Found 161 hits with Last Name = 'yoshinari' and Initial = 'k' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50494481
(CHEMBL3092178)Show SMILES CNS(=O)(=O)Nc1cccc(Cc2c(C)c3cc(I)c(OC(=O)N(C)C)cc3oc2=O)c1 Show InChI InChI=1S/C21H22IN3O6S/c1-12-15-10-17(22)19(31-21(27)25(3)4)11-18(15)30-20(26)16(12)9-13-6-5-7-14(8-13)24-32(28,29)23-2/h5-8,10-11,23-24H,9H2,1-4H3 | PDB
MMDB
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 |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of MEK1 (unknown origin) assessed as phosphorylation of Erk2 preincubated for 30 mins followed by FAM-Erktide addition measured after 60 m... |
ACS Med Chem Lett 4: 1059-63 (2013)
Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50175003
(CHEMBL3808812)Show SMILES CCN1CCN(CC1)c1cc(F)c(NC(=O)N2CCc3c2nc(nc3-c2cnc(N)nc2)N2CCOCC2)c(F)c1 Show InChI InChI=1S/C27H32F2N10O2/c1-2-36-5-7-37(8-6-36)18-13-20(28)23(21(29)14-18)34-27(40)39-4-3-19-22(17-15-31-25(30)32-16-17)33-26(35-24(19)39)38-9-11-41-12-10-38/h13-16H,2-12H2,1H3,(H,34,40)(H2,30,31,32) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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 |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human PI3K p110beta/p85alpha expressed in baculovirus preincubated for 20 mins followed by addition of phosphorylate phosphatidylinosit... |
Bioorg Med Chem 24: 2897-2906 (2016)
Article DOI: 10.1016/j.bmc.2016.04.060
BindingDB Entry DOI: 10.7270/Q21J9CQT |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50443366
(CHEMBL3086065)Show SMILES CNS(=O)(=O)Nc1cccc(Cc2c(C)c3cc(Cl)c(OC(=O)N(C)C)cc3oc2=O)c1 Show InChI InChI=1S/C21H22ClN3O6S/c1-12-15-10-17(22)19(31-21(27)25(3)4)11-18(15)30-20(26)16(12)9-13-6-5-7-14(8-13)24-32(28,29)23-2/h5-8,10-11,23-24H,9H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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 |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of MEK1 (unknown origin) assessed as phosphorylation of Erk2 preincubated for 30 mins followed by FAM-Erktide addition measured after 60 m... |
ACS Med Chem Lett 4: 1059-63 (2013)
Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50494482
(CHEMBL3092191)Show SMILES CNS(=O)(=O)Nc1cccc(Cc2c(C)c3ccc(OC(=O)N(C)C)cc3oc2=O)c1F Show InChI InChI=1S/C21H22FN3O6S/c1-12-15-9-8-14(30-21(27)25(3)4)11-18(15)31-20(26)16(12)10-13-6-5-7-17(19(13)22)24-32(28,29)23-2/h5-9,11,23-24H,10H2,1-4H3 | 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 | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of C-Raf (unknown origin) assessed as phosphorylation of MEK1 after 45 mins by TR-FRET assay |
ACS Med Chem Lett 4: 1059-63 (2013)
Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50443366
(CHEMBL3086065)Show SMILES CNS(=O)(=O)Nc1cccc(Cc2c(C)c3cc(Cl)c(OC(=O)N(C)C)cc3oc2=O)c1 Show InChI InChI=1S/C21H22ClN3O6S/c1-12-15-10-17(22)19(31-21(27)25(3)4)11-18(15)30-20(26)16(12)9-13-6-5-7-14(8-13)24-32(28,29)23-2/h5-8,10-11,23-24H,9H2,1-4H3 | 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 | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of C-Raf (unknown origin) assessed as phosphorylation of MEK1 after 45 mins by TR-FRET assay |
ACS Med Chem Lett 4: 1059-63 (2013)
Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50338198
(3-(2-morpholino-7-(pyridin-4-yl)-6,7-dihydro-5H-py...)Show SMILES Oc1cccc(c1)-c1nc(nc2N(CCc12)c1ccncc1)N1CCOCC1 Show InChI InChI=1S/C21H21N5O2/c27-17-3-1-2-15(14-17)19-18-6-9-26(16-4-7-22-8-5-16)20(18)24-21(23-19)25-10-12-28-13-11-25/h1-5,7-8,14,27H,6,9-13H2 | 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
| n/a | n/a | 8.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha |
Bioorg Med Chem Lett 21: 1767-72 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.065
