Found 235 hits with Last Name = 'merta' and Initial = 'pj' 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 |
|---|
Cell division cycle 7-related protein kinase
(Homo sapiens (Human)) | BDBM50365695
(CHEMBL1958408)Show SMILES O=c1cc(cc(NC2CCCCC2)[nH]1)-c1c[nH]c2ncccc12 Show InChI InChI=1S/C18H20N4O/c23-17-10-12(15-11-20-18-14(15)7-4-8-19-18)9-16(22-17)21-13-5-2-1-3-6-13/h4,7-11,13H,1-3,5-6H2,(H,19,20)(H2,21,22,23) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human Cdc7 using biotin-C6linker-TPSDSLIYDDGLS as substrate after 1 hr |
ACS Med Chem Lett 4: 211-5 (2013)
Article DOI: 10.1021/ml300348c
BindingDB Entry DOI: 10.7270/Q2DR2WT6 |
More data for this
Ligand-Target Pair | |
Cell division cycle 7-related protein kinase
(Homo sapiens (Human)) | BDBM50426461
(CHEMBL2322677)Show InChI InChI=1S/C18H19ClN4/c19-16-9-12(15-11-21-18-14(15)7-4-8-20-18)10-17(23-16)22-13-5-2-1-3-6-13/h4,7-11,13H,1-3,5-6H2,(H,20,21)(H,22,23) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human Cdc7 using biotin-C6linker-TPSDSLIYDDGLS as substrate after 1 hr |
ACS Med Chem Lett 4: 211-5 (2013)
Article DOI: 10.1021/ml300348c
BindingDB Entry DOI: 10.7270/Q2DR2WT6 |
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50043648
(CHEMBL3355533)Show SMILES CN1Cc2cc(Nc3ncc4c(n3)n3ccnc3n(-c3ccccc3Cl)c4=O)ccc2C(C)(C)C1 |(14.17,-58.52,;12.84,-57.74,;12.85,-56.2,;11.52,-55.43,;11.52,-53.9,;10.19,-53.13,;10.19,-51.59,;8.86,-50.82,;8.86,-49.27,;7.53,-48.5,;6.2,-49.27,;6.19,-50.81,;7.52,-51.58,;4.86,-51.57,;4.54,-53.07,;3.02,-53.22,;2.41,-51.82,;3.55,-50.8,;3.54,-49.26,;2.21,-48.49,;.87,-49.26,;-.47,-48.49,;-.47,-46.95,;.87,-46.18,;2.2,-46.94,;3.53,-46.16,;4.87,-48.49,;4.87,-46.95,;8.85,-53.89,;8.85,-55.43,;10.18,-56.2,;10.17,-57.73,;9.08,-58.81,;8.68,-57.32,;11.51,-58.51,)| Show InChI InChI=1S/C26H24ClN7O/c1-26(2)15-32(3)14-16-12-17(8-9-19(16)26)30-24-29-13-18-22(31-24)33-11-10-28-25(33)34(23(18)35)21-7-5-4-6-20(21)27/h4-13H,14-15H2,1-3H3,(H,29,30,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged human Wee1 |
ACS Med Chem Lett 6: 58-62 (2015)
Article DOI: 10.1021/ml5002745
BindingDB Entry DOI: 10.7270/Q2NZ8972 |
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50043654
(CHEMBL3355539)Show SMILES CN1Cc2cc(Nc3ncc4c(n3)n3ccnc3n(-c3c(F)cccc3Cl)c4=O)ccc2C(C)(C)C1 |(16.1,-31.75,;14.78,-30.97,;14.79,-29.43,;13.45,-28.67,;13.45,-27.13,;12.12,-26.36,;12.13,-24.82,;10.79,-24.05,;10.79,-22.5,;9.46,-21.73,;8.13,-22.5,;8.12,-24.04,;9.45,-24.81,;6.79,-24.8,;6.47,-26.3,;4.95,-26.45,;4.34,-25.05,;5.47,-24.04,;5.47,-22.49,;4.14,-21.72,;2.8,-22.49,;2.8,-24.03,;1.47,-21.72,;1.47,-20.17,;2.8,-19.41,;4.14,-20.17,;5.46,-19.4,;6.79,-21.72,;6.8,-20.18,;10.78,-27.13,;10.78,-28.67,;12.12,-29.43,;12.11,-30.96,;11.01,-32.05,;10.62,-30.55,;13.44,-31.74,)| Show InChI InChI=1S/C26H23ClFN7O/c1-26(2)14-33(3)13-15-11-16(7-8-18(15)26)31-24-30-12-17-22(32-24)34-10-9-29-25(34)35(23(17)36)21-19(27)5-4-6-20(21)28/h4-12H,13-14H2,1-3H3,(H,30,31,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged human Wee1 |
ACS Med Chem Lett 6: 58-62 (2015)
Article DOI: 10.1021/ml5002745
BindingDB Entry DOI: 10.7270/Q2NZ8972 |
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50043653
(CHEMBL3355538)Show SMILES CN1Cc2cc(Nc3ncc4c(n3)n3ccnc3n(-c3c(Cl)cccc3Cl)c4=O)ccc2C(C)(C)C1 |(70,-15.67,;68.68,-14.89,;68.68,-13.34,;67.35,-12.58,;67.35,-11.04,;66.02,-10.28,;66.02,-8.73,;64.69,-7.97,;64.69,-6.42,;63.36,-5.65,;62.03,-6.41,;62.02,-7.95,;63.35,-8.73,;60.69,-8.72,;60.37,-10.21,;58.85,-10.36,;58.23,-8.96,;59.37,-7.95,;59.37,-6.4,;58.04,-5.63,;58.03,-4.08,;59.36,-3.31,;56.69,-3.32,;55.36,-4.09,;55.36,-5.63,;56.7,-6.41,;56.7,-7.95,;60.69,-5.63,;60.69,-4.09,;64.68,-11.04,;64.67,-12.58,;66.01,-13.34,;66,-14.87,;64.9,-15.96,;64.51,-14.47,;67.34,-15.66,)| Show InChI InChI=1S/C26H23Cl2N7O/c1-26(2)14-33(3)13-15-11-16(7-8-18(15)26)31-24-30-12-17-22(32-24)34-10-9-29-25(34)35(23(17)36)21-19(27)5-4-6-20(21)28/h4-12H,13-14H2,1-3H3,(H,30,31,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged human Wee1 |
ACS Med Chem Lett 6: 58-62 (2015)
Article DOI: 10.1021/ml5002745
BindingDB Entry DOI: 10.7270/Q2NZ8972 |
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50043652
(CHEMBL3355537)Show SMILES CN1Cc2cc(Nc3ncc4c(n3)n3ccnc3n(-c3c(F)cccc3Cl)c4=O)ccc2C2(CC2)C1 |(56.61,-16.41,;55.29,-15.63,;55.3,-14.08,;53.96,-13.32,;53.96,-11.78,;52.63,-11.01,;52.63,-9.47,;51.3,-8.71,;51.3,-7.16,;49.97,-6.39,;48.64,-7.15,;48.63,-8.69,;49.96,-9.47,;47.3,-9.46,;46.98,-10.95,;45.46,-11.1,;44.85,-9.71,;45.98,-8.69,;45.98,-7.14,;44.65,-6.37,;43.31,-7.15,;43.31,-8.69,;41.98,-6.37,;41.98,-4.83,;43.31,-4.06,;44.65,-4.82,;45.97,-4.05,;47.3,-6.37,;47.31,-4.83,;51.29,-11.78,;51.29,-13.32,;52.62,-14.08,;52.62,-15.61,;51.52,-16.7,;51.12,-15.21,;53.95,-16.4,)| Show InChI InChI=1S/C26H21ClFN7O/c1-33-13-15-11-16(5-6-18(15)26(14-33)7-8-26)31-24-30-12-17-22(32-24)34-10-9-29-25(34)35(23(17)36)21-19(27)3-2-4-20(21)28/h2-6,9-12H,7-8,13-14H2,1H3,(H,30,31,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged human Wee1 |
ACS Med Chem Lett 6: 58-62 (2015)
Article DOI: 10.1021/ml5002745
BindingDB Entry DOI: 10.7270/Q2NZ8972 |
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50043651
