Found 63 hits with Last Name = 'corona' and Initial = 'c' 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 |
|---|
Estrogen receptor
(Homo sapiens (Human)) | BDBM17292
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| 0.650 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of New Mexico Health Sciences Center
| Assay Description
Competitive binding of estrogen to GPR30 and ER alpha were conducted using COS-7 cells transfected with GPR30-GFP or ER alpha-GFP and fluorescent est... |
ACS Chem Biol 2: 536-44 (2007)
Article DOI: 10.1021/cb700072n
BindingDB Entry DOI: 10.7270/Q2V69GXR |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Estrogen receptor
(Homo sapiens (Human)) | BDBM36492
(E2-NMe3+)Show SMILES C[C@]12CCC3C(CCc4cc(O)ccc34)C1CC[C@@]2(O)C#Cc1ccc(cc1)[N+](C)(C)C |r| Show InChI InChI=1S/C29H35NO2/c1-28-16-14-25-24-12-10-23(31)19-21(24)7-11-26(25)27(28)15-18-29(28,32)17-13-20-5-8-22(9-6-20)30(2,3)4/h5-6,8-10,12,19,25-27,32H,7,11,14-16,18H2,1-4H3/p+1/t25?,26?,27?,28-,29-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of New Mexico Health Sciences Center
| Assay Description
Competitive binding of estrogen to GPR30 and ER alpha were conducted using COS-7 cells transfected with GPR30-GFP or ER alpha-GFP and fluorescent est... |
ACS Chem Biol 2: 536-44 (2007)
Article DOI: 10.1021/cb700072n
BindingDB Entry DOI: 10.7270/Q2V69GXR |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM36491
(E2-COO-)Show SMILES C[C@]12CCC3C(CCc4cc(O)ccc34)C1CC[C@@]2(O)C#Cc1cccc(c1)C([O-])=O |r| Show InChI InChI=1S/C27H28O4/c1-26-12-10-22-21-8-6-20(28)16-18(21)5-7-23(22)24(26)11-14-27(26,31)13-9-17-3-2-4-19(15-17)25(29)30/h2-4,6,8,15-16,22-24,28,31H,5,7,10-12,14H2,1H3,(H,29,30)/p-1/t22?,23?,24?,26-,27-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of New Mexico Health Sciences Center
| Assay Description
Competitive binding of estrogen to GPR30 and ER alpha were conducted using COS-7 cells transfected with GPR30-GFP or ER alpha-GFP and fluorescent est... |
ACS Chem Biol 2: 536-44 (2007)
Article DOI: 10.1021/cb700072n
BindingDB Entry DOI: 10.7270/Q2V69GXR |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM36493
(E2-NB)Show SMILES CC(C)(C)OC(=O)NCc1ccc(cc1)C#C[C@]1(O)CCC2C3CCc4cc(O)ccc4C3CC[C@]12C |r| Show InChI InChI=1S/C32H39NO4/c1-30(2,3)37-29(35)33-20-22-7-5-21(6-8-22)13-17-32(36)18-15-28-27-11-9-23-19-24(34)10-12-25(23)26(27)14-16-31(28,32)4/h5-8,10,12,19,26-28,34,36H,9,11,14-16,18,20H2,1-4H3,(H,33,35)/t26?,27?,28?,31-,32-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of New Mexico Health Sciences Center
| Assay Description
Competitive binding of estrogen to GPR30 and ER alpha were conducted using COS-7 cells transfected with GPR30-GFP or ER alpha-GFP and fluorescent est... |
ACS Chem Biol 2: 536-44 (2007)
Article DOI: 10.1021/cb700072n
BindingDB Entry DOI: 10.7270/Q2V69GXR |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM36490
(E2-NH3+)Show SMILES C[C@]12CCC3C(CCc4cc(O)ccc34)C1CC[C@@]2(O)C#Cc1ccc(C[NH3+])cc1 |r| Show InChI InChI=1S/C27H31NO2/c1-26-13-11-23-22-9-7-21(29)16-20(22)6-8-24(23)25(26)12-15-27(26,30)14-10-18-2-4-19(17-28)5-3-18/h2-5,7,9,16,23-25,29-30H,6,8,11-13,15,17,28H2,1H3/p+1/t23?,24?,25?,26-,27-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of New Mexico Health Sciences Center
| Assay Description
Competitive binding of estrogen to GPR30 and ER alpha were conducted using COS-7 cells transfected with GPR30-GFP or ER alpha-GFP and fluorescent est... |
ACS Chem Biol 2: 536-44 (2007)
Article DOI: 10.1021/cb700072n
