Found 32 hits with Last Name = 'atangcho' and Initial = 'l' 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
(Mus musculus) | BDBM104963
(CHEMBL507361 | US11147816, PD0325901 | US11701360,...)Show SMILES OC[C@@H](O)CONC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F |r| Show InChI InChI=1S/C16H14F3IN2O4/c17-11-3-2-10(16(25)22-26-7-9(24)6-23)15(14(11)19)21-13-4-1-8(20)5-12(13)18/h1-5,9,21,23-24H,6-7H2,(H,22,25)/t9-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
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CHEMBL DrugBank MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 0.330 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description Inhibition of MEK1 in mouse colon 26 cells assessed as reduction in ERK1/2 phosphorylation after 1 hr by Western blot analysis |
ACS Med Chem Lett 8: 808-813 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00111 BindingDB Entry DOI: 10.7270/Q29W0J00 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50204093
(BAY 80-6946 | BAY-80-6946 | Copanlisib)Show SMILES COc1c(OCCCN2CCOCC2)ccc2C3=NCCN3C(NC(=O)c3cnc(N)nc3)=Nc12 |c:35,t:18| Show InChI InChI=1S/C23H28N8O4/c1-33-19-17(35-10-2-6-30-8-11-34-12-9-30)4-3-16-18(19)28-23(31-7-5-25-20(16)31)29-21(32)15-13-26-22(24)27-14-15/h3-4,13-14H,2,5-12H2,1H3,(H2,24,26,27)(H,28,29,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | <0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description Inhibition of PI3K alpha (unknown origin) |
ACS Med Chem Lett 8: 808-813 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00111 BindingDB Entry DOI: 10.7270/Q29W0J00 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50434806
(2-(4-(2-(1-isopropyl-3-methyl-1H-1,2,4-triazol-5-y...)Show SMILES CC(C)n1nc(C)nc1-c1cn2CCOc3cc(ccc3-c2n1)-c1cnn(c1)C(C)(C)C(N)=O Show InChI InChI=1S/C24H28N8O2/c1-14(2)32-22(27-15(3)29-32)19-13-30-8-9-34-20-10-16(6-7-18(20)21(30)28-19)17-11-26-31(12-17)24(4,5)23(25)33/h6-7,10-14H,8-9H2,1-5H3,(H2,25,33) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | <0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description Inhibition of PI3K alpha (unknown origin) |
ACS Med Chem Lett 8: 808-813 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00111 BindingDB Entry DOI: 10.7270/Q29W0J00 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50204093
(BAY 80-6946 | BAY-80-6946 | Copanlisib)Show SMILES COc1c(OCCCN2CCOCC2)ccc2C3=NCCN3C(NC(=O)c3cnc(N)nc3)=Nc12 |c:35,t:18| Show InChI InChI=1S/C23H28N8O4/c1-33-19-17(35-10-2-6-30-8-11-34-12-9-30)4-3-16-18(19)28-23(31-7-5-25-20(16)31)29-21(32)15-13-26-22(24)27-14-15/h3-4,13-14H,2,5-12H2,1H3,(H2,24,26,27)(H,28,29,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | <0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description Inhibition of PI3K delta (unknown origin) |
ACS Med Chem Lett 8: 808-813 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00111 BindingDB Entry DOI: 10.7270/Q29W0J00 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50434806
(2-(4-(2-(1-isopropyl-3-methyl-1H-1,2,4-triazol-5-y...)Show SMILES CC(C)n1nc(C)nc1-c1cn2CCOc3cc(ccc3-c2n1)-c1cnn(c1)C(C)(C)C(N)=O Show InChI InChI=1S/C24H28N8O2/c1-14(2)32-22(27-15(3)29-32)19-13-30-8-9-34-20-10-16(6-7-18(20)21(30)28-19)17-11-26-31(12-17)24(4,5)23(25)33/h6-7,10-14H,8-9H2,1-5H3,(H2,25,33) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | <0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description Inhibition of PI3K delta (unknown origin) |
ACS Med Chem Lett 8: 808-813 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00111 BindingDB Entry DOI: 10.7270/Q29W0J00 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50271206
