n1)-c1cn(C)c2cnccc12)N1CCN(C)CC1 Show InChI InChI=1S/C24H27N7O/c1-29-10-12-31(13-11-29)17-4-5-21(23(14-17)32-3)28-24-26-9-7-20(27-24)19-16-30(2)22-15-25-8-6-18(19)22/h4-9,14-16H,10-13H2,1-3H3,(H,26,27,28) | PDB
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| PDB
| n/a | n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50613086
(CHEMBL5283849)Show SMILES O=C1NC(NC2CCCCCC2)=N\C1=C/c1ccc2ncsc2c1 |c:12| | PDB
MMDB
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| | n/a | n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50567047
(CHEMBL4848254) | PDB
MMDB
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| PDB
Article
PubMed
| n/a | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to wild-type human partial length DYRK1A (H129 to S509 residues) expressed in mammalian expression system measured after 1 hr by com... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01115
BindingDB Entry DOI: 10.7270/Q2BV7MDT |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50248942
(CC-401)Show SMILES C(CN1CCCCC1)Oc1cccc(c1)-c1n[nH]c2ccc(cc12)-c1nnc[nH]1 Show InChI InChI=1S/C22H24N6O/c1-2-9-28(10-3-1)11-12-29-18-6-4-5-16(13-18)21-19-14-17(22-23-15-24-27-22)7-8-20(19)25-26-21/h4-8,13-15H,1-3,9-12H2,(H,25,26)(H,23,24,27) | PDB
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| | n/a | n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50110183
(Abemaciclib | LY-2835219 | US10626107, Example LY2...)Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)nc2)CC1 Show InChI InChI=1S/C27H32F2N8/c1-5-35-8-10-36(11-9-35)16-19-6-7-24(30-14-19)33-27-31-15-22(29)25(34-27)20-12-21(28)26-23(13-20)37(17(2)3)18(4)32-26/h6-7,12-15,17H,5,8-11,16H2,1-4H3,(H,30,31,33,34) | PDB
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| PDB
| n/a | n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB
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| Article
PubMed
| n/a | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for DYRK1A kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM246383
(US9446044, 69)Show InChI InChI=1S/C18H14FN5O2S/c1-25-9-3-4-11(10(19)7-9)23-17-14-12(21-8-22-17)5-6-13-15(14)27-18(24-13)16(20)26-2/h3-8,20H,1-2H3,(H,21,22,23) | PDB
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| | n/a | n/a | n/a | 5.20 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM100152
(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3 | PDB
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| PDB
| n/a | n/a | n/a | 5.5 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM518835
((4-((4- (ethylamino)-3- (trifluoromethyl)- 1H-pyrr...)Show SMILES CCNc1cc(Nc2ccc(cc2OC)C(=O)N2CCC(CC2)N2CCOCC2)nc2[nH]cc(c12)C(F)(F)F | PDB
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| | n/a | n/a | n/a | 5.80 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50466843
(CHEMBL4283240)Show InChI InChI=1S/C14H10ClN3O/c1-19-9-2-3-10-11-4-6-17-14(15)13(11)18(7-5-16)12(10)8-9/h2-4,6,8H,7H2,1H3 | PDB
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TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50347750
(CHEMBL1802358)Show SMILES O=C1NC(Nc2ccccc2)=NC1=Cc1ccc2OCOc2c1 |w:13.15,c:11| Show InChI InChI=1S/C17H13N3O3/c21-16-13(8-11-6-7-14-15(9-11)23-10-22-14)19-17(20-16)18-12-4-2-1-3-5-12/h1-9H,10H2,(H2,18,19,20,21) | PDB
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| | n/a | n/a | n/a | 7.20 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM246383
(US9446044, 69)Show InChI InChI=1S/C18H14FN5O2S/c1-25-9-3-4-11(10(19)7-9)23-17-14-12(21-8-22-17)5-6-13-15(14)27-18(24-13)16(20)26-2/h3-8,20H,1-2H3,(H,21,22,23) | PDB
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| PubMed
| n/a | n/a | n/a | 7.30 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to DYRK1A (unknown origin) assessed as dissociation constant at 3 uM by ITC assay |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2GH9NMG |
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Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50347750
(CHEMBL1802358)Show SMILES O=C1NC(Nc2ccccc2)=NC1=Cc1ccc2OCOc2c1 |w:13.15,c:11| Show InChI InChI=1S/C17H13N3O3/c21-16-13(8-11-6-7-14-15(9-11)23-10-22-14)19-17(20-16)18-12-4-2-1-3-5-12/h1-9H,10H2,(H2,18,19,20,21) | PDB
MMDB
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KEGG
UniProtKB/SwissProt
B.MOAD
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | n/a | 7.80 | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description
Binding affinity to DYRK1A |
J Med Chem 55: 9312-30 (2012)
Article DOI: 10.1021/jm301034u
BindingDB Entry DOI: 10.7270/Q2571D55 |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50543392
(CHEMBL4646866)Show InChI InChI=1S/C17H14N6/c1-12-4-2-5-13(10-12)21-17-18-9-7-15(22-17)14-11-20-23-16(14)6-3-8-19-23/h2-11H,1H3,(H,18,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 8.90 | n/a | n/a | n/a | n/a | n/a |
University of Sussex
Curated by ChEMBL
| Assay Description
Binding affinity to DYRK1A (unknown origin) assessed as dissociation constant measured for 60 to 300 sec by SPR analysis |
ACS Med Chem Lett 11: 1620-1626 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00279
BindingDB Entry DOI: 10.7270/Q2ZW1QGM |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM80396
((1E)-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylide...)Show InChI InChI=1S/C13H15NO2S/c1-4-14-11-8-10(16-3)5-6-12(11)17-13(14)7-9(2)15/h5-8H,4H2,1-3H3 | PDB
MMDB
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KEGG
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antibodypedia
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| Purchase
CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a |
National Human Genome Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to Dyrk1A assessed as dissociation constant |
Bioorg Med Chem Lett 19: 6700-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.121
BindingDB Entry DOI: 10.7270/Q2S46S1C |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50022257
(CHEMBL3298236)Show InChI InChI=1S/C13H10N2/c1-2-4-10(5-3-1)11-6-7-13-12(8-11)9-14-15-13/h1-9H,(H,14,15) | PDB
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| | n/a | n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50026622
(CHEMBL408982)Show InChI InChI=1S/C13H15NO2S/c1-4-14-11-8-10(16-3)5-6-12(11)17-13(14)7-9(2)15/h5-8H,4H2,1-3H3/b13-7- | PDB
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KEGG
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GoogleScholar
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| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
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Similars
| Article
PubMed
| n/a | n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116921
BindingDB Entry DOI: 10.7270/Q25B06FX |
More data for this
Ligand-Target Pair | |
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