Found 505 hits with Last Name = 'samatar' and Initial = 'a' 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 |
|---|
Mitogen-activated protein kinase 1
(Mus musculus (Mouse)) | BDBM103302
(SCH772984 | US8546404, 6)Show SMILES O=C(CN1CC[C@@H](C1)C(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1)N1CCN(CC1)c1ccc(cc1)-c1ncccn1 |r| Show InChI InChI=1S/C33H33N9O2/c43-30(42-18-16-41(17-19-42)27-5-2-24(3-6-27)32-35-11-1-12-36-32)22-40-15-10-25(21-40)33(44)37-26-4-7-29-28(20-26)31(39-38-29)23-8-13-34-14-9-23/h1-9,11-14,20,25H,10,15-19,21-22H2,(H,37,44)(H,38,39)/t25-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| Purchase
PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme
US Patent
| Assay Description
Activated ERK2 activity was determined in the IMAP assay format. |
US Patent US8546404 (2013)
BindingDB Entry DOI: 10.7270/Q2959G61 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50094464
(CHEMBL3590107 | US10525036, Example SCH772984 | US...)Show SMILES O=C(CN1CC[C@H](C1)C(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1)N1CCN(CC1)c1ccc(cc1)-c1ncccn1 |r| Show InChI InChI=1S/C22H27NO3/c1-2-15-23-16-13-20(14-17-23)26-21(24)22(25,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,20,25H,2,13-17H2,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of ERK2 (unknown origin) using peptide substrate measured after 45 mins by IMAP assay |
ACS Med Chem Lett 9: 761-767 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00220
BindingDB Entry DOI: 10.7270/Q2HX1G9S |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50094464
(CHEMBL3590107 | US10525036, Example SCH772984 | US...)Show SMILES O=C(CN1CC[C@H](C1)C(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1)N1CCN(CC1)c1ccc(cc1)-c1ncccn1 |r| Show InChI InChI=1S/C22H27NO3/c1-2-15-23-16-13-20(14-17-23)26-21(24)22(25,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,20,25H,2,13-17H2,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of ERK2 (unknown origin) preincubated for 45 mins followed by substrate addition measured after 0.5 hrs by IMAP assay |
Bioorg Med Chem Lett 28: 2029-2034 (2018)
Article DOI: 10.1016/j.bmcl.2018.04.063
BindingDB Entry DOI: 10.7270/Q25H7JW8 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50458811
(CHEMBL4209570)Show SMILES COc1cc(ccn1)-c1n[nH]c2ccc(NC(=O)[C@@]3(CCN(CC(=O)N4CCC(=CC4)c4ccc(cc4)-c4ncn(C)n4)C3)SC)cc12 |r,c:29| Show InChI InChI=1S/C35H37N9O3S/c1-42-22-37-33(41-42)25-6-4-23(5-7-25)24-11-15-44(16-12-24)31(45)20-43-17-13-35(21-43,48-3)34(46)38-27-8-9-29-28(19-27)32(40-39-29)26-10-14-36-30(18-26)47-2/h4-11,14,18-19,22H,12-13,15-17,20-21H2,1-3H3,(H,38,46)(H,39,40)/t35-/m0/s1 | 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 | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of ERK2 (unknown origin) using peptide substrate measured after 45 mins by IMAP assay |
ACS Med Chem Lett 9: 761-767 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00220
BindingDB Entry DOI: 10.7270/Q2HX1G9S |
More data for this
Ligand-Target Pair | |
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 | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM103295