(CHEMBL3355536)Show SMILES CN1Cc2cc(Nc3ncc4c(n3)n3ccnc3n(-c3c(Cl)cccc3Cl)c4=O)ccc2C2(CC2)C1 |(43.1,-16.05,;41.77,-15.27,;41.78,-13.73,;40.45,-12.96,;40.45,-11.43,;39.12,-10.66,;39.12,-9.12,;37.79,-8.35,;37.79,-6.8,;36.46,-6.03,;35.13,-6.8,;35.12,-8.34,;36.45,-9.11,;33.79,-9.1,;33.47,-10.59,;31.95,-10.74,;31.34,-9.35,;32.47,-8.34,;32.47,-6.79,;31.14,-6.02,;31.13,-4.47,;32.46,-3.69,;29.8,-3.71,;28.47,-4.47,;28.46,-6.02,;29.8,-6.79,;29.8,-8.33,;33.79,-6.02,;33.79,-4.48,;37.78,-11.42,;37.77,-12.96,;39.11,-13.73,;39.1,-15.25,;38,-16.34,;37.61,-14.85,;40.44,-16.04,)| Show InChI InChI=1S/C26H21Cl2N7O/c1-33-13-15-11-16(5-6-18(15)26(14-33)7-8-26)31-24-30-12-17-22(32-24)34-10-9-29-25(34)35(23(17)36)21-19(27)3-2-4-20(21)28/h2-6,9-12H,7-8,13-14H2,1H3,(H,30,31,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged human Wee1 |
ACS Med Chem Lett 6: 58-62 (2015)
Article DOI: 10.1021/ml5002745
BindingDB Entry DOI: 10.7270/Q2NZ8972 |
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50043649
(CHEMBL3355534)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n2ccnc2n(-c2c(Cl)cccc2Cl)c3=O)cc1 |(12.64,-19.06,;12.65,-17.52,;11.32,-16.75,;11.33,-15.22,;12.66,-14.45,;14,-15.22,;13.99,-16.76,;12.66,-12.91,;11.33,-12.14,;11.34,-10.6,;12.67,-9.84,;12.68,-8.3,;11.35,-7.53,;11.35,-5.98,;10.02,-5.21,;8.69,-5.98,;8.68,-7.52,;10.01,-8.29,;7.35,-8.28,;7.02,-9.77,;5.51,-9.92,;4.89,-8.53,;6.04,-7.51,;6.03,-5.97,;4.7,-5.2,;4.69,-3.65,;6.02,-2.87,;3.35,-2.89,;2.02,-3.65,;2.02,-5.2,;3.36,-5.97,;3.36,-7.51,;7.36,-5.2,;7.36,-3.66,;14,-10.61,;14.01,-12.14,)| Show InChI InChI=1S/C25H22Cl2N8O/c1-32-11-13-33(14-12-32)17-7-5-16(6-8-17)30-24-29-15-18-22(31-24)34-10-9-28-25(34)35(23(18)36)21-19(26)3-2-4-20(21)27/h2-10,15H,11-14H2,1H3,(H,29,30,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged human Wee1 |
ACS Med Chem Lett 6: 58-62 (2015)
Article DOI: 10.1021/ml5002745
BindingDB Entry DOI: 10.7270/Q2NZ8972 |
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50043646
(CHEMBL3355531)Show SMILES CN1Cc2cc(Nc3ncc4c(n3)n3ccnc3n(-c3ccccc3Cl)c4=O)ccc2C2(CC2)C1 |(56.69,-46.11,;55.36,-45.33,;55.36,-43.79,;54.03,-43.02,;54.03,-41.48,;52.7,-40.72,;52.71,-39.18,;51.37,-38.41,;51.38,-36.86,;50.05,-36.09,;48.72,-36.85,;48.71,-38.4,;50.04,-39.17,;47.38,-39.16,;47.05,-40.65,;45.53,-40.81,;44.92,-39.41,;46.06,-38.39,;46.06,-36.84,;44.72,-36.08,;43.38,-36.85,;42.05,-36.08,;42.05,-34.53,;43.38,-33.76,;44.72,-34.53,;46.05,-33.75,;47.38,-36.08,;47.38,-34.54,;51.36,-41.48,;51.36,-43.02,;52.7,-43.79,;52.69,-45.31,;51.59,-46.4,;51.2,-44.91,;54.02,-46.1,)| Show InChI InChI=1S/C26H22ClN7O/c1-32-14-16-12-17(6-7-19(16)26(15-32)8-9-26)30-24-29-13-18-22(31-24)33-11-10-28-25(33)34(23(18)35)21-5-3-2-4-20(21)27/h2-7,10-13H,8-9,14-15H2,1H3,(H,29,30,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged human Wee1 |
ACS Med Chem Lett 6: 58-62 (2015)
Article DOI: 10.1021/ml5002745
BindingDB Entry DOI: 10.7270/Q2NZ8972 |
More data for this
Ligand-Target Pair | |
Cell division cycle 7-related protein kinase
(Homo sapiens (Human)) | BDBM50426464
(CHEMBL2322674)Show InChI InChI=1S/C20H15N5/c21-11-16-9-15(18-13-24-20-17(18)7-4-8-22-20)10-19(25-16)23-12-14-5-2-1-3-6-14/h1-10,13H,12H2,(H,22,24)(H,23,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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 |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human Cdc7 using biotin-C6linker-TPSDSLIYDDGLS as substrate after 1 hr |
ACS Med Chem Lett 4: 211-5 (2013)
Article DOI: 10.1021/ml300348c
BindingDB Entry DOI: 10.7270/Q2DR2WT6 |
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50043643
(CHEMBL3355528)Show SMILES CN1CCc2ccc(Nc3ncc4c(n3)n3ccnc3n(-c3ccccc3Cl)c4=O)cc2C1 |(14.28,-46.36,;12.95,-45.58,;11.61,-46.35,;10.29,-45.57,;10.29,-44.04,;8.96,-43.27,;8.96,-41.73,;10.3,-40.97,;10.3,-39.43,;8.97,-38.65,;8.97,-37.11,;7.64,-36.34,;6.31,-37.1,;6.3,-38.64,;7.63,-39.42,;4.97,-39.41,;4.65,-40.9,;3.13,-41.05,;2.52,-39.66,;3.66,-38.64,;3.65,-37.09,;2.32,-36.33,;.98,-37.1,;-.36,-36.33,;-.36,-34.78,;.98,-34.01,;2.31,-34.78,;3.64,-34,;4.98,-36.33,;4.98,-34.79,;11.63,-41.73,;11.63,-43.27,;12.96,-44.04,)| Show InChI InChI=1S/C24H20ClN7O/c1-30-10-8-15-6-7-17(12-16(15)14-30)28-23-27-13-18-21(29-23)31-11-9-26-24(31)32(22(18)33)20-5-3-2-4-19(20)25/h2-7,9,11-13H,8,10,14H2,1H3,(H,27,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged human Wee1 |
ACS Med Chem Lett 6: 58-62 (2015)
Article DOI: 10.1021/ml5002745
BindingDB Entry DOI: 10.7270/Q2NZ8972 |
More data for this
Ligand-Target Pair | |
Cell division cycle 7-related protein kinase
(Homo sapiens (Human)) | BDBM50426467
(CHEMBL2322683)Show SMILES O[C@H]1CC[C@@H](CC1)Nc1cc(cc(F)n1)-c1c[nH]c2ncccc12 |r,wU:4.7,wD:1.0,(71.14,-14.48,;69.8,-15.24,;68.47,-14.47,;67.13,-15.24,;67.14,-16.78,;68.47,-17.55,;69.8,-16.78,;65.81,-17.55,;64.48,-16.78,;63.14,-17.55,;61.8,-16.78,;61.81,-15.24,;63.14,-14.47,;63.13,-12.93,;64.47,-15.23,;60.47,-17.55,;60.31,-19.08,;58.8,-19.4,;58.03,-18.07,;56.53,-17.75,;56.05,-16.3,;57.08,-15.14,;58.59,-15.47,;59.06,-16.93,)| Show InChI InChI=1S/C18H19FN4O/c19-16-8-11(15-10-21-18-14(15)2-1-7-20-18)9-17(23-16)22-12-3-5-13(24)6-4-12/h1-2,7-10,12-13,24H,3-6H2,(H,20,21)(H,22,23)/t12-,13- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human Cdc7 using biotin-C6linker-TPSDSLIYDDGLS as substrate after 1 hr |
ACS Med Chem Lett 4: 211-5 (2013)
Article DOI: 10.1021/ml300348c
BindingDB Entry DOI: 10.7270/Q2DR2WT6 |