BindingDB Entry DOI: 10.7270/Q23B60F3 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50338198
(3-(2-morpholino-7-(pyridin-4-yl)-6,7-dihydro-5H-py...)Show SMILES Oc1cccc(c1)-c1nc(nc2N(CCc12)c1ccncc1)N1CCOCC1 Show InChI InChI=1S/C21H21N5O2/c27-17-3-1-2-15(14-17)19-18-6-9-26(16-4-7-22-8-5-16)20(18)24-21(23-19)25-10-12-28-13-11-25/h1-5,7-8,14,27H,6,9-13H2 | 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
| n/a | n/a | 8.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) using phosphatidylinositol 4,5-bisphosphate as substrate |
Bioorg Med Chem Lett 23: 673-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.112
BindingDB Entry DOI: 10.7270/Q2KS6SVT |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50175020
(CHEMBL3810369)Show SMILES CCN1CCN(CC1)c1ccc(NC(=O)N2CCc3c2nc(nc3-c2cnc(N)nc2)N2CCOCC2)c(C)c1 Show InChI InChI=1S/C19H13Cl2F3N2OS/c20-14-2-1-3-15(21)13(14)8-9-17-26-16(10-28-17)18(27)25-12-6-4-11(5-7-12)19(22,23)24/h1-7,10H,8-9H2,(H,25,27) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human PI3K p110alpha/p85alpha expressed in baculovirus preincubated for 20 mins followed by addition of phosphorylate phosphatidylinosi... |
Bioorg Med Chem 24: 2897-2906 (2016)
Article DOI: 10.1016/j.bmc.2016.04.060
BindingDB Entry DOI: 10.7270/Q21J9CQT |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50494494
(CHEMBL3092185)Show SMILES CN(C)C(=O)Oc1ccc2c(C)c(Cc3cccc(NS(N)(=O)=O)c3F)c(=O)oc2c1 Show InChI InChI=1S/C20H20FN3O6S/c1-11-14-8-7-13(29-20(26)24(2)3)10-17(14)30-19(25)15(11)9-12-5-4-6-16(18(12)21)23-31(22,27)28/h4-8,10,23H,9H2,1-3H3,(H2,22,27,28) | 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 | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of C-Raf (unknown origin) assessed as phosphorylation of MEK1 after 45 mins by TR-FRET assay |
ACS Med Chem Lett 4: 1059-63 (2013)
Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50174998
(CHEMBL3808691)Show SMILES Nc1ncc(cn1)-c1nc(nc2N(CCc12)C(=O)Nc1ccccc1)N1CCOCC1 Show InChI InChI=1S/C21H22N8O2/c22-19-23-12-14(13-24-19)17-16-6-7-29(21(30)25-15-4-2-1-3-5-15)18(16)27-20(26-17)28-8-10-31-11-9-28/h1-5,12-13H,6-11H2,(H,25,30)(H2,22,23,24) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human PI3K p110alpha/p85alpha expressed in baculovirus preincubated for 20 mins followed by addition of phosphorylate phosphatidylinosi... |
Bioorg Med Chem 24: 2897-2906 (2016)
Article DOI: 10.1016/j.bmc.2016.04.060
BindingDB Entry DOI: 10.7270/Q21J9CQT |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50499395
(CHEMBL3735840)Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C26H31N9O2/c1-32-8-10-33(11-9-32)24(36)18-2-4-20(5-3-18)35-7-6-21-22(19-16-28-25(27)29-17-19)30-26(31-23(21)35)34-12-14-37-15-13-34/h2-5,16-17H,6-15H2,1H3,(H2,27,28,29) | 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 | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) by adapta universal kinase assay |
Bioorg Med Chem 23: 7650-60 (2015)
Article DOI: 10.1016/j.bmc.2015.11.009
BindingDB Entry DOI: 10.7270/Q2CN76XT |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50338197
(5-(7-(methylsulfonyl)-2-morpholino-6,7-dihydro-5H-...)Show SMILES CS(=O)(=O)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C15H19N7O3S/c1-26(23,24)22-3-2-11-12(10-8-17-14(16)18-9-10)19-15(20-13(11)22)21-4-6-25-7-5-21/h8-9H,2-7H2,1H3,(H2,16,17,18) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha |
Bioorg Med Chem Lett 21: 1767-72 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.065
BindingDB Entry DOI: 10.7270/Q23B60F3 |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50010471