BindingDB Entry DOI: 10.7270/Q2V69GXR |
More data for this
Ligand-Target Pair | |
G-protein coupled estrogen receptor 1
(Homo sapiens (Human)) | BDBM17292
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of New Mexico Health Sciences Center
| Assay Description
Competitive binding of estrogen to GPR30 and ER alpha were conducted using COS-7 cells transfected with GPR30-GFP or ER alpha-GFP and fluorescent est... |
ACS Chem Biol 2: 536-44 (2007)
Article DOI: 10.1021/cb700072n
BindingDB Entry DOI: 10.7270/Q2V69GXR |
More data for this
Ligand-Target Pair | |
G-protein coupled estrogen receptor 1
(Homo sapiens (Human)) | BDBM36493
(E2-NB)Show SMILES CC(C)(C)OC(=O)NCc1ccc(cc1)C#C[C@]1(O)CCC2C3CCc4cc(O)ccc4C3CC[C@]12C |r| Show InChI InChI=1S/C32H39NO4/c1-30(2,3)37-29(35)33-20-22-7-5-21(6-8-22)13-17-32(36)18-15-28-27-11-9-23-19-24(34)10-12-25(23)26(27)14-16-31(28,32)4/h5-8,10,12,19,26-28,34,36H,9,11,14-16,18,20H2,1-4H3,(H,33,35)/t26?,27?,28?,31-,32-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of New Mexico Health Sciences Center
| Assay Description
Competitive binding of estrogen to GPR30 and ER alpha were conducted using COS-7 cells transfected with GPR30-GFP or ER alpha-GFP and fluorescent est... |
ACS Chem Biol 2: 536-44 (2007)
Article DOI: 10.1021/cb700072n
BindingDB Entry DOI: 10.7270/Q2V69GXR |
More data for this
Ligand-Target Pair | |
G-protein coupled estrogen receptor 1
(Homo sapiens (Human)) | BDBM36492
(E2-NMe3+)Show SMILES C[C@]12CCC3C(CCc4cc(O)ccc34)C1CC[C@@]2(O)C#Cc1ccc(cc1)[N+](C)(C)C |r| Show InChI InChI=1S/C29H35NO2/c1-28-16-14-25-24-12-10-23(31)19-21(24)7-11-26(25)27(28)15-18-29(28,32)17-13-20-5-8-22(9-6-20)30(2,3)4/h5-6,8-10,12,19,25-27,32H,7,11,14-16,18H2,1-4H3/p+1/t25?,26?,27?,28-,29-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of New Mexico Health Sciences Center
| Assay Description
Competitive binding of estrogen to GPR30 and ER alpha were conducted using COS-7 cells transfected with GPR30-GFP or ER alpha-GFP and fluorescent est... |
ACS Chem Biol 2: 536-44 (2007)
Article DOI: 10.1021/cb700072n
BindingDB Entry DOI: 10.7270/Q2V69GXR |
More data for this
Ligand-Target Pair | |
G-protein coupled estrogen receptor 1
(Homo sapiens (Human)) | BDBM36490
(E2-NH3+)Show SMILES C[C@]12CCC3C(CCc4cc(O)ccc34)C1CC[C@@]2(O)C#Cc1ccc(C[NH3+])cc1 |r| Show InChI InChI=1S/C27H31NO2/c1-26-13-11-23-22-9-7-21(29)16-20(22)6-8-24(23)25(26)12-15-27(26,30)14-10-18-2-4-19(17-28)5-3-18/h2-5,7,9,16,23-25,29-30H,6,8,11-13,15,17,28H2,1H3/p+1/t23?,24?,25?,26-,27-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of New Mexico Health Sciences Center
| Assay Description
Competitive binding of estrogen to GPR30 and ER alpha were conducted using COS-7 cells transfected with GPR30-GFP or ER alpha-GFP and fluorescent est... |
ACS Chem Biol 2: 536-44 (2007)
Article DOI: 10.1021/cb700072n
BindingDB Entry DOI: 10.7270/Q2V69GXR |
More data for this
Ligand-Target Pair | |
G-protein coupled estrogen receptor 1
(Homo sapiens (Human)) | BDBM36491
(E2-COO-)Show SMILES C[C@]12CCC3C(CCc4cc(O)ccc34)C1CC[C@@]2(O)C#Cc1cccc(c1)C([O-])=O |r| Show InChI InChI=1S/C27H28O4/c1-26-12-10-22-21-8-6-20(28)16-18(21)5-7-23(22)24(26)11-14-27(26,31)13-9-17-3-2-4-19(15-17)25(29)30/h2-4,6,8,15-16,22-24,28,31H,5,7,10-12,14H2,1H3,(H,29,30)/p-1/t22?,23?,24?,26-,27-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of New Mexico Health Sciences Center
| Assay Description
Competitive binding of estrogen to GPR30 and ER alpha were conducted using COS-7 cells transfected with GPR30-GFP or ER alpha-GFP and fluorescent est... |