(CHEMBL4127267)Show SMILES NOCCOCCOCCOCCC(=O)N1CCN(CC1)c1nc(nc(n1)-n1c(nc2ccccc12)C(F)F)N1CCOCC1 Show InChI InChI=1S/C28H39F2N9O6/c29-24(30)25-32-21-3-1-2-4-22(21)39(25)28-34-26(33-27(35-28)38-10-13-42-14-11-38)37-8-6-36(7-9-37)23(40)5-12-41-15-16-43-17-18-44-19-20-45-31/h1-4,24H,5-20,31H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full length His-tagged PI3K p110delta/p85alpha expressed in baculovirus expression system coexpressing PIK3R1 by TR-F... |
ACS Med Chem Lett 8: 808-813 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00111 BindingDB Entry DOI: 10.7270/Q29W0J00 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50271203
(CHEMBL4125884)Show SMILES CC(=O)N1CCN(CC1)c1nc(nc(n1)-n1c(nc2ccccc12)C(F)F)N1CCOCC1 Show InChI InChI=1S/C21H24F2N8O2/c1-14(32)28-6-8-29(9-7-28)19-25-20(30-10-12-33-13-11-30)27-21(26-19)31-16-5-3-2-4-15(16)24-18(31)17(22)23/h2-5,17H,6-13H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full length His-tagged PI3K p110delta/p85alpha expressed in baculovirus expression system coexpressing PIK3R1 by TR-F... |
ACS Med Chem Lett 8: 808-813 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00111 BindingDB Entry DOI: 10.7270/Q29W0J00 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50315213
(2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-t...)Show SMILES FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C19H21F2N7O2/c20-15(21)16-22-13-3-1-2-4-14(13)28(16)19-24-17(26-5-9-29-10-6-26)23-18(25-19)27-7-11-30-12-8-27/h1-4,15H,5-12H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full length His-tagged PI3K p110delta/p85alpha expressed in baculovirus expression system coexpressing PIK3R1 by TR-F... |
ACS Med Chem Lett 8: 808-813 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00111 BindingDB Entry DOI: 10.7270/Q29W0J00 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50315213
(2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-t...)Show SMILES FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C19H21F2N7O2/c20-15(21)16-22-13-3-1-2-4-14(13)28(16)19-24-17(26-5-9-29-10-6-26)23-18(25-19)27-7-11-30-12-8-27/h1-4,15H,5-12H2 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full length His-tagged PI3K p110alpha/p85alpha expressed in baculovirus expression system coexpressing PIK3R1 by TR-F... |
ACS Med Chem Lett 8: 808-813 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00111 BindingDB Entry DOI: 10.7270/Q29W0J00 |
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)) | BDBM50271203
(CHEMBL4125884)Show SMILES CC(=O)N1CCN(CC1)c1nc(nc(n1)-n1c(nc2ccccc12)C(F)F)N1CCOCC1 Show InChI InChI=1S/C21H24F2N8O2/c1-14(32)28-6-8-29(9-7-28)19-25-20(30-10-12-33-13-11-30)27-21(26-19)31-16-5-3-2-4-15(16)24-18(31)17(22)23/h2-5,17H,6-13H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 8.20 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full length His-tagged PI3K p110alpha/p85alpha expressed in baculovirus expression system coexpressing PIK3R1 by TR-F... |
ACS Med Chem Lett 8: 808-813 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00111 BindingDB Entry DOI: 10.7270/Q29W0J00 |
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)) | BDBM50271206
(CHEMBL4127267)Show SMILES NOCCOCCOCCOCCC(=O)N1CCN(CC1)c1nc(nc(n1)-n1c(nc2ccccc12)C(F)F)N1CCOCC1 Show InChI InChI=1S/C28H39F2N9O6/c29-24(30)25-32-21-3-1-2-4-22(21)39(25)28-34-26(33-27(35-28)38-10-13-42-14-11-38)37-8-6-36(7-9-37)23(40)5-12-41-15-16-43-17-18-44-19-20-45-31/h1-4,24H,5-20,31H2 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full length His-tagged PI3K p110alpha/p85alpha expressed in baculovirus expression system coexpressing PIK3R1 by TR-F... |
ACS Med Chem Lett 8: 808-813 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00111 BindingDB Entry DOI: 10.7270/Q29W0J00 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50271203
(CHEMBL4125884)Show SMILES CC(=O)N1CCN(CC1)c1nc(nc(n1)-n1c(nc2ccccc12)C(F)F)N1CCOCC1 Show InChI InChI=1S/C21H24F2N8O2/c1-14(32)28-6-8-29(9-7-28)19-25-20(30-10-12-33-13-11-30)27-21(26-19)31-16-5-3-2-4-15(16)24-18(31)17(22)23/h2-5,17H,6-13H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description Inhibition of PI3Kbeta (unknown origin) by TR-FRET assay |