(CHEMBL3263999)Show SMILES CNS(=O)(=O)Nc1nccc(Cc2c(C)c3ccc(Oc4ccccc4)cc3oc2=O)c1F Show InChI InChI=1S/C23H20FN3O5S/c1-14-18-9-8-17(31-16-6-4-3-5-7-16)13-20(18)32-23(28)19(14)12-15-10-11-26-22(21(15)24)27-33(29,30)25-2/h3-11,13,25H,12H2,1-2H3,(H,26,27) | 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 | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of truncated active C-Raf (unknown origin) assessed as MEK1 phosphorylation using inactive MEK1 K97R as substrate after 45 mins |
ACS Med Chem Lett 5: 309-14 (2014)
Article DOI: 10.1021/ml400379x
BindingDB Entry DOI: 10.7270/Q27W6DQD |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50175003
(CHEMBL3808812)Show SMILES CCN1CCN(CC1)c1cc(F)c(NC(=O)N2CCc3c2nc(nc3-c2cnc(N)nc2)N2CCOCC2)c(F)c1 Show InChI InChI=1S/C27H32F2N10O2/c1-2-36-5-7-37(8-6-36)18-13-20(28)23(21(29)14-18)34-27(40)39-4-3-19-22(17-15-31-25(30)32-16-17)33-26(35-24(19)39)38-9-11-41-12-10-38/h13-16H,2-12H2,1H3,(H,34,40)(H2,30,31,32) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human PI3K p110alpha/p85alpha expressed in baculovirus preincubated for 20 mins followed by addition of phosphorylate phosphatidylinosi... |
Bioorg Med Chem 24: 2897-2906 (2016)
Article DOI: 10.1016/j.bmc.2016.04.060
BindingDB Entry DOI: 10.7270/Q21J9CQT |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50010463
(CHEMBL3092195)Show SMILES CNS(=O)(=O)Nc1cccc(Cc2c(C)c3ccc(Oc4ncccn4)cc3oc2=O)c1F Show InChI InChI=1S/C22H19FN4O5S/c1-13-16-8-7-15(31-22-25-9-4-10-26-22)12-19(16)32-21(28)17(13)11-14-5-3-6-18(20(14)23)27-33(29,30)24-2/h3-10,12,24,27H,11H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of truncated active C-Raf (unknown origin) assessed as MEK1 phosphorylation using inactive MEK1 K97R as substrate after 45 mins |
ACS Med Chem Lett 5: 309-14 (2014)
Article DOI: 10.1021/ml400379x
BindingDB Entry DOI: 10.7270/Q27W6DQD |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50010463
(CHEMBL3092195)Show SMILES CNS(=O)(=O)Nc1cccc(Cc2c(C)c3ccc(Oc4ncccn4)cc3oc2=O)c1F Show InChI InChI=1S/C22H19FN4O5S/c1-13-16-8-7-15(31-22-25-9-4-10-26-22)12-19(16)32-21(28)17(13)11-14-5-3-6-18(20(14)23)27-33(29,30)24-2/h3-10,12,24,27H,11H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of C-Raf (unknown origin) assessed as phosphorylation of MEK1 after 45 mins by TR-FRET assay |
ACS Med Chem Lett 4: 1059-63 (2013)
Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50499397
(CHEMBL3734954)Show SMILES CN1CCN(CC1)C(=O)c1ccc(cn1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C25H30N10O2/c1-32-6-8-33(9-7-32)23(36)20-3-2-18(16-27-20)35-5-4-19-21(17-14-28-24(26)29-15-17)30-25(31-22(19)35)34-10-12-37-13-11-34/h2-3,14-16H,4-13H2,1H3,(H2,26,28,29) | 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 | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) by adapta universal kinase assay |
Bioorg Med Chem 23: 7650-60 (2015)
Article DOI: 10.1016/j.bmc.2015.11.009
BindingDB Entry DOI: 10.7270/Q2CN76XT |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50494481
(CHEMBL3092178)Show SMILES CNS(=O)(=O)Nc1cccc(Cc2c(C)c3cc(I)c(OC(=O)N(C)C)cc3oc2=O)c1 Show InChI InChI=1S/C21H22IN3O6S/c1-12-15-10-17(22)19(31-21(27)25(3)4)11-18(15)30-20(26)16(12)9-13-6-5-7-14(8-13)24-32(28,29)23-2/h5-8,10-11,23-24H,9H2,1-4H3 | 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 | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of C-Raf (unknown origin) assessed as phosphorylation of MEK1 after 45 mins by TR-FRET assay |
ACS Med Chem Lett 4: 1059-63 (2013)
Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50175021
