Found 41 hits with Last Name = 'unni' and Initial = 'ak' 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 |
|---|
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50579208
(CHEMBL4867107)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)c(C)cn(-c2c(Cl)cccc2Cl)c3=O)cc1 |(28.51,-2.72,;29.85,-3.48,;29.85,-5.02,;31.18,-5.79,;32.51,-5.02,;32.51,-3.48,;31.18,-2.7,;33.85,-5.8,;33.84,-7.34,;35.17,-8.11,;36.51,-7.34,;37.84,-8.11,;39.18,-7.34,;39.17,-5.81,;40.5,-5.03,;41.84,-5.8,;41.85,-7.35,;40.51,-8.11,;43.18,-8.11,;43.19,-9.65,;44.52,-7.33,;44.51,-5.78,;45.83,-5.01,;45.81,-3.48,;44.47,-2.73,;47.13,-2.7,;48.47,-3.45,;48.48,-4.99,;47.16,-5.77,;47.17,-7.3,;43.17,-5.03,;43.15,-3.49,;36.51,-5.79,;35.18,-5.02,)| | PDB
MMDB
NCI pathway
Reactome pathway
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
| Assay Description
Displacement of Alexa Fluor labelled kinase tracer178 from WEE1 (unknown origin) incubated for 60 mins by FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01121
BindingDB Entry DOI: 10.7270/Q2JW8JQM |
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50579222
(CHEMBL4861383)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2ccc4CC[C@@](C)(O)c4n2)n(CC=C)c3=O)cc1C |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of Alexa Fluor labelled kinase tracer178 from WEE1 (unknown origin) incubated for 60 mins by FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01121
BindingDB Entry DOI: 10.7270/Q2JW8JQM |
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM518531
(2-Allyl-1-(6-(2-hydroxypropan-2-yl)pyridin-2-yl)-6...)Show SMILES CC(C)(O)c1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc4CCNCc4c3)nc12 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of Alexa Fluor labelled kinase tracer178 from WEE1 (unknown origin) incubated for 60 mins by FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01121
BindingDB Entry DOI: 10.7270/Q2JW8JQM |
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM518527
(2-Alyl-6-((2′,3′-dihydro-1′H-spi...)Show SMILES CC(C)(O)c1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc4c(CNCC44CC4)c3)nc12 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of Alexa Fluor labelled kinase tracer178 from WEE1 (unknown origin) incubated for 60 mins by FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01121
BindingDB Entry DOI: 10.7270/Q2JW8JQM |
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM518526
(2-Allyl-1-(6-(2-hydroxypropan-2-yl)pyridin-2-yl)-6...)Show SMILES CN1Cc2cc(Nc3ncc4c(n3)n(-c3cccc(n3)C(C)(C)O)n(CC=C)c4=O)ccc2C2(CC2)C1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of Alexa Fluor labelled kinase tracer178 from WEE1 (unknown origin) incubated for 60 mins by FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01121
BindingDB Entry DOI: 10.7270/Q2JW8JQM |
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM518538
(2-Allyl-6-((2-(2-hydroxyethyl)-1,2,3,4-tetrahydroi...)Show SMILES CC(C)(O)c1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc4CCN(CCO)Cc4c3)nc12 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of Alexa Fluor labelled kinase tracer178 from WEE1 (unknown origin) incubated for 60 mins by FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01121
BindingDB Entry DOI: 10.7270/Q2JW8JQM |
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50579228
(CHEMBL4867211)Show SMILES O[C@@]1(CCc2ccc(nc12)-n1n(CC=C)c(=O)c2cnc(Nc3ccc4c(CNCC44CC4)c3)nc12)C(F)(F)F |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of Alexa Fluor labelled kinase tracer178 from WEE1 (unknown origin) incubated for 60 mins by FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01121
BindingDB Entry DOI: 10.7270/Q2JW8JQM |
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50579214
(CHEMBL4856035)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2ccc4CC[C@](O)(C(F)F)c4n2)n(CC=C)c3=O)cc1 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of Alexa Fluor labelled kinase tracer178 from WEE1 (unknown origin) incubated for 60 mins by FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01121
BindingDB Entry DOI: 10.7270/Q2JW8JQM |
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50579225
(CHEMBL4874546)Show SMILES CC[C@@]1(O)CCc2ccc(nc12)-n1n(CC=C)c(=O)c2cnc(Nc3ccc4n(ccc4c3)C3CCN(C)CC3)nc12 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of Alexa Fluor labelled kinase tracer178 from WEE1 (unknown origin) incubated for 60 mins by FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01121
BindingDB Entry DOI: 10.7270/Q2JW8JQM |
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM518540