ACS Chem Biol 2: 536-44 (2007)
Article DOI: 10.1021/cb700072n
BindingDB Entry DOI: 10.7270/Q2V69GXR |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM202553
((E/Z)-2-cyano-3-(5-(1-cyclohexyl-1,6-dihydroimidaz...)Show SMILES CN(C)C(=O)C(=C\c1ccc(o1)-c1nc2cnc3[nH]ccc3c2n1C1CCCCC1)\C#N Show InChI InChI=1S/C24H24N6O2/c1-29(2)24(31)15(13-25)12-17-8-9-20(32-17)23-28-19-14-27-22-18(10-11-26-22)21(19)30(23)16-6-4-3-5-7-16/h8-12,14,16H,3-7H2,1-2H3,(H,26,27)/b15-12+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.127 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-University Tuebingen
| Assay Description
A commercial assay by Reaction Biology Corp. |
Cell Chem Biol 23: 1335-1340 (2016)
Article DOI: 10.1016/j.chembiol.2016.10.008
BindingDB Entry DOI: 10.7270/Q2WS8S22 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM202554
((E/Z)-2-cyano-N,N-dimethyl-3-(5-(1-((1S,2R)-2-meth...)Show SMILES C[C@@H]1CCCC[C@@H]1n1c(nc2cnc3[nH]ccc3c12)-c1ccc(\C=C(/C#N)C(=O)N(C)C)o1 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.154 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-University Tuebingen
| Assay Description
A commercial assay by Reaction Biology Corp. |
Cell Chem Biol 23: 1335-1340 (2016)
Article DOI: 10.1016/j.chembiol.2016.10.008
BindingDB Entry DOI: 10.7270/Q2WS8S22 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50238177
(CHEMBL4098072)Show SMILES COc1ccc(NC(=O)C=C)cc1Nc1cc(ccn1)-c1[nH]c(SC)nc1-c1ccc(F)cc1 Show InChI InChI=1S/C25H22FN5O2S/c1-4-22(32)28-18-9-10-20(33-2)19(14-18)29-21-13-16(11-12-27-21)24-23(30-25(31-24)34-3)15-5-7-17(26)8-6-15/h4-14H,1H2,2-3H3,(H,27,29)(H,28,32)(H,30,31) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.260 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00848
BindingDB Entry DOI: 10.7270/Q2Q52TQZ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50193995
(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r| Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.292 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-University Tuebingen
| Assay Description
A commercial assay by Reaction Biology Corp. |
Cell Chem Biol 23: 1335-1340 (2016)
Article DOI: 10.1016/j.chembiol.2016.10.008
BindingDB Entry DOI: 10.7270/Q2WS8S22 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50193995
(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r| Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 0.496 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-University Tuebingen
| Assay Description
A commercial assay by Reaction Biology Corp. |
Cell Chem Biol 23: 1335-1340 (2016)
Article DOI: 10.1016/j.chembiol.2016.10.008
BindingDB Entry DOI: 10.7270/Q2WS8S22 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50602487
(CHEMBL5183286)Show SMILES CSc1nc(c([nH]1)-c1ccnc(NC(C)=O)c1)-c1cccc(NC(=O)c2c(F)ccc(O)c2CN2C(=O)c3ccccc3C2=O)c1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00848
BindingDB Entry DOI: 10.7270/Q2Q52TQZ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50029668
(AZD-9291 | Osimertinib | US10085983, Compound AZD-...)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
PDB
Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00848
BindingDB Entry DOI: 10.7270/Q2Q52TQZ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50602490
(CHEMBL5188399)Show SMILES COc1ccc(NC(=O)C=C)cc1Nc1cc(ccn1)-c1[nH]c(SC)nc1-c1cccc(NC(=O)c2c(F)ccc(O)c2CN2C(=O)c3ccccc3C2=O)c1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00848
BindingDB Entry DOI: 10.7270/Q2Q52TQZ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50193995