(CHEMBL3810395)Show SMILES CCN1CCN(CC1)C(=O)c1ccc(NC(=O)N2CCc3c2nc(nc3-c2cnc(N)nc2)N2CCOCC2)c(C)c1 Show InChI InChI=1S/C16H9Cl2F3N4OS/c17-10-5-22-6-11(18)13(10)25-15-24-12(7-27-15)14(26)23-9-3-1-8(2-4-9)16(19,20)21/h1-7H,(H,23,26)(H,22,24,25) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human PI3K p110alpha/p85alpha expressed in baculovirus preincubated for 20 mins followed by addition of phosphorylate phosphatidylinosi... |
Bioorg Med Chem 24: 2897-2906 (2016)
Article DOI: 10.1016/j.bmc.2016.04.060
BindingDB Entry DOI: 10.7270/Q21J9CQT |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50494484
(CHEMBL3092176)Show SMILES CNS(=O)(=O)Nc1cccc(Cc2c(C)c3ccc(Oc4nccs4)cc3oc2=O)c1F Show InChI InChI=1S/C21H18FN3O5S2/c1-12-15-7-6-14(29-21-24-8-9-31-21)11-18(15)30-20(26)16(12)10-13-4-3-5-17(19(13)22)25-32(27,28)23-2/h3-9,11,23,25H,10H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of MEK1 (unknown origin) assessed as phosphorylation of Erk2 preincubated for 30 mins followed by FAM-Erktide addition measured after 60 m... |
ACS Med Chem Lett 4: 1059-63 (2013)
Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50425230
(CHEMBL2314287)Show SMILES Nc1ncc(cn1)-c1nc(nc2N(CCc12)c1ccncc1)N1CCOCC1 Show InChI InChI=1S/C19H20N8O/c20-18-22-11-13(12-23-18)16-15-3-6-27(14-1-4-21-5-2-14)17(15)25-19(24-16)26-7-9-28-10-8-26/h1-2,4-5,11-12H,3,6-10H2,(H2,20,22,23) | 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 | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) using phosphatidylinositol 4,5-bisphosphate as substrate |
Bioorg Med Chem Lett 23: 673-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.112
BindingDB Entry DOI: 10.7270/Q2KS6SVT |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50010469
(CHEMBL3092179)Show SMILES CNS(=O)(=O)Nc1cccc(Cc2c(C)c3cc(C)c(OC(=O)N(C)C)cc3oc2=O)c1 Show InChI InChI=1S/C22H25N3O6S/c1-13-9-17-14(2)18(11-15-7-6-8-16(10-15)24-32(28,29)23-3)21(26)30-20(17)12-19(13)31-22(27)25(4)5/h6-10,12,23-24H,11H2,1-5H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of MEK1 (unknown origin) assessed as phosphorylation of Erk2 preincubated for 30 mins followed by FAM-Erktide addition measured after 60 m... |
ACS Med Chem Lett 4: 1059-63 (2013)
Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50499396
(CHEMBL3736189)Show SMILES CN1CCN(CC1)C(=O)c1cncc(c1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C25H30N10O2/c1-32-4-6-33(7-5-32)23(36)17-12-19(16-27-13-17)35-3-2-20-21(18-14-28-24(26)29-15-18)30-25(31-22(20)35)34-8-10-37-11-9-34/h12-16H,2-11H2,1H3,(H2,26,28,29) | 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 | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) by adapta universal kinase assay |
Bioorg Med Chem 23: 7650-60 (2015)
Article DOI: 10.1016/j.bmc.2015.11.009
BindingDB Entry DOI: 10.7270/Q2CN76XT |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50010465
(CHEMBL3263996)Show SMILES CNS(=O)(=O)Nc1cc(Cc2c(C)c3ccc(OC(=O)N(C)C)cc3oc2=O)ccn1 Show InChI InChI=1S/C20H22N4O6S/c1-12-15-6-5-14(29-20(26)24(3)4)11-17(15)30-19(25)16(12)9-13-7-8-22-18(10-13)23-31(27,28)21-2/h5-8,10-11,21H,9H2,1-4H3,(H,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of truncated active C-Raf (unknown origin) assessed as MEK1 phosphorylation using inactive MEK1 K97R as substrate after 45 mins |
ACS Med Chem Lett 5: 309-14 (2014)
Article DOI: 10.1021/ml400379x
BindingDB Entry DOI: 10.7270/Q27W6DQD |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50338199
(5-(2-Morpholin-4-yl-7-pyridin-3-yl-6,7-dihydro-5H-...)Show SMILES Nc1ncc(cn1)-c1nc(nc2N(CCc12)c1cccnc1)N1CCOCC1 Show InChI InChI=1S/C19H20N8O/c20-18-22-10-13(11-23-18)16-15-3-5-27(14-2-1-4-21-12-14)17(15)25-19(24-16)26-6-8-28-9-7-26/h1-2,4,10-12H,3,5-9H2,(H2,20,22,23) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human PI3K p110alpha/p85alpha expressed in baculovirus preincubated for 20 mins followed by addition of phosphorylate phosphatidylinosi... |