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50043650
(CHEMBL3355535)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n2ccnc2n(-c2c(F)cccc2Cl)c3=O)cc1 |(26.63,-18.59,;26.64,-17.05,;25.31,-16.27,;25.31,-14.74,;26.65,-13.97,;27.99,-14.74,;27.98,-16.28,;26.65,-12.43,;25.32,-11.66,;25.32,-10.13,;26.66,-9.36,;26.66,-7.82,;25.33,-7.05,;25.33,-5.5,;24,-4.73,;22.67,-5.5,;22.66,-7.04,;23.99,-7.81,;21.34,-7.8,;21.01,-9.29,;19.49,-9.44,;18.88,-8.05,;20.02,-7.04,;20.02,-5.49,;18.68,-4.72,;17.34,-5.49,;17.34,-7.03,;16.01,-4.72,;16.01,-3.17,;17.34,-2.41,;18.68,-3.17,;20.01,-2.4,;21.34,-4.72,;21.34,-3.18,;27.99,-10.13,;27.99,-11.66,)| Show InChI InChI=1S/C25H22ClFN8O/c1-32-11-13-33(14-12-32)17-7-5-16(6-8-17)30-24-29-15-18-22(31-24)34-10-9-28-25(34)35(23(18)36)21-19(26)3-2-4-20(21)27/h2-10,15H,11-14H2,1H3,(H,29,30,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged human Wee1 |
ACS Med Chem Lett 6: 58-62 (2015)
Article DOI: 10.1021/ml5002745
BindingDB Entry DOI: 10.7270/Q2NZ8972 |
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50043633
(CHEMBL3355518)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n2ccnc2n(-c2ccccc2Cl)c3=O)cc1 |(12.52,-17.19,;12.53,-15.65,;11.2,-14.87,;11.21,-13.33,;12.54,-12.58,;13.88,-13.34,;13.87,-14.88,;12.54,-11.04,;11.21,-10.26,;11.22,-8.72,;12.55,-7.96,;12.56,-6.42,;11.23,-5.65,;11.23,-4.1,;9.9,-3.33,;8.57,-4.09,;8.56,-5.64,;9.89,-6.41,;7.23,-6.4,;6.9,-7.89,;5.39,-8.05,;4.77,-6.65,;5.91,-5.63,;5.91,-4.08,;4.57,-3.32,;3.24,-4.09,;1.9,-3.32,;1.9,-1.77,;3.23,-1,;4.57,-1.77,;5.9,-.99,;7.23,-3.32,;7.23,-1.78,;13.88,-8.72,;13.88,-10.26,)| Show InChI InChI=1S/C25H23ClN8O/c1-31-12-14-32(15-13-31)18-8-6-17(7-9-18)29-24-28-16-19-22(30-24)33-11-10-27-25(33)34(23(19)35)21-5-3-2-4-20(21)26/h2-11,16H,12-15H2,1H3,(H,28,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged human Wee1 |
ACS Med Chem Lett 6: 58-62 (2015)
Article DOI: 10.1021/ml5002745
BindingDB Entry DOI: 10.7270/Q2NZ8972 |
More data for this
Ligand-Target Pair | |
Cell division cycle 7-related protein kinase
(Homo sapiens (Human)) | BDBM50426468
(CHEMBL2322682)Show InChI InChI=1S/C18H19FN4/c19-16-9-12(15-11-21-18-14(15)7-4-8-20-18)10-17(23-16)22-13-5-2-1-3-6-13/h4,7-11,13H,1-3,5-6H2,(H,20,21)(H,22,23) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human Cdc7 using biotin-C6linker-TPSDSLIYDDGLS as substrate after 1 hr |
ACS Med Chem Lett 4: 211-5 (2013)
Article DOI: 10.1021/ml300348c
BindingDB Entry DOI: 10.7270/Q2DR2WT6 |
More data for this
Ligand-Target Pair | |
Cell division cycle 7-related protein kinase
(Homo sapiens (Human)) | BDBM50426466
(CHEMBL2322684)Show SMILES N[C@H]1CC[C@@H](CC1)Nc1cc(cc(F)n1)-c1c[nH]c2ncccc12 |r,wU:4.7,wD:1.0,(17.72,-27.15,;16.38,-27.92,;15.05,-27.15,;13.71,-27.92,;13.73,-29.45,;15.05,-30.23,;16.38,-29.46,;12.39,-30.23,;11.06,-29.46,;9.72,-30.23,;8.39,-29.46,;8.39,-27.91,;9.72,-27.14,;9.71,-25.6,;11.05,-27.91,;7.05,-30.23,;6.89,-31.76,;5.38,-32.08,;4.61,-30.75,;3.11,-30.43,;2.63,-28.97,;3.67,-27.82,;5.17,-28.14,;5.64,-29.6,)| Show InChI InChI=1S/C18H20FN5/c19-16-8-11(15-10-22-18-14(15)2-1-7-21-18)9-17(24-16)23-13-5-3-12(20)4-6-13/h1-2,7-10,12-13H,3-6,20H2,(H,21,22)(H,23,24)/t12-,13- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human Cdc7 using biotin-C6linker-TPSDSLIYDDGLS as substrate after 1 hr |
ACS Med Chem Lett 4: 211-5 (2013)
Article DOI: 10.1021/ml300348c
BindingDB Entry DOI: 10.7270/Q2DR2WT6 |
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50043647
(CHEMBL3355532)Show SMILES CC(=O)N1Cc2cc(Nc3ncc4c(n3)n3ccnc3n(-c3ccccc3Cl)c4=O)ccc2C2(CC2)C1 |(69.82,-47.04,;69.82,-45.5,;71.16,-44.73,;68.49,-44.72,;68.5,-43.18,;67.17,-42.41,;67.17,-40.88,;65.84,-40.11,;65.84,-38.57,;64.51,-37.8,;64.51,-36.25,;63.18,-35.48,;61.85,-36.25,;61.84,-37.79,;63.17,-38.56,;60.51,-38.55,;60.19,-40.05,;58.67,-40.2,;58.06,-38.8,;59.19,-37.78,;59.19,-36.24,;57.86,-35.47,;56.52,-36.24,;55.19,-35.47,;55.19,-33.93,;56.52,-33.16,;57.85,-33.92,;59.18,-33.14,;60.52,-35.47,;60.52,-33.93,;64.5,-40.87,;64.49,-42.41,;65.83,-43.18,;65.82,-44.71,;64.73,-45.79,;64.33,-44.3,;67.15,-45.49,)| Show InChI InChI=1S/C27H22ClN7O2/c1-16(36)33-14-17-12-18(6-7-20(17)27(15-33)8-9-27)31-25-30-13-19-23(32-25)34-11-10-29-26(34)35(24(19)37)22-5-3-2-4-21(22)28/h2-7,10-13H,8-9,14-15H2,1H3,(H,30,31,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 5.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged human Wee1 |
ACS Med Chem Lett 6: 58-62 (2015)
Article DOI: 10.1021/ml5002745
BindingDB Entry DOI: 10.7270/Q2NZ8972 |
More data for this
Ligand-Target Pair | |
Cell division cycle 7-related protein kinase
(Homo sapiens (Human)) | BDBM50426463
(CHEMBL2322675)Show SMILES O[C@H]1CC[C@@H](CC1)Nc1cc(cc(n1)C#N)-c1c[nH]c2ncccc12 |r,wU:4.7,wD:1.0,(19.06,-40.41,;17.72,-41.18,;16.38,-40.41,;15.04,-41.18,;15.06,-42.71,;16.39,-43.49,;17.71,-42.72,;13.73,-43.48,;12.39,-42.72,;11.05,-43.49,;9.72,-42.72,;9.72,-41.17,;11.05,-40.4,;12.39,-41.17,;11.04,-38.87,;11.03,-37.33,;8.39,-43.49,;8.22,-45.02,;6.72,-45.34,;5.94,-44,;4.44,-43.69,;3.97,-42.23,;5,-41.08,;6.5,-41.4,;6.98,-42.86,)| Show InChI InChI=1S/C19H19N5O/c20-10-14-8-12(17-11-22-19-16(17)2-1-7-21-19)9-18(24-14)23-13-3-5-15(25)6-4-13/h1-2,7-9,11,13,15,25H,3-6H2,(H,21,22)(H,23,24)/t13-,15- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human Cdc7 using biotin-C6linker-TPSDSLIYDDGLS as substrate after 1 hr |