(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r| Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1 | PDB
Reactome pathway
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Eberhard-Karls-University Tuebingen
| Assay Description
A commercial assay by Reaction Biology Corp. |
Cell Chem Biol 23: 1335-1340 (2016)
Article DOI: 10.1016/j.chembiol.2016.10.008
BindingDB Entry DOI: 10.7270/Q2WS8S22 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Tyrosine-protein kinase JAK3 [781-1124]
(Homo sapiens (Human)) | BDBM50193995
(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r| Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1 | PDB
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Eberhard-Karls-University Tuebingen
| Assay Description
In this ELISA-based kinase activity assay, a 96-well assay plate is coated with an artificial polypeptide serving as kinase substrate that contains t... |
Cell Chem Biol 23: 1335-1340 (2016)
Article DOI: 10.1016/j.chembiol.2016.10.008
BindingDB Entry DOI: 10.7270/Q2WS8S22 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50602490
(CHEMBL5188399)Show SMILES COc1ccc(NC(=O)C=C)cc1Nc1cc(ccn1)-c1[nH]c(SC)nc1-c1cccc(NC(=O)c2c(F)ccc(O)c2CN2C(=O)c3ccccc3C2=O)c1 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00848
BindingDB Entry DOI: 10.7270/Q2Q52TQZ |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50602489
(CHEMBL5188250)Show SMILES CSc1nc(c([nH]1)-c1ccnc(NC(C)=O)c1)-c1cccc(NC(=O)c2cc(O)ccc2F)c1 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00848
BindingDB Entry DOI: 10.7270/Q2Q52TQZ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50602489
(CHEMBL5188250)Show SMILES CSc1nc(c([nH]1)-c1ccnc(NC(C)=O)c1)-c1cccc(NC(=O)c2cc(O)ccc2F)c1 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00848
BindingDB Entry DOI: 10.7270/Q2Q52TQZ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50238177
(CHEMBL4098072)Show SMILES COc1ccc(NC(=O)C=C)cc1Nc1cc(ccn1)-c1[nH]c(SC)nc1-c1ccc(F)cc1 Show InChI InChI=1S/C25H22FN5O2S/c1-4-22(32)28-18-9-10-20(33-2)19(14-18)29-21-13-16(11-12-27-21)24-23(30-25(31-24)34-3)15-5-7-17(26)8-6-15/h4-14H,1H2,2-3H3,(H,27,29)(H,28,32)(H,30,31) | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00848
BindingDB Entry DOI: 10.7270/Q2Q52TQZ |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50602489
(CHEMBL5188250)Show SMILES CSc1nc(c([nH]1)-c1ccnc(NC(C)=O)c1)-c1cccc(NC(=O)c2cc(O)ccc2F)c1 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00848
BindingDB Entry DOI: 10.7270/Q2Q52TQZ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50193995
(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r| Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1 | PDB
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| n/a | n/a | 8.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-University Tuebingen
| Assay Description
A commercial assay by Reaction Biology Corp. |
Cell Chem Biol 23: 1335-1340 (2016)
Article DOI: 10.1016/j.chembiol.2016.10.008
BindingDB Entry DOI: 10.7270/Q2WS8S22 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Tyrosine-protein kinase JAK3 [781-1124]
(Homo sapiens (Human)) | BDBM202553
((E/Z)-2-cyano-3-(5-(1-cyclohexyl-1,6-dihydroimidaz...)Show SMILES CN(C)C(=O)C(=C\c1ccc(o1)-c1nc2cnc3[nH]ccc3c2n1C1CCCCC1)\C#N Show InChI InChI=1S/C24H24N6O2/c1-29(2)24(31)15(13-25)12-17-8-9-20(32-17)23-28-19-14-27-22-18(10-11-26-22)21(19)30(23)16-6-4-3-5-7-16/h8-12,14,16H,3-7H2,1-2H3,(H,26,27)/b15-12+ | PDB