Bioorg Med Chem 24: 2897-2906 (2016)
Article DOI: 10.1016/j.bmc.2016.04.060
BindingDB Entry DOI: 10.7270/Q21J9CQT |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50338199
(5-(2-Morpholin-4-yl-7-pyridin-3-yl-6,7-dihydro-5H-...)Show SMILES Nc1ncc(cn1)-c1nc(nc2N(CCc12)c1cccnc1)N1CCOCC1 Show InChI InChI=1S/C19H20N8O/c20-18-22-10-13(11-23-18)16-15-3-5-27(14-2-1-4-21-12-14)17(15)25-19(24-16)26-6-8-28-9-7-26/h1-2,4,10-12H,3,5-9H2,(H2,20,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha |
Bioorg Med Chem Lett 21: 1767-72 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.065
BindingDB Entry DOI: 10.7270/Q23B60F3 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50338199
(5-(2-Morpholin-4-yl-7-pyridin-3-yl-6,7-dihydro-5H-...)Show SMILES Nc1ncc(cn1)-c1nc(nc2N(CCc12)c1cccnc1)N1CCOCC1 Show InChI InChI=1S/C19H20N8O/c20-18-22-10-13(11-23-18)16-15-3-5-27(14-2-1-4-21-12-14)17(15)25-19(24-16)26-6-8-28-9-7-26/h1-2,4,10-12H,3,5-9H2,(H2,20,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) using phosphatidylinositol 4,5-bisphosphate as substrate |
Bioorg Med Chem Lett 23: 673-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.112
BindingDB Entry DOI: 10.7270/Q2KS6SVT |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50338199
(5-(2-Morpholin-4-yl-7-pyridin-3-yl-6,7-dihydro-5H-...)Show SMILES Nc1ncc(cn1)-c1nc(nc2N(CCc12)c1cccnc1)N1CCOCC1 Show InChI InChI=1S/C19H20N8O/c20-18-22-10-13(11-23-18)16-15-3-5-27(14-2-1-4-21-12-14)17(15)25-19(24-16)26-6-8-28-9-7-26/h1-2,4,10-12H,3,5-9H2,(H2,20,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) by adapta universal kinase assay |
Bioorg Med Chem 23: 7650-60 (2015)
Article DOI: 10.1016/j.bmc.2015.11.009
BindingDB Entry DOI: 10.7270/Q2CN76XT |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50499390
(CHEMBL3736165)Show SMILES Nc1ncc(cn1)-c1nc(nc2N(CCc12)c1ccccc1)N1CCOCC1 Show InChI InChI=1S/C20H21N7O/c21-19-22-12-14(13-23-19)17-16-6-7-27(15-4-2-1-3-5-15)18(16)25-20(24-17)26-8-10-28-11-9-26/h1-5,12-13H,6-11H2,(H2,21,22,23) | 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 | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) by adapta universal kinase assay |
Bioorg Med Chem 23: 7650-60 (2015)
Article DOI: 10.1016/j.bmc.2015.11.009
BindingDB Entry DOI: 10.7270/Q2CN76XT |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50338197
(5-(7-(methylsulfonyl)-2-morpholino-6,7-dihydro-5H-...)Show SMILES CS(=O)(=O)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C15H19N7O3S/c1-26(23,24)22-3-2-11-12(10-8-17-14(16)18-9-10)19-15(20-13(11)22)21-4-6-25-7-5-21/h8-9H,2-7H2,1H3,(H2,16,17,18) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
| PDB
Article
PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kgamma |
Bioorg Med Chem Lett 21: 1767-72 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.065
BindingDB Entry DOI: 10.7270/Q23B60F3 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50494482
(CHEMBL3092191)Show SMILES CNS(=O)(=O)Nc1cccc(Cc2c(C)c3ccc(OC(=O)N(C)C)cc3oc2=O)c1F Show InChI InChI=1S/C21H22FN3O6S/c1-12-15-9-8-14(30-21(27)25(3)4)11-18(15)31-20(26)16(12)10-13-6-5-7-17(19(13)22)24-32(28,29)23-2/h5-9,11,23-24H,10H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of MEK1 (unknown origin) assessed as phosphorylation of Erk2 preincubated for 30 mins followed by FAM-Erktide addition measured after 60 m... |
ACS Med Chem Lett 4: 1059-63 (2013)
Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50499394
(CHEMBL3736509)Show SMILES CN1CCN(CC1)C(=O)c1cc(ccn1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C25H30N10O2/c1-32-6-8-33(9-7-32)23(36)20-14-18(2-4-27-20)35-5-3-19-21(17-15-28-24(26)29-16-17)30-25(31-22(19)35)34-10-12-37-13-11-34/h2,4,14-16H,3,5-13H2,1H3,(H2,26,28,29) | 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 | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) by adapta universal kinase assay |