(2-Allyl-1-(6-(2-hydroxypropan-2-yl)pyridin-2-yl)-6...)Show SMILES CN1CCc2cc(Nc3ncc4c(n3)n(-c3cccc(n3)C(C)(C)O)n(CC=C)c4=O)ccc2C1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of Alexa Fluor labelled kinase tracer178 from WEE1 (unknown origin) incubated for 60 mins by FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01121
BindingDB Entry DOI: 10.7270/Q2JW8JQM |
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM518530
(2-Allyl-1-(6-(2-hydroxypropan-2-yl)pyridin-2-yl)-6...)Show SMILES CN1CCc2ccc(Nc3ncc4c(n3)n(-c3cccc(n3)C(C)(C)O)n(CC=C)c4=O)cc2C1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of Alexa Fluor labelled kinase tracer178 from WEE1 (unknown origin) incubated for 60 mins by FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01121
BindingDB Entry DOI: 10.7270/Q2JW8JQM |
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50579218
(CHEMBL4876612)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2ccc4CC[C@@](O)(C5CC5)c4n2)n(CC=C)c3=O)cc1 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of Alexa Fluor labelled kinase tracer178 from WEE1 (unknown origin) incubated for 60 mins by FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01121
BindingDB Entry DOI: 10.7270/Q2JW8JQM |
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50579223
(CHEMBL4853285)Show SMILES CC[C@@]1(O)CCc2ccc(nc12)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)c(C)c3)nc12 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of Alexa Fluor labelled kinase tracer178 from WEE1 (unknown origin) incubated for 60 mins by FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01121
BindingDB Entry DOI: 10.7270/Q2JW8JQM |
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50579224
(CHEMBL4861351)Show SMILES CC[C@@]1(O)CCc2ccc(nc12)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCNCC3)nc12 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of Alexa Fluor labelled kinase tracer178 from WEE1 (unknown origin) incubated for 60 mins by FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01121
BindingDB Entry DOI: 10.7270/Q2JW8JQM |
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50579227
(CHEMBL4847705)Show SMILES CC[C@@]1(O)CCc2ccc(nc12)-n1n(CC=C)c(=O)c2cnc(Nc3cccc(c3)N3CCN(C)CC3)nc12 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of Alexa Fluor labelled kinase tracer178 from WEE1 (unknown origin) incubated for 60 mins by FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01121
BindingDB Entry DOI: 10.7270/Q2JW8JQM |
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50579221
(CHEMBL4866800)Show SMILES CC[C@@]1(N)CCc2ccc(nc12)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc12 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of Alexa Fluor labelled kinase tracer178 from WEE1 (unknown origin) incubated for 60 mins by FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01121
BindingDB Entry DOI: 10.7270/Q2JW8JQM |
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50579216
(CHEMBL4865963)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2ccc4CC[C@](C)(O)c4c2)n(CC=C)c3=O)cc1 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of Alexa Fluor labelled kinase tracer178 from WEE1 (unknown origin) incubated for 60 mins by FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01121
BindingDB Entry DOI: 10.7270/Q2JW8JQM |
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50579213
(CHEMBL4853973)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2ccc4CC[C@](O)(c4n2)C(F)(F)F)n(CC=C)c3=O)cc1 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of Alexa Fluor labelled kinase tracer178 from WEE1 (unknown origin) incubated for 60 mins by FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01121
BindingDB Entry DOI: 10.7270/Q2JW8JQM |
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50579220
(CHEMBL4868683)Show SMILES CC[C@@]1(O)CCCc2ccc(nc12)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc12 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of Alexa Fluor labelled kinase tracer178 from WEE1 (unknown origin) incubated for 60 mins by FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01121
BindingDB Entry DOI: 10.7270/Q2JW8JQM |
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50579219
(CHEMBL4857841)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2ccc4CCC[C@@](C)(O)c4n2)n(CC=C)c3=O)cc1 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of Alexa Fluor labelled kinase tracer178 from WEE1 (unknown origin) incubated for 60 mins by FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01121
BindingDB Entry DOI: 10.7270/Q2JW8JQM |
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50579217