ACS Med Chem Lett 4: 211-5 (2013)
Article DOI: 10.1021/ml300348c
BindingDB Entry DOI: 10.7270/Q2DR2WT6 |
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50043637
(CHEMBL3355522)Show SMILES Clc1ccccc1-n1c2nccn2c2nc(Nc3ccc(cc3)N3CCCCC3)ncc2c1=O |(59.29,-2.07,;57.96,-2.85,;56.62,-2.08,;55.29,-2.85,;55.29,-4.4,;56.63,-5.17,;57.96,-4.4,;59.3,-5.17,;59.3,-6.71,;58.16,-7.73,;58.78,-9.13,;60.3,-8.97,;60.62,-7.48,;61.95,-6.72,;63.28,-7.49,;64.62,-6.73,;65.95,-7.5,;65.94,-9.04,;64.61,-9.8,;64.6,-11.34,;65.93,-12.12,;67.27,-11.34,;67.27,-9.8,;65.94,-13.65,;64.6,-14.41,;64.59,-15.95,;65.92,-16.73,;67.26,-15.96,;67.27,-14.42,;64.62,-5.18,;63.29,-4.41,;61.96,-5.17,;60.62,-4.4,;60.62,-2.86,)| Show InChI InChI=1S/C25H22ClN7O/c26-20-6-2-3-7-21(20)33-23(34)19-16-28-24(30-22(19)32-15-12-27-25(32)33)29-17-8-10-18(11-9-17)31-13-4-1-5-14-31/h2-3,6-12,15-16H,1,4-5,13-14H2,(H,28,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 5.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged human Wee1 |
ACS Med Chem Lett 6: 58-62 (2015)
Article DOI: 10.1021/ml5002745
BindingDB Entry DOI: 10.7270/Q2NZ8972 |
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50043640
(CHEMBL3355525)Show SMILES CN1CCN(CC1)c1cccc(Nc2ncc3c(n2)n2ccnc2n(-c2ccccc2Cl)c3=O)c1 |(29.29,-32.06,;30.63,-31.3,;30.64,-29.76,;31.97,-29,;33.3,-29.78,;33.3,-31.32,;31.96,-32.08,;34.63,-29.02,;35.97,-29.79,;37.31,-29.02,;37.3,-27.48,;35.98,-26.71,;35.98,-25.17,;34.65,-24.4,;34.65,-22.85,;33.32,-22.08,;31.99,-22.85,;31.98,-24.39,;33.31,-25.17,;30.65,-25.16,;30.33,-26.65,;28.81,-26.8,;28.19,-25.4,;29.33,-24.39,;29.33,-22.84,;27.99,-22.07,;26.66,-22.84,;25.32,-22.07,;25.32,-20.53,;26.65,-19.76,;27.99,-20.52,;29.32,-19.75,;30.65,-22.07,;30.65,-20.53,;34.64,-27.48,)| Show InChI InChI=1S/C25H23ClN8O/c1-31-11-13-32(14-12-31)18-6-4-5-17(15-18)29-24-28-16-19-22(30-24)33-10-9-27-25(33)34(23(19)35)21-8-3-2-7-20(21)26/h2-10,15-16H,11-14H2,1H3,(H,28,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged human Wee1 |
ACS Med Chem Lett 6: 58-62 (2015)
Article DOI: 10.1021/ml5002745
BindingDB Entry DOI: 10.7270/Q2NZ8972 |
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50043639
(CHEMBL3355524)Show SMILES CC(=O)N1CCN(CC1)c1ccc(Nc2ncc3c(n2)n2ccnc2n(-c2ccccc2Cl)c3=O)cc1 |(21.77,-35.76,;23.11,-35,;24.44,-35.78,;23.12,-33.46,;21.79,-32.68,;21.79,-31.15,;23.13,-30.39,;24.46,-31.15,;24.46,-32.69,;23.13,-28.85,;21.8,-28.07,;21.8,-26.53,;23.14,-25.77,;23.14,-24.23,;21.81,-23.46,;21.81,-21.91,;20.48,-21.14,;19.15,-21.91,;19.14,-23.45,;20.47,-24.22,;17.81,-24.21,;17.49,-25.7,;15.97,-25.86,;15.36,-24.46,;16.5,-23.44,;16.49,-21.9,;15.16,-21.13,;13.82,-21.9,;12.49,-21.13,;12.49,-19.58,;13.82,-18.81,;15.15,-19.58,;16.48,-18.8,;17.82,-21.13,;17.82,-19.59,;24.47,-26.54,;24.47,-28.07,)| Show InChI InChI=1S/C26H23ClN8O2/c1-17(36)32-12-14-33(15-13-32)19-8-6-18(7-9-19)30-25-29-16-20-23(31-25)34-11-10-28-26(34)35(24(20)37)22-5-3-2-4-21(22)27/h2-11,16H,12-15H2,1H3,(H,29,30,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged human Wee1 |
ACS Med Chem Lett 6: 58-62 (2015)
Article DOI: 10.1021/ml5002745
BindingDB Entry DOI: 10.7270/Q2NZ8972 |
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50043645
(CHEMBL3355530)Show SMILES CN1CCCc2cc(Nc3ncc4c(n3)n3ccnc3n(-c3ccccc3Cl)c4=O)ccc12 |(38.43,-46.29,;39.76,-45.52,;41.09,-46.3,;42.43,-45.53,;42.44,-43.99,;41.11,-43.22,;41.1,-41.69,;39.77,-40.92,;39.78,-39.38,;38.45,-38.61,;38.45,-37.06,;37.12,-36.29,;35.79,-37.06,;35.78,-38.6,;37.11,-39.37,;34.45,-39.36,;34.13,-40.86,;32.61,-41.01,;31.99,-39.61,;33.13,-38.59,;33.13,-37.05,;31.79,-36.28,;30.46,-37.05,;29.12,-36.28,;29.13,-34.74,;30.45,-33.97,;31.79,-34.73,;33.12,-33.95,;34.45,-36.28,;34.45,-34.74,;38.44,-41.68,;38.43,-43.22,;39.77,-43.99,)| Show InChI InChI=1S/C24H20ClN7O/c1-30-11-4-5-15-13-16(8-9-19(15)30)28-23-27-14-17-21(29-23)31-12-10-26-24(31)32(22(17)33)20-7-3-2-6-18(20)25/h2-3,6-10,12-14H,4-5,11H2,1H3,(H,27,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 7.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged human Wee1 |
ACS Med Chem Lett 6: 58-62 (2015)
Article DOI: 10.1021/ml5002745
BindingDB Entry DOI: 10.7270/Q2NZ8972 |
More data for this
Ligand-Target Pair | |
Cell division cycle 7-related protein kinase
(Homo sapiens (Human)) | BDBM50426465
(CHEMBL2322673)Show InChI InChI=1S/C19H19N5/c20-11-15-9-13(17-12-22-19-16(17)7-4-8-21-19)10-18(24-15)23-14-5-2-1-3-6-14/h4,7-10,12,14H,1-3,5-6H2,(H,21,22)(H,23,24) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human Cdc7 using biotin-C6linker-TPSDSLIYDDGLS as substrate after 1 hr |
ACS Med Chem Lett 4: 211-5 (2013)
Article DOI: 10.1021/ml300348c
BindingDB Entry DOI: 10.7270/Q2DR2WT6 |
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50043638
(CHEMBL3355523)Show SMILES CN1CCC(CC1)c1ccc(Nc2ncc3c(n2)n2ccnc2n(-c2ccccc2Cl)c3=O)cc1 |(11.11,-34.48,;11.12,-32.94,;9.79,-32.16,;9.8,-30.63,;11.13,-29.86,;12.47,-30.63,;12.46,-32.18,;11.13,-28.33,;9.8,-27.55,;9.8,-26.02,;11.14,-25.25,;11.15,-23.71,;9.81,-22.94,;9.82,-21.39,;8.48,-20.62,;7.15,-21.39,;7.15,-22.93,;8.48,-23.7,;5.82,-23.69,;5.49,-25.19,;3.97,-25.34,;3.36,-23.94,;4.5,-22.92,;4.49,-21.38,;3.16,-20.61,;1.82,-21.38,;.49,-20.61,;.49,-19.06,;1.82,-18.29,;3.15,-19.06,;4.48,-18.28,;5.82,-20.61,;5.82,-19.07,;12.47,-26.02,;12.47,-27.55,)| Show InChI InChI=1S/C26H24ClN7O/c1-32-13-10-18(11-14-32)17-6-8-19(9-7-17)30-25-29-16-20-23(31-25)33-15-12-28-26(33)34(24(20)35)22-5-3-2-4-21(22)27/h2-9,12,15-16,18H,10-11,13-14H2,1H3,(H,29,30,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 8.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged human Wee1 |