Bioorg Med Chem 23: 7650-60 (2015)
Article DOI: 10.1016/j.bmc.2015.11.009
BindingDB Entry DOI: 10.7270/Q2CN76XT |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50338200
(3-(2-morpholino-7-(pyridin-3-yl)-6,7-dihydro-5H-py...)Show SMILES Oc1cccc(c1)-c1nc(nc2N(CCc12)c1cccnc1)N1CCOCC1 Show InChI InChI=1S/C21H21N5O2/c27-17-5-1-3-15(13-17)19-18-6-8-26(16-4-2-7-22-14-16)20(18)24-21(23-19)25-9-11-28-12-10-25/h1-5,7,13-14,27H,6,8-12H2 | 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
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) using phosphatidylinositol 4,5-bisphosphate as substrate |
Bioorg Med Chem Lett 23: 673-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.112
BindingDB Entry DOI: 10.7270/Q2KS6SVT |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50338200
(3-(2-morpholino-7-(pyridin-3-yl)-6,7-dihydro-5H-py...)Show SMILES Oc1cccc(c1)-c1nc(nc2N(CCc12)c1cccnc1)N1CCOCC1 Show InChI InChI=1S/C21H21N5O2/c27-17-5-1-3-15(13-17)19-18-6-8-26(16-4-2-7-22-14-16)20(18)24-21(23-19)25-9-11-28-12-10-25/h1-5,7,13-14,27H,6,8-12H2 | 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
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha |
Bioorg Med Chem Lett 21: 1767-72 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.065
BindingDB Entry DOI: 10.7270/Q23B60F3 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50499389
(CHEMBL3736206)Show SMILES Nc1ncc(cn1)-c1nc(nc2N(CCc12)c1ccc(cc1F)C(=O)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C25H27FN8O3/c26-19-13-16(23(35)32-5-9-36-10-6-32)1-2-20(19)34-4-3-18-21(17-14-28-24(27)29-15-17)30-25(31-22(18)34)33-7-11-37-12-8-33/h1-2,13-15H,3-12H2,(H2,27,28,29) | 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 | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) by adapta universal kinase assay |
Bioorg Med Chem 23: 7650-60 (2015)
Article DOI: 10.1016/j.bmc.2015.11.009
BindingDB Entry DOI: 10.7270/Q2CN76XT |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50494485
(CHEMBL3092184)Show SMILES CN(C)C(=O)Oc1ccc2c(C)c(Cc3ccc(F)c(NS(N)(=O)=O)c3)c(=O)oc2c1 Show InChI InChI=1S/C20H20FN3O6S/c1-11-14-6-5-13(29-20(26)24(2)3)10-18(14)30-19(25)15(11)8-12-4-7-16(21)17(9-12)23-31(22,27)28/h4-7,9-10,23H,8H2,1-3H3,(H2,22,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of MEK1 (unknown origin) assessed as phosphorylation of Erk2 preincubated for 30 mins followed by FAM-Erktide addition measured after 60 m... |
ACS Med Chem Lett 4: 1059-63 (2013)
Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50499392
(CHEMBL3736186)Show SMILES Nc1ncc(cn1)-c1nc(nc2N(CCc12)c1ccc(CN2CCOCC2)cc1)N1CCOCC1 Show InChI InChI=1S/C25H30N8O2/c26-24-27-15-19(16-28-24)22-21-5-6-33(23(21)30-25(29-22)32-9-13-35-14-10-32)20-3-1-18(2-4-20)17-31-7-11-34-12-8-31/h1-4,15-16H,5-14,17H2,(H2,26,27,28) | 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 | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) by adapta universal kinase assay |
Bioorg Med Chem 23: 7650-60 (2015)
Article DOI: 10.1016/j.bmc.2015.11.009
BindingDB Entry DOI: 10.7270/Q2CN76XT |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50499393
(CHEMBL3735088)Show SMILES CN1CCN(Cc2ccc(cc2)N2CCc3c2nc(nc3-c2cnc(N)nc2)N2CCOCC2)CC1 Show InChI InChI=1S/C26H33N9O/c1-32-8-10-33(11-9-32)18-19-2-4-21(5-3-19)35-7-6-22-23(20-16-28-25(27)29-17-20)30-26(31-24(22)35)34-12-14-36-15-13-34/h2-5,16-17H,6-15,18H2,1H3,(H2,27,28,29) | 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 | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) by adapta universal kinase assay |