(CHEMBL4871593)Show SMILES CCC1(O)CCc2ccc(nc12)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc12 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of Alexa Fluor labelled kinase tracer178 from WEE1 (unknown origin) incubated for 60 mins by FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01121
BindingDB Entry DOI: 10.7270/Q2JW8JQM |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50240826
(AZD-1775 | MK-1775 | US11124518, Example AZD1775 |...)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(CC=C)c3=O)cc1 Show InChI InChI=1S/C27H32N8O2/c1-5-13-34-25(36)21-18-28-26(29-19-9-11-20(12-10-19)33-16-14-32(4)15-17-33)31-24(21)35(34)23-8-6-7-22(30-23)27(2,3)37/h5-12,18,37H,1,13-17H2,2-4H3,(H,28,29,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of Alexa Fluor labelled kinase tracer178 from WEE1 (unknown origin) incubated for 60 mins by FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01121
BindingDB Entry DOI: 10.7270/Q2JW8JQM |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50579215
(CHEMBL4861168)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2ccc4OC[C@](C)(O)c4n2)n(CC=C)c3=O)cc1 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of Alexa Fluor labelled kinase tracer178 from WEE1 (unknown origin) incubated for 60 mins by FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01121
BindingDB Entry DOI: 10.7270/Q2JW8JQM |
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50579211
(CHEMBL4871803)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2ccc4CC[C@@](C)(O)c4n2)n(CC=C)c3=O)cc1 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of Alexa Fluor labelled kinase tracer178 from WEE1 (unknown origin) incubated for 60 mins by FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01121
BindingDB Entry DOI: 10.7270/Q2JW8JQM |
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50579212
(CHEMBL4879157)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2ccc4CC[C@](C)(O)c4n2)n(CC=C)c3=O)cc1 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of Alexa Fluor labelled kinase tracer178 from WEE1 (unknown origin) incubated for 60 mins by FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01121
BindingDB Entry DOI: 10.7270/Q2JW8JQM |
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50579210
(CHEMBL4853185)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2ccc4CCC(O)c4n2)n(CC=C)c3=O)cc1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of Alexa Fluor labelled kinase tracer178 from WEE1 (unknown origin) incubated for 60 mins by FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01121
BindingDB Entry DOI: 10.7270/Q2JW8JQM |
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50579210
(CHEMBL4853185)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2ccc4CCC(O)c4n2)n(CC=C)c3=O)cc1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of Alexa Fluor labelled kinase tracer178 from WEE1 (unknown origin) incubated for 60 mins by FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01121
BindingDB Entry DOI: 10.7270/Q2JW8JQM |
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50579209
(CHEMBL4874090)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2ccc4CCC(F)(F)c4n2)n(CC=C)c3=O)cc1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of Alexa Fluor labelled kinase tracer178 from WEE1 (unknown origin) incubated for 60 mins by FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01121
BindingDB Entry DOI: 10.7270/Q2JW8JQM |
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50579226
(CHEMBL4856253)Show SMILES CC[C@@]1(O)CCc2ccc(nc12)-n1n(CC=C)c(=O)c2cnc(Nc3cc(N4CCN(C)CC4)c4ccn(C)c4c3)nc12 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of Alexa Fluor labelled kinase tracer178 from WEE1 (unknown origin) incubated for 60 mins by FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01121
BindingDB Entry DOI: 10.7270/Q2JW8JQM |
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50579229
(CHEMBL4863657)Show SMILES [#6]-[#6][C@@]1([#8])[#6]-[#6]-c2ccc(nc12)-n1n(-[#6]\[#6]=[#6](/F)F)c(=O)c2cnc(-[#7]-c3ccc(cc3)-[#7]-3-[#6]-[#6]-[#7](-[#6])-[#6]-[#6]-3)nc12 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of Alexa Fluor labelled kinase tracer178 from WEE1 (unknown origin) incubated for 60 mins by FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01121
BindingDB Entry DOI: 10.7270/Q2JW8JQM |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK2
(Homo sapiens (Human)) | BDBM50579217
(CHEMBL4871593)Show SMILES CCC1(O)CCc2ccc(nc12)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc12 | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PLK2 (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01121