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Eberhard-Karls-University Tuebingen
| Assay Description
In this ELISA-based kinase activity assay, a 96-well assay plate is coated with an artificial polypeptide serving as kinase substrate that contains t... |
Cell Chem Biol 23: 1335-1340 (2016)
Article DOI: 10.1016/j.chembiol.2016.10.008
BindingDB Entry DOI: 10.7270/Q2WS8S22 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3 [781-1124]
(Homo sapiens (Human)) | BDBM202554
((E/Z)-2-cyano-N,N-dimethyl-3-(5-(1-((1S,2R)-2-meth...)Show SMILES C[C@@H]1CCCC[C@@H]1n1c(nc2cnc3[nH]ccc3c12)-c1ccc(\C=C(/C#N)C(=O)N(C)C)o1 |r| | PDB
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Eberhard-Karls-University Tuebingen
| Assay Description
In this ELISA-based kinase activity assay, a 96-well assay plate is coated with an artificial polypeptide serving as kinase substrate that contains t... |
Cell Chem Biol 23: 1335-1340 (2016)
Article DOI: 10.1016/j.chembiol.2016.10.008
BindingDB Entry DOI: 10.7270/Q2WS8S22 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50029668
(AZD-9291 | Osimertinib | US10085983, Compound AZD-...)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32) | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00848
BindingDB Entry DOI: 10.7270/Q2Q52TQZ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM202552
((E)-3-(5-(1-cyclohexyl-1,6-dihydroimidazo[4,5-d]py...)Show SMILES CN(C)C(=O)\C=C\c1ccc(o1)-c1nc2cnc3[nH]ccc3c2n1C1CCCCC1 Show InChI InChI=1S/C23H25N5O2/c1-27(2)20(29)11-9-16-8-10-19(30-16)23-26-18-14-25-22-17(12-13-24-22)21(18)28(23)15-6-4-3-5-7-15/h8-15H,3-7H2,1-2H3,(H,24,25)/b11-9+ | PDB
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Eberhard-Karls-University Tuebingen
| Assay Description
A commercial assay by Reaction Biology Corp. |
Cell Chem Biol 23: 1335-1340 (2016)
Article DOI: 10.1016/j.chembiol.2016.10.008
BindingDB Entry DOI: 10.7270/Q2WS8S22 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM202552
((E)-3-(5-(1-cyclohexyl-1,6-dihydroimidazo[4,5-d]py...)Show SMILES CN(C)C(=O)\C=C\c1ccc(o1)-c1nc2cnc3[nH]ccc3c2n1C1CCCCC1 Show InChI InChI=1S/C23H25N5O2/c1-27(2)20(29)11-9-16-8-10-19(30-16)23-26-18-14-25-22-17(12-13-24-22)21(18)28(23)15-6-4-3-5-7-15/h8-15H,3-7H2,1-2H3,(H,24,25)/b11-9+ | PDB
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Eberhard-Karls-University Tuebingen
| Assay Description
A commercial assay by Reaction Biology Corp. |
Cell Chem Biol 23: 1335-1340 (2016)
Article DOI: 10.1016/j.chembiol.2016.10.008
BindingDB Entry DOI: 10.7270/Q2WS8S22 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50602487
(CHEMBL5183286)Show SMILES CSc1nc(c([nH]1)-c1ccnc(NC(C)=O)c1)-c1cccc(NC(=O)c2c(F)ccc(O)c2CN2C(=O)c3ccccc3C2=O)c1 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00848
BindingDB Entry DOI: 10.7270/Q2Q52TQZ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50602490
(CHEMBL5188399)Show SMILES COc1ccc(NC(=O)C=C)cc1Nc1cc(ccn1)-c1[nH]c(SC)nc1-c1cccc(NC(=O)c2c(F)ccc(O)c2CN2C(=O)c3ccccc3C2=O)c1 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00848
BindingDB Entry DOI: 10.7270/Q2Q52TQZ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3 [781-1124]
(Homo sapiens (Human)) | BDBM202552
((E)-3-(5-(1-cyclohexyl-1,6-dihydroimidazo[4,5-d]py...)Show SMILES CN(C)C(=O)\C=C\c1ccc(o1)-c1nc2cnc3[nH]ccc3c2n1C1CCCCC1 Show InChI InChI=1S/C23H25N5O2/c1-27(2)20(29)11-9-16-8-10-19(30-16)23-26-18-14-25-22-17(12-13-24-22)21(18)28(23)15-6-4-3-5-7-15/h8-15H,3-7H2,1-2H3,(H,24,25)/b11-9+ | PDB