(US8546404, 462)Show SMILES CO[C@]1(CCN(CC(=O)N2CCN(CC2)c2ccc(cc2)-c2ncccn2)C1)C(=O)Nc1ccc2[nH]nc(-c3ccc(F)cc3)c2c1 |r| Show InChI InChI=1S/C35H35FN8O3/c1-47-35(34(46)39-27-9-12-30-29(21-27)32(41-40-30)24-3-7-26(36)8-4-24)13-16-42(23-35)22-31(45)44-19-17-43(18-20-44)28-10-5-25(6-11-28)33-37-14-2-15-38-33/h2-12,14-15,21H,13,16-20,22-23H2,1H3,(H,39,46)(H,40,41)/t35-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of ERK2 (unknown origin) |
Bioorg Med Chem Lett 28: 2029-2034 (2018)
Article DOI: 10.1016/j.bmcl.2018.04.063
BindingDB Entry DOI: 10.7270/Q25H7JW8 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Mus musculus (Mouse)) | BDBM103295
(US8546404, 462)Show SMILES CO[C@]1(CCN(CC(=O)N2CCN(CC2)c2ccc(cc2)-c2ncccn2)C1)C(=O)Nc1ccc2[nH]nc(-c3ccc(F)cc3)c2c1 |r| Show InChI InChI=1S/C35H35FN8O3/c1-47-35(34(46)39-27-9-12-30-29(21-27)32(41-40-30)24-3-7-26(36)8-4-24)13-16-42(23-35)22-31(45)44-19-17-43(18-20-44)28-10-5-25(6-11-28)33-37-14-2-15-38-33/h2-12,14-15,21H,13,16-20,22-23H2,1H3,(H,39,46)(H,40,41)/t35-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme
US Patent
| Assay Description
Activated ERK2 activity was determined in the IMAP assay format. |
US Patent US8546404 (2013)
BindingDB Entry DOI: 10.7270/Q2959G61 |
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)) | 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)) | 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)) | 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 | |
Mitogen-activated protein kinase 1
(Mus musculus (Mouse)) | BDBM103292
(US8546404, 1729 | US8546404, 469)Show SMILES CO[C@]1(CCN(CC(=O)N2CCC(=CC2)c2ccc(cc2)-c2ncccn2)C1)C(=O)Nc1ccc2[nH]nc(-c3ccnc(c3)C3CC3)c2c1 |r,c:12| Show InChI InChI=1S/C38H38N8O3/c1-49-38(37(48)42-30-9-10-32-31(22-30)35(44-43-32)29-11-17-39-33(21-29)27-5-6-27)14-20-45(24-38)23-34(47)46-18-12-26(13-19-46)25-3-7-28(8-4-25)36-40-15-2-16-41-36/h2-4,7-12,15-17,21-22,27H,5-6,13-14,18-20,23-24H2,1H3,(H,42,48)(H,43,44)/t38-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme
US Patent
| Assay Description
Activated ERK2 activity was determined in the IMAP assay format. |
US Patent US8546404 (2013)
BindingDB Entry DOI: 10.7270/Q2959G61 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Mus musculus (Mouse)) | BDBM34531
(US8546404, 459)Show SMILES CO[C@]1(CCN(CC(=O)N2CCC(CC2)c2ccc(cc2)-c2ncccn2)C1)C(=O)Nc1ccc2[nH]nc(-c3ccnc(c3)C3CC3)c2c1 |r| Show InChI InChI=1S/C17H13N3O3S/c21-16(15-9-22-13-3-1-2-4-14(13)23-15)20-17-19-12(10-24-17)11-5-7-18-8-6-11/h1-8,10,15H,9H2,(H,19,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme
US Patent
| Assay Description
Activated ERK2 activity was determined in the IMAP assay format. |
US Patent US8546404 (2013)
BindingDB Entry DOI: 10.7270/Q2959G61 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Mus musculus (Mouse)) | BDBM103292
(US8546404, 1729 | US8546404, 469)Show SMILES CO[C@]1(CCN(CC(=O)N2CCC(=CC2)c2ccc(cc2)-c2ncccn2)C1)C(=O)Nc1ccc2[nH]nc(-c3ccnc(c3)C3CC3)c2c1 |r,c:12| Show InChI InChI=1S/C38H38N8O3/c1-49-38(37(48)42-30-9-10-32-31(22-30)35(44-43-32)29-11-17-39-33(21-29)27-5-6-27)14-20-45(24-38)23-34(47)46-18-12-26(13-19-46)25-3-7-28(8-4-25)36-40-15-2-16-41-36/h2-4,7-12,15-17,21-22,27H,5-6,13-14,18-20,23-24H2,1H3,(H,42,48)(H,43,44)/t38-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme
US Patent
| Assay Description
Activated ERK2 activity was determined in the IMAP assay format. |
US Patent US8546404 (2013)
BindingDB Entry DOI: 10.7270/Q2959G61 |