ACS Med Chem Lett 6: 58-62 (2015)
Article DOI: 10.1021/ml5002745
BindingDB Entry DOI: 10.7270/Q2NZ8972 |
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50043644
(CHEMBL3355529)Show SMILES CN1CCCc2ccc(Nc3ncc4c(n3)n3ccnc3n(-c3ccccc3Cl)c4=O)cc12 |(27.6,-44.19,;26.26,-44.96,;26.25,-46.5,;24.92,-47.27,;23.59,-46.49,;23.59,-44.96,;22.26,-44.19,;22.26,-42.65,;23.6,-41.89,;23.6,-40.35,;22.27,-39.57,;22.27,-38.03,;20.94,-37.26,;19.61,-38.02,;19.6,-39.56,;20.93,-40.34,;18.27,-40.33,;17.95,-41.82,;16.43,-41.97,;15.82,-40.58,;16.96,-39.56,;16.95,-38.01,;15.62,-37.25,;14.28,-38.02,;12.95,-37.25,;12.95,-35.7,;14.28,-34.93,;15.61,-35.7,;16.94,-34.92,;18.28,-37.25,;18.28,-35.71,;24.93,-42.65,;24.93,-44.19,)| Show InChI InChI=1S/C24H20ClN7O/c1-30-11-4-5-15-8-9-16(13-20(15)30)28-23-27-14-17-21(29-23)31-12-10-26-24(31)32(22(17)33)19-7-3-2-6-18(19)25/h2-3,6-10,12-14H,4-5,11H2,1H3,(H,27,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| 8.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged human Wee1 |
ACS Med Chem Lett 6: 58-62 (2015)
Article DOI: 10.1021/ml5002745
BindingDB Entry DOI: 10.7270/Q2NZ8972 |
More data for this
Ligand-Target Pair | |
Cell division cycle 7-related protein kinase
(Homo sapiens (Human)) | BDBM50426472
(CHEMBL2322678)Show InChI InChI=1S/C18H20N4/c1-2-5-14(6-3-1)22-17-11-13(8-10-19-17)16-12-21-18-15(16)7-4-9-20-18/h4,7-12,14H,1-3,5-6H2,(H,19,22)(H,20,21) | PDB
Reactome pathway
KEGG
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antibodypedia
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| 8.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human Cdc7 using biotin-C6linker-TPSDSLIYDDGLS as substrate after 1 hr |
ACS Med Chem Lett 4: 211-5 (2013)
Article DOI: 10.1021/ml300348c
BindingDB Entry DOI: 10.7270/Q2DR2WT6 |
More data for this
Ligand-Target Pair | |
Cell division cycle 7-related protein kinase
(Homo sapiens (Human)) | BDBM50426471
(CHEMBL2322679)Show InChI InChI=1S/C19H22N4/c1-13-10-14(17-12-21-19-16(17)8-5-9-20-19)11-18(22-13)23-15-6-3-2-4-7-15/h5,8-12,15H,2-4,6-7H2,1H3,(H,20,21)(H,22,23) | PDB
Reactome pathway
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| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human Cdc7 using biotin-C6linker-TPSDSLIYDDGLS as substrate after 1 hr |
ACS Med Chem Lett 4: 211-5 (2013)
Article DOI: 10.1021/ml300348c
BindingDB Entry DOI: 10.7270/Q2DR2WT6 |
More data for this
Ligand-Target Pair | |
Cell division cycle 7-related protein kinase
(Homo sapiens (Human)) | BDBM50426470
(CHEMBL2322680)Show InChI InChI=1S/C20H18N4/c1-14-10-16(18-13-23-20-17(18)8-5-9-21-20)11-19(24-14)22-12-15-6-3-2-4-7-15/h2-11,13H,12H2,1H3,(H,21,23)(H,22,24) | PDB
Reactome pathway
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| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human Cdc7 using biotin-C6linker-TPSDSLIYDDGLS as substrate after 1 hr |
ACS Med Chem Lett 4: 211-5 (2013)
Article DOI: 10.1021/ml300348c
BindingDB Entry DOI: 10.7270/Q2DR2WT6 |
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50043634
(CHEMBL3355519)Show SMILES Clc1ccccc1-n1c2nccn2c2nc(Nc3ccccc3)ncc2c1=O |(19.06,-2.71,;17.73,-3.49,;16.4,-2.72,;15.07,-3.49,;15.06,-5.04,;16.4,-5.81,;17.74,-5.04,;19.07,-5.81,;19.08,-7.35,;17.94,-8.37,;18.55,-9.77,;20.07,-9.61,;20.39,-8.12,;21.72,-7.36,;23.05,-8.13,;24.39,-7.37,;25.72,-8.14,;25.72,-9.68,;24.38,-10.44,;24.38,-11.98,;25.71,-12.76,;27.05,-11.98,;27.05,-10.45,;24.39,-5.82,;23.06,-5.05,;21.73,-5.81,;20.4,-5.04,;20.4,-3.5,)| Show InChI InChI=1S/C20H13ClN6O/c21-15-8-4-5-9-16(15)27-18(28)14-12-23-19(24-13-6-2-1-3-7-13)25-17(14)26-11-10-22-20(26)27/h1-12H,(H,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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| CHEMBL
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| Article
PubMed
| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged human Wee1 |
ACS Med Chem Lett 6: 58-62 (2015)
Article DOI: 10.1021/ml5002745
BindingDB Entry DOI: 10.7270/Q2NZ8972 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM13533
(1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...)Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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CHEMBL
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MCE
MMDB
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| DrugBank
MMDB
PDB
Article
PubMed
| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to full-length GST-tagged p38alpha after 2.5 hrs by TR-FRET competition binding assay |
Bioorg Med Chem Lett 20: 5787-92 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.097
BindingDB Entry DOI: 10.7270/Q2MC907J |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50043642