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| n/a | n/a | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-University Tuebingen
| Assay Description
In this ELISA-based kinase activity assay, a 96-well assay plate is coated with an artificial polypeptide serving as kinase substrate that contains t... |
Cell Chem Biol 23: 1335-1340 (2016)
Article DOI: 10.1016/j.chembiol.2016.10.008
BindingDB Entry DOI: 10.7270/Q2WS8S22 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM202553
((E/Z)-2-cyano-3-(5-(1-cyclohexyl-1,6-dihydroimidaz...)Show SMILES CN(C)C(=O)C(=C\c1ccc(o1)-c1nc2cnc3[nH]ccc3c2n1C1CCCCC1)\C#N Show InChI InChI=1S/C24H24N6O2/c1-29(2)24(31)15(13-25)12-17-8-9-20(32-17)23-28-19-14-27-22-18(10-11-26-22)21(19)30(23)16-6-4-3-5-7-16/h8-12,14,16H,3-7H2,1-2H3,(H,26,27)/b15-12+ | PDB
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Eberhard-Karls-University Tuebingen
| Assay Description
A commercial assay by Reaction Biology Corp. |
Cell Chem Biol 23: 1335-1340 (2016)
Article DOI: 10.1016/j.chembiol.2016.10.008
BindingDB Entry DOI: 10.7270/Q2WS8S22 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3 [781-1124]
(Homo sapiens (Human)) | BDBM50426731
(1-cyclohexyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-...)Show InChI InChI=1S/C14H16N4/c1-2-4-10(5-3-1)18-9-17-12-8-16-14-11(13(12)18)6-7-15-14/h6-10H,1-5H2,(H,15,16) | PDB
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| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-University Tuebingen
| Assay Description
In this ELISA-based kinase activity assay, a 96-well assay plate is coated with an artificial polypeptide serving as kinase substrate that contains t... |
Cell Chem Biol 23: 1335-1340 (2016)
Article DOI: 10.1016/j.chembiol.2016.10.008
BindingDB Entry DOI: 10.7270/Q2WS8S22 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM202554
((E/Z)-2-cyano-N,N-dimethyl-3-(5-(1-((1S,2R)-2-meth...)Show SMILES C[C@@H]1CCCC[C@@H]1n1c(nc2cnc3[nH]ccc3c12)-c1ccc(\C=C(/C#N)C(=O)N(C)C)o1 |r| | PDB
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Eberhard-Karls-University Tuebingen
| Assay Description
A commercial assay by Reaction Biology Corp. |
Cell Chem Biol 23: 1335-1340 (2016)
Article DOI: 10.1016/j.chembiol.2016.10.008
BindingDB Entry DOI: 10.7270/Q2WS8S22 |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM202552
((E)-3-(5-(1-cyclohexyl-1,6-dihydroimidazo[4,5-d]py...)Show SMILES CN(C)C(=O)\C=C\c1ccc(o1)-c1nc2cnc3[nH]ccc3c2n1C1CCCCC1 Show InChI InChI=1S/C23H25N5O2/c1-27(2)20(29)11-9-16-8-10-19(30-16)23-26-18-14-25-22-17(12-13-24-22)21(18)28(23)15-6-4-3-5-7-15/h8-15H,3-7H2,1-2H3,(H,24,25)/b11-9+ | PDB
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Eberhard-Karls-University Tuebingen
| Assay Description
A commercial assay by Reaction Biology Corp. |
Cell Chem Biol 23: 1335-1340 (2016)
Article DOI: 10.1016/j.chembiol.2016.10.008
BindingDB Entry DOI: 10.7270/Q2WS8S22 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM202552
((E)-3-(5-(1-cyclohexyl-1,6-dihydroimidazo[4,5-d]py...)Show SMILES CN(C)C(=O)\C=C\c1ccc(o1)-c1nc2cnc3[nH]ccc3c2n1C1CCCCC1 Show InChI InChI=1S/C23H25N5O2/c1-27(2)20(29)11-9-16-8-10-19(30-16)23-26-18-14-25-22-17(12-13-24-22)21(18)28(23)15-6-4-3-5-7-15/h8-15H,3-7H2,1-2H3,(H,24,25)/b11-9+ | PDB
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Eberhard-Karls-University Tuebingen
| Assay Description
A commercial assay by Reaction Biology Corp. |
Cell Chem Biol 23: 1335-1340 (2016)
Article DOI: 10.1016/j.chembiol.2016.10.008
BindingDB Entry DOI: 10.7270/Q2WS8S22 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50238177