Bioorg Med Chem 23: 7650-60 (2015)
Article DOI: 10.1016/j.bmc.2015.11.009
BindingDB Entry DOI: 10.7270/Q2CN76XT |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50425224
(CHEMBL2314582)Show SMILES Oc1cccc(c1)-c1nc(nc2N(CCc12)c1nccs1)N1CCOCC1 Show InChI InChI=1S/C19H19N5O2S/c25-14-3-1-2-13(12-14)16-15-4-6-24(19-20-5-11-27-19)17(15)22-18(21-16)23-7-9-26-10-8-23/h1-3,5,11-12,25H,4,6-10H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) using phosphatidylinositol 4,5-bisphosphate as substrate |
Bioorg Med Chem Lett 23: 673-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.112
BindingDB Entry DOI: 10.7270/Q2KS6SVT |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50175004
(CHEMBL3808686)Show SMILES Cc1ccccc1NC(=O)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C22H24N8O2/c1-14-4-2-3-5-17(14)26-22(31)30-7-6-16-18(15-12-24-20(23)25-13-15)27-21(28-19(16)30)29-8-10-32-11-9-29/h2-5,12-13H,6-11H2,1H3,(H,26,31)(H2,23,24,25) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human PI3K p110alpha/p85alpha expressed in baculovirus preincubated for 20 mins followed by addition of phosphorylate phosphatidylinosi... |
Bioorg Med Chem 24: 2897-2906 (2016)
Article DOI: 10.1016/j.bmc.2016.04.060
BindingDB Entry DOI: 10.7270/Q21J9CQT |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50494494
(CHEMBL3092185)Show SMILES CN(C)C(=O)Oc1ccc2c(C)c(Cc3cccc(NS(N)(=O)=O)c3F)c(=O)oc2c1 Show InChI InChI=1S/C20H20FN3O6S/c1-11-14-8-7-13(29-20(26)24(2)3)10-17(14)30-19(25)15(11)9-12-5-4-6-16(18(12)21)23-31(22,27)28/h4-8,10,23H,9H2,1-3H3,(H2,22,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of MEK1 (unknown origin) assessed as phosphorylation of Erk2 preincubated for 30 mins followed by FAM-Erktide addition measured after 60 m... |
ACS Med Chem Lett 4: 1059-63 (2013)
Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50494493
(CHEMBL3092181)Show SMILES CNS(=O)(=O)Nc1cccc(Cc2c(C)c3cc(C#N)c(OC(=O)N(C)C)cc3oc2=O)c1 Show InChI InChI=1S/C22H22N4O6S/c1-13-17-10-15(12-23)19(32-22(28)26(3)4)11-20(17)31-21(27)18(13)9-14-6-5-7-16(8-14)25-33(29,30)24-2/h5-8,10-11,24-25H,9H2,1-4H3 | 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 | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of C-Raf (unknown origin) assessed as phosphorylation of MEK1 after 45 mins by TR-FRET assay |
ACS Med Chem Lett 4: 1059-63 (2013)
Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50010473
(CHEMBL3264001)Show SMILES CNS(=O)(=O)Nc1nccc(Cc2c(C)c3ccc(Oc4cnccn4)cc3oc2=O)c1F Show InChI InChI=1S/C21H18FN5O5S/c1-12-15-4-3-14(31-18-11-24-7-8-25-18)10-17(15)32-21(28)16(12)9-13-5-6-26-20(19(13)22)27-33(29,30)23-2/h3-8,10-11,23H,9H2,1-2H3,(H,26,27) | 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 | 56 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of truncated active C-Raf (unknown origin) assessed as MEK1 phosphorylation using inactive MEK1 K97R as substrate after 45 mins |
ACS Med Chem Lett 5: 309-14 (2014)
Article DOI: 10.1021/ml400379x
BindingDB Entry DOI: 10.7270/Q27W6DQD |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50010462
(CHEBI:78825 | CHEMBL3264002 | US11147816, RO512676...)Show SMILES CNS(=O)(=O)Nc1nccc(Cc2c(C)c3ccc(Oc4ncccn4)cc3oc2=O)c1F Show InChI InChI=1S/C21H18FN5O5S/c1-12-15-5-4-14(31-21-25-7-3-8-26-21)11-17(15)32-20(28)16(12)10-13-6-9-24-19(18(13)22)27-33(29,30)23-2/h3-9,11,23H,10H2,1-2H3,(H,24,27) | 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
| Article
PubMed
| n/a | n/a | 56 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of truncated active C-Raf (unknown origin) assessed as MEK1 phosphorylation using inactive MEK1 K97R as substrate after 45 mins |
ACS Med Chem Lett 5: 309-14 (2014)