(CHEMBL3355527)Show SMILES Clc1ccccc1-n1c2nccn2c2nc(Nc3ccc4CCCCc4c3)ncc2c1=O |(61.16,-20.49,;59.83,-21.27,;58.5,-20.5,;57.17,-21.27,;57.16,-22.82,;58.5,-23.59,;59.84,-22.82,;61.17,-23.58,;61.17,-25.13,;60.04,-26.15,;60.65,-27.55,;62.17,-27.39,;62.49,-25.9,;63.82,-25.14,;65.15,-25.91,;66.49,-25.15,;67.82,-25.92,;67.82,-27.46,;66.48,-28.22,;66.47,-29.76,;67.81,-30.53,;67.81,-32.06,;69.13,-32.84,;70.47,-32.07,;70.48,-30.53,;69.15,-29.76,;69.15,-28.22,;66.49,-23.6,;65.16,-22.83,;63.83,-23.59,;62.5,-22.82,;62.5,-21.28,)| Show InChI InChI=1S/C24H19ClN6O/c25-19-7-3-4-8-20(19)31-22(32)18-14-27-23(29-21(18)30-12-11-26-24(30)31)28-17-10-9-15-5-1-2-6-16(15)13-17/h3-4,7-14H,1-2,5-6H2,(H,27,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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| CHEMBL
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| Article
PubMed
| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged human Wee1 |
ACS Med Chem Lett 6: 58-62 (2015)
Article DOI: 10.1021/ml5002745
BindingDB Entry DOI: 10.7270/Q2NZ8972 |
More data for this
Ligand-Target Pair | |
Cell division cycle 7-related protein kinase
(Homo sapiens (Human)) | BDBM50426469
(CHEMBL2322681)Show SMILES Cc1cc(cc(N[C@H]2CC[C@H](O)CC2)n1)-c1c[nH]c2ncccc12 |r,wU:7.6,wD:10.10,(29,-13.79,;29.01,-15.33,;27.68,-16.1,;27.68,-17.64,;29.01,-18.42,;30.35,-17.64,;31.68,-18.41,;33.02,-17.64,;33,-16.1,;34.34,-15.34,;35.67,-16.11,;37.01,-15.34,;35.67,-17.65,;34.34,-18.41,;30.34,-16.09,;26.34,-18.41,;26.18,-19.94,;24.67,-20.27,;23.9,-18.93,;22.4,-18.62,;21.92,-17.16,;22.95,-16.01,;24.46,-16.33,;24.93,-17.79,)| Show InChI InChI=1S/C19H22N4O/c1-12-9-13(17-11-21-19-16(17)3-2-8-20-19)10-18(22-12)23-14-4-6-15(24)7-5-14/h2-3,8-11,14-15,24H,4-7H2,1H3,(H,20,21)(H,22,23)/t14-,15- | PDB
Reactome pathway
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| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human Cdc7 using biotin-C6linker-TPSDSLIYDDGLS as substrate after 1 hr |
ACS Med Chem Lett 4: 211-5 (2013)
Article DOI: 10.1021/ml300348c
BindingDB Entry DOI: 10.7270/Q2DR2WT6 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM13336
(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)Show SMILES CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1 Show InChI InChI=1S/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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CHEMBL
MMDB
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| PDB
Article
PubMed
| 57 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to full-length GST-tagged p38alpha after 2.5 hrs by TR-FRET competition binding assay |
Bioorg Med Chem Lett 20: 5787-92 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.097
BindingDB Entry DOI: 10.7270/Q2MC907J |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50426461
(CHEMBL2322677)Show InChI InChI=1S/C18H19ClN4/c19-16-9-12(15-11-21-18-14(15)7-4-8-20-18)10-17(23-16)22-13-5-2-1-3-6-13/h4,7-11,13H,1-3,5-6H2,(H,20,21)(H,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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| CHEMBL
MMDB
PC cid
PC sid
PDB
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Similars
| PDB
Article
PubMed
| 58 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GSK3beta |
ACS Med Chem Lett 4: 211-5 (2013)
Article DOI: 10.1021/ml300348c
BindingDB Entry DOI: 10.7270/Q2DR2WT6 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cell division cycle 7-related protein kinase
(Homo sapiens (Human)) | BDBM50426462
(CHEMBL2322676)Show SMILES NC(=O)c1cc(cc(N[C@H]2CC[C@H](O)CC2)n1)-c1c[nH]c2ncccc12 |r,wU:9.8,wD:12.12,(34.56,-37.23,;33.23,-38,;31.9,-37.24,;33.24,-39.54,;31.91,-40.31,;31.91,-41.86,;33.24,-42.63,;34.58,-41.86,;35.91,-42.62,;37.25,-41.85,;37.23,-40.32,;38.57,-39.55,;39.9,-40.32,;41.24,-39.55,;39.9,-41.86,;38.57,-42.63,;34.57,-40.3,;30.57,-42.62,;30.41,-44.15,;28.9,-44.48,;28.13,-43.14,;26.63,-42.83,;26.15,-41.37,;27.19,-40.22,;28.69,-40.54,;29.16,-42,)| Show InChI InChI=1S/C19H21N5O2/c20-18(26)16-8-11(15-10-22-19-14(15)2-1-7-21-19)9-17(24-16)23-12-3-5-13(25)6-4-12/h1-2,7-10,12-13,25H,3-6H2,(H2,20,26)(H,21,22)(H,23,24)/t12-,13- | PDB
Reactome pathway
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PC sid
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PubMed
| 67 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human Cdc7 using biotin-C6linker-TPSDSLIYDDGLS as substrate after 1 hr |
ACS Med Chem Lett 4: 211-5 (2013)
Article DOI: 10.1021/ml300348c
BindingDB Entry DOI: 10.7270/Q2DR2WT6 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50327186
(5-(3-tert-butyl-5-(3-naphthalen-1-ylureido)-1H-pyr...)Show SMILES CCN(CC)CCNC(=O)c1cc(ccc1C)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C Show InChI InChI=1S/C32H40N6O2/c1-7-37(8-2)19-18-33-30(39)26-20-24(17-16-22(26)3)38-29(21-28(36-38)32(4,5)6)35-31(40)34-27-15-11-13-23-12-9-10-14-25(23)27/h9-17,20-21H,7-8,18-19H2,1-6H3,(H,33,39)(H2,34,35,40) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 86 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to full-length GST-tagged p38alpha after 2.5 hrs by TR-FRET competition binding assay |
Bioorg Med Chem Lett 20: 5787-92 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.097
BindingDB Entry DOI: 10.7270/Q2MC907J |
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50043636