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)) | 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)) | 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)) | 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)) | 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)) | 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)) | 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)) | 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 | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM103293
(US8546404, 480)Show SMILES CO[C@]1(CCN(CC(=O)N2CCC(=CC2)c2ccc(cc2)-c2ncccn2)C1)C(=O)Nc1ccc2[nH]nc(-c3ccc(F)cc3)c2c1 |r,c:12| Show InChI InChI=1S/C36H34FN7O3/c1-47-36(35(46)40-29-11-12-31-30(21-29)33(42-41-31)26-7-9-28(37)10-8-26)15-20-43(23-36)22-32(45)44-18-13-25(14-19-44)24-3-5-27(6-4-24)34-38-16-2-17-39-34/h2-13,16-17,21H,14-15,18-20,22-23H2,1H3,(H,40,46)(H,41,42)/t36-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of ERK2 (unknown origin) |
Bioorg Med Chem Lett 28: 2029-2034 (2018)
Article DOI: 10.1016/j.bmcl.2018.04.063
BindingDB Entry DOI: 10.7270/Q25H7JW8 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Mus musculus (Mouse)) | BDBM103293
(US8546404, 480)Show SMILES CO[C@]1(CCN(CC(=O)N2CCC(=CC2)c2ccc(cc2)-c2ncccn2)C1)C(=O)Nc1ccc2[nH]nc(-c3ccc(F)cc3)c2c1 |r,c:12| Show InChI InChI=1S/C36H34FN7O3/c1-47-36(35(46)40-29-11-12-31-30(21-29)33(42-41-31)26-7-9-28(37)10-8-26)15-20-43(23-36)22-32(45)44-18-13-25(14-19-44)24-3-5-27(6-4-24)34-38-16-2-17-39-34/h2-13,16-17,21H,14-15,18-20,22-23H2,1H3,(H,40,46)(H,41,42)/t36-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme
US Patent
| Assay Description
Activated ERK2 activity was determined in the IMAP assay format. |
US Patent US8546404 (2013)
BindingDB Entry DOI: 10.7270/Q2959G61 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50063572
(CHEMBL3398599)Show SMILES CCc1cnc(nc1)-c1ccc(cc1)N1CCN(CC1)C(=O)CN1CC[C@H](C1)C(=O)Nc1ccc(O)c(Cl)c1 |r| Show InChI InChI=1S/C29H33ClN6O3/c1-2-20-16-31-28(32-17-20)21-3-6-24(7-4-21)35-11-13-36(14-12-35)27(38)19-34-10-9-22(18-34)29(39)33-23-5-8-26(37)25(30)15-23/h3-8,15-17,22,37H,2,9-14,18-19H2,1H3,(H,33,39)/t22-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of non-activated Erk2 (unknown origin) using activating Mek1 and peptide substrate by coupled Erk2 assay |
Bioorg Med Chem Lett 25: 1627-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.049
BindingDB Entry DOI: 10.7270/Q2BK1F1S |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50458806
(CHEMBL4205192)Show SMILES CCNc1nnc(o1)-c1ccc(cc1)C1=CCN(CC1)C(=O)CN1CC[C@@](C1)(SC)C(=O)Nc1ccc2[nH]nc(-c3ccc(F)cc3)c2c1 |r,t:16| Show InChI InChI=1S/C36H37FN8O3S/c1-3-38-35-43-42-33(48-35)26-6-4-23(5-7-26)24-14-17-45(18-15-24)31(46)21-44-19-16-36(22-44,49-2)34(47)39-28-12-13-30-29(20-28)32(41-40-30)25-8-10-27(37)11-9-25/h4-14,20H,3,15-19,21-22H2,1-2H3,(H,38,43)(H,39,47)(H,40,41)/t36-/m0/s1 | 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 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of ERK2 (unknown origin) using peptide substrate measured after 45 mins by IMAP assay |
ACS Med Chem Lett 9: 761-767 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00220
BindingDB Entry DOI: 10.7270/Q2HX1G9S |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50458805