Article DOI: 10.1021/ml400379x
BindingDB Entry DOI: 10.7270/Q27W6DQD |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50494487
(CHEMBL3092196)Show SMILES CNS(=O)(=O)Nc1cccc(Cc2c(C)c3ccc(Oc4nccs4)cc3oc2=O)c1 Show InChI InChI=1S/C21H19N3O5S2/c1-13-17-7-6-16(28-21-23-8-9-30-21)12-19(17)29-20(25)18(13)11-14-4-3-5-15(10-14)24-31(26,27)22-2/h3-10,12,22,24H,11H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 59 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of MEK1 (unknown origin) assessed as phosphorylation of Erk2 preincubated for 30 mins followed by FAM-Erktide addition measured after 60 m... |
ACS Med Chem Lett 4: 1059-63 (2013)
Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50494491
(CHEMBL3092188)Show SMILES CN(C)C(=O)Oc1ccc2c(CF)c(Cc3cccc(NS(N)(=O)=O)c3)c(=O)oc2c1 Show InChI InChI=1S/C20H20FN3O6S/c1-24(2)20(26)29-14-6-7-15-17(11-21)16(19(25)30-18(15)10-14)9-12-4-3-5-13(8-12)23-31(22,27)28/h3-8,10,23H,9,11H2,1-2H3,(H2,22,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of MEK1 (unknown origin) assessed as phosphorylation of Erk2 preincubated for 30 mins followed by FAM-Erktide addition measured after 60 m... |
ACS Med Chem Lett 4: 1059-63 (2013)
Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50494484
(CHEMBL3092176)Show SMILES CNS(=O)(=O)Nc1cccc(Cc2c(C)c3ccc(Oc4nccs4)cc3oc2=O)c1F Show InChI InChI=1S/C21H18FN3O5S2/c1-12-15-7-6-14(29-21-24-8-9-31-21)11-18(15)30-20(26)16(12)10-13-4-3-5-17(19(13)22)25-32(27,28)23-2/h3-9,11,23,25H,10H2,1-2H3 | 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 | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of C-Raf (unknown origin) assessed as phosphorylation of MEK1 after 45 mins by TR-FRET assay |
ACS Med Chem Lett 4: 1059-63 (2013)
Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50494480
(CHEMBL3092192)Show SMILES CNS(=O)(=O)Nc1cccc(Cc2c(C)c3cc(F)c(OC(=O)N(C)C)cc3oc2=O)c1 Show InChI InChI=1S/C21H22FN3O6S/c1-12-15-10-17(22)19(31-21(27)25(3)4)11-18(15)30-20(26)16(12)9-13-6-5-7-14(8-13)24-32(28,29)23-2/h5-8,10-11,23-24H,9H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 64 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of MEK1 (unknown origin) assessed as phosphorylation of Erk2 preincubated for 30 mins followed by FAM-Erktide addition measured after 60 m... |
ACS Med Chem Lett 4: 1059-63 (2013)
Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50175023
(CHEMBL3810130)Show SMILES CCc1ccccc1NC(=O)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C19H13Cl2F3N2OS/c1-10-17(18(27)26-12-7-5-11(6-8-12)19(22,23)24)28-16(25-10)9-13-14(20)3-2-4-15(13)21/h2-8H,9H2,1H3,(H,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 64 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human PI3K p110alpha/p85alpha expressed in baculovirus preincubated for 20 mins followed by addition of phosphorylate phosphatidylinosi... |
Bioorg Med Chem 24: 2897-2906 (2016)
Article DOI: 10.1016/j.bmc.2016.04.060
BindingDB Entry DOI: 10.7270/Q21J9CQT |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50494478
(CHEMBL3092193)Show SMILES CNS(=O)(=O)Nc1cccc(Cc2c(CF)c3ccc(OC(=O)N(C)C)cc3oc2=O)c1 Show InChI InChI=1S/C21H22FN3O6S/c1-23-32(28,29)24-14-6-4-5-13(9-14)10-17-18(12-22)16-8-7-15(30-21(27)25(2)3)11-19(16)31-20(17)26/h4-9,11,23-24H,10,12H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 66 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of MEK1 (unknown origin) assessed as phosphorylation of Erk2 preincubated for 30 mins followed by FAM-Erktide addition measured after 60 m... |
ACS Med Chem Lett 4: 1059-63 (2013)
Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ |
More data for this
Ligand-Target Pair | |
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