(CHEMBL3355521)Show SMILES Clc1ccccc1-n1c2nccn2c2nc(Nc3ccc(cc3)C3CCCCC3)ncc2c1=O |(45.96,-2.98,;44.63,-3.76,;43.3,-2.99,;41.97,-3.76,;41.97,-5.31,;43.3,-6.08,;44.64,-5.31,;45.97,-6.08,;45.97,-7.62,;44.84,-8.64,;45.45,-10.04,;46.97,-9.88,;47.29,-8.39,;48.62,-7.63,;49.95,-8.4,;51.29,-7.64,;52.62,-8.41,;52.62,-9.95,;51.28,-10.71,;51.28,-12.25,;52.61,-13.03,;53.95,-12.25,;53.95,-10.72,;52.61,-14.56,;51.27,-15.33,;51.27,-16.86,;52.6,-17.64,;53.93,-16.87,;53.94,-15.33,;51.29,-6.09,;49.96,-5.32,;48.63,-6.09,;47.3,-5.31,;47.3,-3.77,)| Show InChI InChI=1S/C26H23ClN6O/c27-21-8-4-5-9-22(21)33-24(34)20-16-29-25(31-23(20)32-15-14-28-26(32)33)30-19-12-10-18(11-13-19)17-6-2-1-3-7-17/h4-5,8-17H,1-3,6-7H2,(H,29,30,31) | PDB
MMDB
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Reactome pathway
KEGG
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| Article
PubMed
| 87 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged human Wee1 |
ACS Med Chem Lett 6: 58-62 (2015)
Article DOI: 10.1021/ml5002745
BindingDB Entry DOI: 10.7270/Q2NZ8972 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50327185
(CHEMBL1256034 | N-(3-aminopropyl)-5-(3-tert-butyl-...)Show SMILES Cc1ccc(cc1C(=O)N(CCCN)C1CCCCC1)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C Show InChI InChI=1S/C35H44N6O2/c1-24-18-19-27(22-29(24)33(42)40(21-11-20-36)26-14-6-5-7-15-26)41-32(23-31(39-41)35(2,3)4)38-34(43)37-30-17-10-13-25-12-8-9-16-28(25)30/h8-10,12-13,16-19,22-23,26H,5-7,11,14-15,20-21,36H2,1-4H3,(H2,37,38,43) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 89 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to full-length GST-tagged p38alpha after 2.5 hrs by TR-FRET competition binding assay |
Bioorg Med Chem Lett 20: 5787-92 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.097
BindingDB Entry DOI: 10.7270/Q2MC907J |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50327187
(1-{5-tert-Butyl-2-[3-(1,1,3-trioxo-1lambda*6*-[1,2...)Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Cl)cc2)n(n1)-c1cccc(CN2C(O)=CNS2(=O)=O)c1 |c:30| Show InChI InChI=1S/C23H25ClN6O4S/c1-23(2,3)19-12-20(27-22(32)26-17-9-7-16(24)8-10-17)30(28-19)18-6-4-5-15(11-18)14-29-21(31)13-25-35(29,33)34/h4-13,25,31H,14H2,1-3H3,(H2,26,27,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| 99 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to full-length GST-tagged p38alpha after 2.5 hrs by TR-FRET competition binding assay |
Bioorg Med Chem Lett 20: 5787-92 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.097
BindingDB Entry DOI: 10.7270/Q2MC907J |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50327184
(5-[3-tert-Butyl-5-(3-naphthalen-1-yl-ureido)-pyraz...)Show SMILES Cc1ccc(cc1C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C |r| Show InChI InChI=1S/C30H33N5O5S/c1-18-12-13-20(14-22(18)28(37)31-24-16-41(39,40)17-25(24)36)35-27(15-26(34-35)30(2,3)4)33-29(38)32-23-11-7-9-19-8-5-6-10-21(19)23/h5-15,24-25,36H,16-17H2,1-4H3,(H,31,37)(H2,32,33,38)/t24-,25-/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
| 112 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to full-length GST-tagged p38alpha after 2.5 hrs by TR-FRET competition binding assay |
Bioorg Med Chem Lett 20: 5787-92 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.097
BindingDB Entry DOI: 10.7270/Q2MC907J |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50327183
(5-(3-tert-butyl-5-(3-naphthalen-1-ylureido)-1H-pyr...)Show SMILES CN1CCN(CCNC(=O)c2cc(ccc2C)-n2nc(cc2NC(=O)Nc2cccc3ccccc23)C(C)(C)C)CC1 Show InChI InChI=1S/C33H41N7O2/c1-23-13-14-25(21-27(23)31(41)34-15-16-39-19-17-38(5)18-20-39)40-30(22-29(37-40)33(2,3)4)36-32(42)35-28-12-8-10-24-9-6-7-11-26(24)28/h6-14,21-22H,15-20H2,1-5H3,(H,34,41)(H2,35,36,42) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to full-length GST-tagged p38alpha after 2.5 hrs by TR-FRET competition binding assay |
Bioorg Med Chem Lett 20: 5787-92 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.097
BindingDB Entry DOI: 10.7270/Q2MC907J |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50327182
(CHEMBL1257691 | N-(2-aminoethyl)-5-(3-tert-butyl-5...)Show SMILES CCN(CCN)C(=O)c1cc(ccc1C)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C Show InChI InChI=1S/C30H36N6O2/c1-6-35(17-16-31)28(37)24-18-22(15-14-20(24)2)36-27(19-26(34-36)30(3,4)5)33-29(38)32-25-13-9-11-21-10-7-8-12-23(21)25/h7-15,18-19H,6,16-17,31H2,1-5H3,(H2,32,33,38) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 157 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to full-length GST-tagged p38alpha after 2.5 hrs by TR-FRET competition binding assay |
Bioorg Med Chem Lett 20: 5787-92 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.097
BindingDB Entry DOI: 10.7270/Q2MC907J |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50327181
(5-(3-tert-butyl-5-(3-naphthalen-1-ylureido)-1H-pyr...)Show SMILES Cc1ccc(cc1C(=O)NCc1ccncc1)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C Show InChI InChI=1S/C32H32N6O2/c1-21-12-13-24(18-26(21)30(39)34-20-22-14-16-33-17-15-22)38-29(19-28(37-38)32(2,3)4)36-31(40)35-27-11-7-9-23-8-5-6-10-25(23)27/h5-19H,20H2,1-4H3,(H,34,39)(H2,35,36,40) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 176 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to full-length GST-tagged p38alpha after 2.5 hrs by TR-FRET competition binding assay |
Bioorg Med Chem Lett 20: 5787-92 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.097
BindingDB Entry DOI: 10.7270/Q2MC907J |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50327180