BindingDB Entry DOI: 10.7270/Q2JW8JQM |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 19
(Homo sapiens (Human)) | BDBM50579217
(CHEMBL4871593)Show SMILES CCC1(O)CCc2ccc(nc12)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc12 | KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 59 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of YSK4 (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01121
BindingDB Entry DOI: 10.7270/Q2JW8JQM |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50579217
(CHEMBL4871593)Show SMILES CCC1(O)CCc2ccc(nc12)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc12 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of EGFR d747-749/A750P mutant (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01121
BindingDB Entry DOI: 10.7270/Q2JW8JQM |
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50579231
(CHEMBL4847051)Show SMILES CC[C@@]1(O)CCc2ccc(nc12)-n1n(CC2CC2)c(=O)c2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc12 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 64 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of Alexa Fluor labelled kinase tracer178 from WEE1 (unknown origin) incubated for 60 mins by FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01121
BindingDB Entry DOI: 10.7270/Q2JW8JQM |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK3
(Homo sapiens (Human)) | BDBM50579217
(CHEMBL4871593)Show SMILES CCC1(O)CCc2ccc(nc12)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc12 | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PLK3 (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01121
BindingDB Entry DOI: 10.7270/Q2JW8JQM |
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50579230
(CHEMBL4877772)Show SMILES CC[C@@]1(O)CCc2ccc(nc12)-n1n(c(=O)c2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc12)C(F)(F)C=C |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of Alexa Fluor labelled kinase tracer178 from WEE1 (unknown origin) incubated for 60 mins by FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01121
BindingDB Entry DOI: 10.7270/Q2JW8JQM |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50579217
(CHEMBL4871593)Show SMILES CCC1(O)CCc2ccc(nc12)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc12 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 227 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PLK1 (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01121
BindingDB Entry DOI: 10.7270/Q2JW8JQM |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50579208
(CHEMBL4867107)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)c(C)cn(-c2c(Cl)cccc2Cl)c3=O)cc1 |(28.51,-2.72,;29.85,-3.48,;29.85,-5.02,;31.18,-5.79,;32.51,-5.02,;32.51,-3.48,;31.18,-2.7,;33.85,-5.8,;33.84,-7.34,;35.17,-8.11,;36.51,-7.34,;37.84,-8.11,;39.18,-7.34,;39.17,-5.81,;40.5,-5.03,;41.84,-5.8,;41.85,-7.35,;40.51,-8.11,;43.18,-8.11,;43.19,-9.65,;44.52,-7.33,;44.51,-5.78,;45.83,-5.01,;45.81,-3.48,;44.47,-2.73,;47.13,-2.7,;48.47,-3.45,;48.48,-4.99,;47.16,-5.77,;47.17,-7.3,;43.17,-5.03,;43.15,-3.49,;36.51,-5.79,;35.18,-5.02,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CYP3A4 (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01121
BindingDB Entry DOI: 10.7270/Q2JW8JQM |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50579217
(CHEMBL4871593)Show SMILES CCC1(O)CCc2ccc(nc12)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc12 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CYP3A4 (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01121
BindingDB Entry DOI: 10.7270/Q2JW8JQM |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50240826
(AZD-1775 | MK-1775 | US11124518, Example AZD1775 |...)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(CC=C)c3=O)cc1 Show InChI InChI=1S/C27H32N8O2/c1-5-13-34-25(36)21-18-28-26(29-19-9-11-20(12-10-19)33-16-14-32(4)15-17-33)31-24(21)35(34)23-8-6-7-22(30-23)27(2,3)37/h5-12,18,37H,1,13-17H2,2-4H3,(H,28,29,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CYP3A4 (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01121
BindingDB Entry DOI: 10.7270/Q2JW8JQM |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50579217
(CHEMBL4871593)Show SMILES CCC1(O)CCc2ccc(nc12)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc12 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human ERG |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01121
BindingDB Entry DOI: 10.7270/Q2JW8JQM |
More data for this
Ligand-Target Pair | |
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