(CHEMBL4206960)Show SMILES COc1cc(ccn1)-c1n[nH]c2ccc(NC(=O)[C@@]3(CCN(CC(=O)N4CCC(=CC4)c4ccc(cc4)-c4ncccn4)C3)SC)cc12 |r,c:29| Show InChI InChI=1S/C36H36N8O3S/c1-47-31-20-27(10-16-37-31)33-29-21-28(8-9-30(29)41-42-33)40-35(46)36(48-2)13-19-43(23-36)22-32(45)44-17-11-25(12-18-44)24-4-6-26(7-5-24)34-38-14-3-15-39-34/h3-11,14-16,20-21H,12-13,17-19,22-23H2,1-2H3,(H,40,46)(H,41,42)/t36-/m0/s1 | 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 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of ERK2 (unknown origin) using peptide substrate measured after 45 mins by IMAP assay |
ACS Med Chem Lett 9: 761-767 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00220
BindingDB Entry DOI: 10.7270/Q2HX1G9S |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50063538
(CHEMBL3398605)Show SMILES Oc1ccc(NC(=O)[C@@H]2CCN(CC(=O)N3CCN(CC3)c3ccc(cc3)-c3ncccn3)C2)cc1C(F)(F)F |r| Show InChI InChI=1S/C28H29F3N6O3/c29-28(30,31)23-16-21(4-7-24(23)38)34-27(40)20-8-11-35(17-20)18-25(39)37-14-12-36(13-15-37)22-5-2-19(3-6-22)26-32-9-1-10-33-26/h1-7,9-10,16,20,38H,8,11-15,17-18H2,(H,34,40)/t20-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of non-activated Erk2 (unknown origin) using activating Mek1 and peptide substrate by coupled Erk2 assay |
Bioorg Med Chem Lett 25: 1627-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.049
BindingDB Entry DOI: 10.7270/Q2BK1F1S |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Mus musculus (Mouse)) | BDBM103296
(US8546404, 622)Show SMILES CCNc1nnc(o1)-c1ccc(C2=CCN(CC2)C(=O)CN2CC[C@@](C2)(OC)C(=O)Nc2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)c(F)c1 |r,t:13| Show InChI InChI=1S/C36H36F2N8O4/c1-3-39-35-44-43-33(50-35)24-6-10-27(29(38)18-24)22-12-15-46(16-13-22)31(47)20-45-17-14-36(21-45,49-2)34(48)40-26-9-11-30-28(19-26)32(42-41-30)23-4-7-25(37)8-5-23/h4-12,18-19H,3,13-17,20-21H2,1-2H3,(H,39,44)(H,40,48)(H,41,42)/t36-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme
US Patent
| Assay Description
Activated ERK2 activity was determined in the IMAP assay format. |
US Patent US8546404 (2013)
BindingDB Entry DOI: 10.7270/Q2959G61 |
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 | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50461920
(CHEMBL4225841)Show SMILES Fc1ccc(cc1)-c1n[nH]c2ccc(NC(=O)[C@@H]3CCN(CC(=O)N4CCN(CC4)c4ccc(cc4)-c4ncccn4)C3)cc12 |r| Show InChI InChI=1S/C34H33FN8O2/c35-26-6-2-23(3-7-26)32-29-20-27(8-11-30(29)39-40-32)38-34(45)25-12-15-41(21-25)22-31(44)43-18-16-42(17-19-43)28-9-4-24(5-10-28)33-36-13-1-14-37-33/h1-11,13-14,20,25H,12,15-19,21-22H2,(H,38,45)(H,39,40)/t25-/m1/s1 | 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 | 5.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of ERK2 (unknown origin) |
Bioorg Med Chem Lett 28: 2029-2034 (2018)
Article DOI: 10.1016/j.bmcl.2018.04.063
BindingDB Entry DOI: 10.7270/Q25H7JW8 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50458802
(CHEMBL4215228)Show SMILES CS[C@]1(CCN(CC(=O)N2CCN(CC2)c2ccc(cc2)-c2ncccn2)C1)C(=O)Nc1ccc2[nH]nc(-c3ccc(F)cc3)c2c1 |r| Show InChI InChI=1S/C35H35FN8O2S/c1-47-35(34(46)39-27-9-12-30-29(21-27)32(41-40-30)24-3-7-26(36)8-4-24)13-16-42(23-35)22-31(45)44-19-17-43(18-20-44)28-10-5-25(6-11-28)33-37-14-2-15-38-33/h2-12,14-15,21H,13,16-20,22-23H2,1H3,(H,39,46)(H,40,41)/t35-/m0/s1 | 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 | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of ERK2 (unknown origin) |