(5-(3-tert-butyl-5-(3-naphthalen-1-ylureido)-1H-pyr...)Show SMILES Cc1ccc(cc1C(=O)NCC#N)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C Show InChI InChI=1S/C28H28N6O2/c1-18-12-13-20(16-22(18)26(35)30-15-14-29)34-25(17-24(33-34)28(2,3)4)32-27(36)31-23-11-7-9-19-8-5-6-10-21(19)23/h5-13,16-17H,15H2,1-4H3,(H,30,35)(H2,31,32,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 252 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to full-length GST-tagged p38alpha after 2.5 hrs by TR-FRET competition binding assay |
Bioorg Med Chem Lett 20: 5787-92 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.097
BindingDB Entry DOI: 10.7270/Q2MC907J |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50327188
(5-(3-tert-butyl-5-(3-naphthalen-1-ylureido)-1H-pyr...)Show SMILES Cc1ccc(cc1C(=O)NCCCO)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C Show InChI InChI=1S/C29H33N5O3/c1-19-13-14-21(17-23(19)27(36)30-15-8-16-35)34-26(18-25(33-34)29(2,3)4)32-28(37)31-24-12-7-10-20-9-5-6-11-22(20)24/h5-7,9-14,17-18,35H,8,15-16H2,1-4H3,(H,30,36)(H2,31,32,37) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 283 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to full-length GST-tagged p38alpha after 2.5 hrs by TR-FRET competition binding assay |
Bioorg Med Chem Lett 20: 5787-92 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.097
BindingDB Entry DOI: 10.7270/Q2MC907J |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50327189
(5-(3-tert-butyl-5-(3-naphthalen-1-ylureido)-1H-pyr...)Show SMILES Cc1ccc(cc1C(=O)NCCCN1CCOCC1)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C Show InChI InChI=1S/C33H40N6O3/c1-23-13-14-25(21-27(23)31(40)34-15-8-16-38-17-19-42-20-18-38)39-30(22-29(37-39)33(2,3)4)36-32(41)35-28-12-7-10-24-9-5-6-11-26(24)28/h5-7,9-14,21-22H,8,15-20H2,1-4H3,(H,34,40)(H2,35,36,41) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 291 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to full-length GST-tagged p38alpha after 2.5 hrs by TR-FRET competition binding assay |
Bioorg Med Chem Lett 20: 5787-92 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.097
BindingDB Entry DOI: 10.7270/Q2MC907J |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50327190
(5-(3-tert-butyl-5-(3-naphthalen-1-ylureido)-1H-pyr...)Show SMILES Cc1ccc(cc1C(=O)NCCCN1CCCC1)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C Show InChI InChI=1S/C33H40N6O2/c1-23-15-16-25(21-27(23)31(40)34-17-10-20-38-18-7-8-19-38)39-30(22-29(37-39)33(2,3)4)36-32(41)35-28-14-9-12-24-11-5-6-13-26(24)28/h5-6,9,11-16,21-22H,7-8,10,17-20H2,1-4H3,(H,34,40)(H2,35,36,41) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 301 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to full-length GST-tagged p38alpha after 2.5 hrs by TR-FRET competition binding assay |
Bioorg Med Chem Lett 20: 5787-92 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.097
BindingDB Entry DOI: 10.7270/Q2MC907J |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50327191
(CHEMBL1258158 | N-(3-aminopropyl)-5-(3-tert-butyl-...)Show SMILES CC(C)N(CCCN)C(=O)c1cc(ccc1C)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C Show InChI InChI=1S/C32H40N6O2/c1-21(2)37(18-10-17-33)30(39)26-19-24(16-15-22(26)3)38-29(20-28(36-38)32(4,5)6)35-31(40)34-27-14-9-12-23-11-7-8-13-25(23)27/h7-9,11-16,19-21H,10,17-18,33H2,1-6H3,(H2,34,35,40) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 312 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to full-length GST-tagged p38alpha after 2.5 hrs by TR-FRET competition binding assay |
Bioorg Med Chem Lett 20: 5787-92 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.097
BindingDB Entry DOI: 10.7270/Q2MC907J |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50327192
(5-(3-tert-butyl-5-(3-naphthalen-1-ylureido)-1H-pyr...)Show SMILES Cc1ccc(cc1C(=O)NCc1ccncn1)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C Show InChI InChI=1S/C31H31N7O2/c1-20-12-13-23(16-25(20)29(39)33-18-22-14-15-32-19-34-22)38-28(17-27(37-38)31(2,3)4)36-30(40)35-26-11-7-9-21-8-5-6-10-24(21)26/h5-17,19H,18H2,1-4H3,(H,33,39)(H2,35,36,40) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 327 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to full-length GST-tagged p38alpha after 2.5 hrs by TR-FRET competition binding assay |
Bioorg Med Chem Lett 20: 5787-92 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.097
BindingDB Entry DOI: 10.7270/Q2MC907J |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50327193
(5-(3-tert-butyl-5-(3-naphthalen-1-ylureido)-1H-pyr...)Show SMILES COCCCN1CCC(CC1)NC(=O)c1cc(ccc1C)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C Show InChI InChI=1S/C35H44N6O3/c1-24-14-15-27(22-29(24)33(42)36-26-16-19-40(20-17-26)18-9-21-44-5)41-32(23-31(39-41)35(2,3)4)38-34(43)37-30-13-8-11-25-10-6-7-12-28(25)30/h6-8,10-15,22-23,26H,9,16-21H2,1-5H3,(H,36,42)(H2,37,38,43) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 336 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to full-length GST-tagged p38alpha after 2.5 hrs by TR-FRET competition binding assay |
Bioorg Med Chem Lett 20: 5787-92 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.097
BindingDB Entry DOI: 10.7270/Q2MC907J |
More data for this
Ligand-Target Pair | |
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