(CHEMBL4098072)Show SMILES COc1ccc(NC(=O)C=C)cc1Nc1cc(ccn1)-c1[nH]c(SC)nc1-c1ccc(F)cc1 Show InChI InChI=1S/C25H22FN5O2S/c1-4-22(32)28-18-9-10-20(33-2)19(14-18)29-21-13-16(11-12-27-21)24-23(30-25(31-24)34-3)15-5-7-17(26)8-6-15/h4-14H,1H2,2-3H3,(H,27,29)(H,28,32)(H,30,31) | PDB
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| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00848
BindingDB Entry DOI: 10.7270/Q2Q52TQZ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3 [781-1124]
(Homo sapiens (Human)) | BDBM202557
((E)-3-(4-(1-cyclohexyl-1,6-dihydroimidazo[4,5-d]py...)Show SMILES CN(C)C(=O)\C=C\c1ccc(cc1)-c1nc2cnc3[nH]ccc3c2n1C1CCCCC1 Show InChI InChI=1S/C25H27N5O/c1-29(2)22(31)13-10-17-8-11-18(12-9-17)25-28-21-16-27-24-20(14-15-26-24)23(21)30(25)19-6-4-3-5-7-19/h8-16,19H,3-7H2,1-2H3,(H,26,27)/b13-10+ | PDB
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Eberhard-Karls-University Tuebingen
| Assay Description
In this ELISA-based kinase activity assay, a 96-well assay plate is coated with an artificial polypeptide serving as kinase substrate that contains t... |
Cell Chem Biol 23: 1335-1340 (2016)
Article DOI: 10.1016/j.chembiol.2016.10.008
BindingDB Entry DOI: 10.7270/Q2WS8S22 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM202554
((E/Z)-2-cyano-N,N-dimethyl-3-(5-(1-((1S,2R)-2-meth...)Show SMILES C[C@@H]1CCCC[C@@H]1n1c(nc2cnc3[nH]ccc3c12)-c1ccc(\C=C(/C#N)C(=O)N(C)C)o1 |r| | PDB
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Eberhard-Karls-University Tuebingen
| Assay Description
A commercial assay by Reaction Biology Corp. |
Cell Chem Biol 23: 1335-1340 (2016)
Article DOI: 10.1016/j.chembiol.2016.10.008
BindingDB Entry DOI: 10.7270/Q2WS8S22 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50602488
(CHEMBL5199122)Show SMILES CSc1nc(c([nH]1)-c1ccnc(NC(C)=O)c1)-c1cccc(NC(=O)c2c(F)ccc(O)c2CN2Cc3ccccc3C2=O)c1 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00848
BindingDB Entry DOI: 10.7270/Q2Q52TQZ |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50602489
(CHEMBL5188250)Show SMILES CSc1nc(c([nH]1)-c1ccnc(NC(C)=O)c1)-c1cccc(NC(=O)c2cc(O)ccc2F)c1 | PDB
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Article
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00848
BindingDB Entry DOI: 10.7270/Q2Q52TQZ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50238177
(CHEMBL4098072)Show SMILES COc1ccc(NC(=O)C=C)cc1Nc1cc(ccn1)-c1[nH]c(SC)nc1-c1ccc(F)cc1 Show InChI InChI=1S/C25H22FN5O2S/c1-4-22(32)28-18-9-10-20(33-2)19(14-18)29-21-13-16(11-12-27-21)24-23(30-25(31-24)34-3)15-5-7-17(26)8-6-15/h4-14H,1H2,2-3H3,(H,27,29)(H,28,32)(H,30,31) | PDB
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UniChem
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| n/a | n/a | 330 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00848
BindingDB Entry DOI: 10.7270/Q2Q52TQZ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM202553
((E/Z)-2-cyano-3-(5-(1-cyclohexyl-1,6-dihydroimidaz...)Show SMILES CN(C)C(=O)C(=C\c1ccc(o1)-c1nc2cnc3[nH]ccc3c2n1C1CCCCC1)\C#N Show InChI InChI=1S/C24H24N6O2/c1-29(2)24(31)15(13-25)12-17-8-9-20(32-17)23-28-19-14-27-22-18(10-11-26-22)21(19)30(23)16-6-4-3-5-7-16/h8-12,14,16H,3-7H2,1-2H3,(H,26,27)/b15-12+ | PDB
Reactome pathway
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MCE
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PC sid
UniChem
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PubMed
| n/a | n/a | 346 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-University Tuebingen