Bioorg Med Chem Lett 28: 2029-2034 (2018)
Article DOI: 10.1016/j.bmcl.2018.04.063
BindingDB Entry DOI: 10.7270/Q25H7JW8 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50458802
(CHEMBL4215228)Show SMILES CS[C@]1(CCN(CC(=O)N2CCN(CC2)c2ccc(cc2)-c2ncccn2)C1)C(=O)Nc1ccc2[nH]nc(-c3ccc(F)cc3)c2c1 |r| Show InChI InChI=1S/C35H35FN8O2S/c1-47-35(34(46)39-27-9-12-30-29(21-27)32(41-40-30)24-3-7-26(36)8-4-24)13-16-42(23-35)22-31(45)44-19-17-43(18-20-44)28-10-5-25(6-11-28)33-37-14-2-15-38-33/h2-12,14-15,21H,13,16-20,22-23H2,1H3,(H,39,46)(H,40,41)/t35-/m0/s1 | 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 | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of ERK2 (unknown origin) using peptide substrate measured after 45 mins by IMAP assay |
ACS Med Chem Lett 9: 761-767 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00220
BindingDB Entry DOI: 10.7270/Q2HX1G9S |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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 | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50461917
(CHEMBL4225054)Show SMILES FCC1(CCN(CC(=O)N2CCN(CC2)c2ccc(cc2)-c2ncccn2)C1)C(=O)Nc1ccc2[nH]nc(-c3ccc(F)cc3)c2c1 Show InChI InChI=1S/C35H34F2N8O2/c36-22-35(34(47)40-27-8-11-30-29(20-27)32(42-41-30)24-2-6-26(37)7-3-24)12-15-43(23-35)21-31(46)45-18-16-44(17-19-45)28-9-4-25(5-10-28)33-38-13-1-14-39-33/h1-11,13-14,20H,12,15-19,21-23H2,(H,40,47)(H,41,42) | 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 | 5.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of ERK2 (unknown origin) |
Bioorg Med Chem Lett 28: 2029-2034 (2018)
Article DOI: 10.1016/j.bmcl.2018.04.063
BindingDB Entry DOI: 10.7270/Q25H7JW8 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50458807
(CHEMBL4216900)Show SMILES CCNc1ncc(s1)-c1ccc(cc1)C1=CCN(CC1)C(=O)CN1CC[C@@](C1)(SC)C(=O)Nc1ccc2[nH]nc(-c3ccnc(C)c3)c2c1 |r,t:16| Show InChI InChI=1S/C37H40N8O2S2/c1-4-38-36-40-21-32(49-36)27-7-5-25(6-8-27)26-12-16-45(17-13-26)33(46)22-44-18-14-37(23-44,48-3)35(47)41-29-9-10-31-30(20-29)34(43-42-31)28-11-15-39-24(2)19-28/h5-12,15,19-21H,4,13-14,16-18,22-23H2,1-3H3,(H,38,40)(H,41,47)(H,42,43)/t37-/m0/s1 | 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 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of ERK2 (unknown origin) using peptide substrate measured after 45 mins by IMAP assay |
ACS Med Chem Lett 9: 761-767 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00220
BindingDB Entry DOI: 10.7270/Q2HX1G9S |
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 | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM103297
(US8546404, 613)Show SMILES CS[C@]1(CCN(CC(=O)N2CCC(=CC2)c2ccc(cc2)-c2ncccn2)C1)C(=O)Nc1ccc2[nH]nc(-c3ccc(F)cc3)c2c1 |r,c:12| Show InChI InChI=1S/C36H34FN7O2S/c1-47-36(35(46)40-29-11-12-31-30(21-29)33(42-41-31)26-7-9-28(37)10-8-26)15-20-43(23-36)22-32(45)44-18-13-25(14-19-44)24-3-5-27(6-4-24)34-38-16-2-17-39-34/h2-13,16-17,21H,14-15,18-20,22-23H2,1H3,(H,40,46)(H,41,42)/t36-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of ERK2 (unknown origin) using peptide substrate measured after 45 mins by IMAP assay |
ACS Med Chem Lett 9: 761-767 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00220
BindingDB Entry DOI: 10.7270/Q2HX1G9S |
More data for this
Ligand-Target Pair | |
Search and Browse