| Assay Description
A commercial assay by Reaction Biology Corp. |
Cell Chem Biol 23: 1335-1340 (2016)
Article DOI: 10.1016/j.chembiol.2016.10.008
BindingDB Entry DOI: 10.7270/Q2WS8S22 |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM202553
((E/Z)-2-cyano-3-(5-(1-cyclohexyl-1,6-dihydroimidaz...)Show SMILES CN(C)C(=O)C(=C\c1ccc(o1)-c1nc2cnc3[nH]ccc3c2n1C1CCCCC1)\C#N Show InChI InChI=1S/C24H24N6O2/c1-29(2)24(31)15(13-25)12-17-8-9-20(32-17)23-28-19-14-27-22-18(10-11-26-22)21(19)30(23)16-6-4-3-5-7-16/h8-12,14,16H,3-7H2,1-2H3,(H,26,27)/b15-12+ | PDB
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UniChem
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| n/a | n/a | 459 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-University Tuebingen
| Assay Description
A commercial assay by Reaction Biology Corp. |
Cell Chem Biol 23: 1335-1340 (2016)
Article DOI: 10.1016/j.chembiol.2016.10.008
BindingDB Entry DOI: 10.7270/Q2WS8S22 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3 [781-1124]
(Homo sapiens (Human)) | BDBM202555
((E)-3-(3-(1-cyclohexyl-1,6-dihydroimidazo[4,5-d]py...)Show SMILES NC(=O)\C=C\c1cccc(c1)-c1nc2cnc3[nH]ccc3c2n1C1CCCCC1 Show InChI InChI=1S/C23H23N5O/c24-20(29)10-9-15-5-4-6-16(13-15)23-27-19-14-26-22-18(11-12-25-22)21(19)28(23)17-7-2-1-3-8-17/h4-6,9-14,17H,1-3,7-8H2,(H2,24,29)(H,25,26)/b10-9+ | PDB
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| PC cid
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UniChem
| Article
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| n/a | n/a | 470 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-University Tuebingen
| Assay Description
In this ELISA-based kinase activity assay, a 96-well assay plate is coated with an artificial polypeptide serving as kinase substrate that contains t... |
Cell Chem Biol 23: 1335-1340 (2016)
Article DOI: 10.1016/j.chembiol.2016.10.008
BindingDB Entry DOI: 10.7270/Q2WS8S22 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3 [781-1124]
(Homo sapiens (Human)) | BDBM202556
((E)-3-(3-(1-cyclohexyl-1,6-dihydroimidazo[4,5-d]py...)Show SMILES CN(C)C(=O)\C=C\c1cccc(c1)-c1nc2cnc3[nH]ccc3c2n1C1CCCCC1 Show InChI InChI=1S/C25H27N5O/c1-29(2)22(31)12-11-17-7-6-8-18(15-17)25-28-21-16-27-24-20(13-14-26-24)23(21)30(25)19-9-4-3-5-10-19/h6-8,11-16,19H,3-5,9-10H2,1-2H3,(H,26,27)/b12-11+ | PDB
UniProtKB/SwissProt
GoogleScholar
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| PC cid
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UniChem
| Article
PubMed
| n/a | n/a | 548 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-University Tuebingen
| Assay Description
In this ELISA-based kinase activity assay, a 96-well assay plate is coated with an artificial polypeptide serving as kinase substrate that contains t... |
Cell Chem Biol 23: 1335-1340 (2016)
Article DOI: 10.1016/j.chembiol.2016.10.008
BindingDB Entry DOI: 10.7270/Q2WS8S22 |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM202554
((E/Z)-2-cyano-N,N-dimethyl-3-(5-(1-((1S,2R)-2-meth...)Show SMILES C[C@@H]1CCCC[C@@H]1n1c(nc2cnc3[nH]ccc3c12)-c1ccc(\C=C(/C#N)C(=O)N(C)C)o1 |r| | PDB
KEGG
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 898 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-University Tuebingen
| Assay Description
A commercial assay by Reaction Biology Corp. |
Cell Chem Biol 23: 1335-1340 (2016)
Article DOI: 10.1016/j.chembiol.2016.10.008
BindingDB Entry DOI: 10.7270/Q2WS8S22 |
More data for this
Ligand-Target Pair | |
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