ACS Med Chem Lett 8: 808-813 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00111 BindingDB Entry DOI: 10.7270/Q29W0J00 |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM104963
(CHEMBL507361 | US11147816, PD0325901 | US11701360,...)Show SMILES OC[C@@H](O)CONC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F |r| Show InChI InChI=1S/C16H14F3IN2O4/c17-11-3-2-10(16(25)22-26-7-9(24)6-23)15(14(11)19)21-13-4-1-8(20)5-12(13)18/h1-5,9,21,23-24H,6-7H2,(H,22,25)/t9-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description Inhibition of recombinant human GST-tagged MEK1 expressed in baculovirus infected Sf9 insect cells using inactive ERK2 as substrate preincubated for ... |
ACS Med Chem Lett 8: 808-813 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00111 BindingDB Entry DOI: 10.7270/Q29W0J00 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50315213
(2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-t...)Show SMILES FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C19H21F2N7O2/c20-15(21)16-22-13-3-1-2-4-14(13)28(16)19-24-17(26-5-9-29-10-6-26)23-18(25-19)27-7-11-30-12-8-27/h1-4,15H,5-12H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description Inhibition of PI3Kbeta (unknown origin) by TR-FRET assay |
ACS Med Chem Lett 8: 808-813 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00111 BindingDB Entry DOI: 10.7270/Q29W0J00 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50271203
(CHEMBL4125884)Show SMILES CC(=O)N1CCN(CC1)c1nc(nc(n1)-n1c(nc2ccccc12)C(F)F)N1CCOCC1 Show InChI InChI=1S/C21H24F2N8O2/c1-14(32)28-6-8-29(9-7-28)19-25-20(30-10-12-33-13-11-30)27-21(26-19)31-16-5-3-2-4-15(16)24-18(31)17(22)23/h2-5,17H,6-13H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full length His-tagged PI3K p110gamma expressed in baculovirus expression system by TR-FRET assay |
ACS Med Chem Lett 8: 808-813 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00111 BindingDB Entry DOI: 10.7270/Q29W0J00 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50315213
(2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-t...)Show SMILES FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C19H21F2N7O2/c20-15(21)16-22-13-3-1-2-4-14(13)28(16)19-24-17(26-5-9-29-10-6-26)23-18(25-19)27-7-11-30-12-8-27/h1-4,15H,5-12H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full length His-tagged PI3K p110gamma expressed in baculovirus expression system by TR-FRET assay |
ACS Med Chem Lett 8: 808-813 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00111 BindingDB Entry DOI: 10.7270/Q29W0J00 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50271205
(CHEMBL4127114)Show SMILES FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCN(CC1)C(=O)CCOCCOCCOCCONC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F)N1CCOCC1 Show InChI InChI=1S/C41H44F5IN10O7/c42-28-7-6-27(35(34(28)44)48-30-8-5-26(47)25-29(30)43)38(59)53-64-24-23-63-22-21-62-20-19-60-16-9-33(58)54-10-12-55(13-11-54)39-50-40(56-14-17-61-18-15-56)52-41(51-39)57-32-4-2-1-3-31(32)49-37(57)36(45)46/h1-8,25,36,48H,9-24H2,(H,53,59) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full length His-tagged PI3K p110delta/p85alpha expressed in baculovirus expression system coexpressing PIK3R1 by TR-F... |
ACS Med Chem Lett 8: 808-813 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00111 BindingDB Entry DOI: 10.7270/Q29W0J00 |
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)) | BDBM50271205
(CHEMBL4127114)Show SMILES FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCN(CC1)C(=O)CCOCCOCCOCCONC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F)N1CCOCC1 Show InChI InChI=1S/C41H44F5IN10O7/c42-28-7-6-27(35(34(28)44)48-30-8-5-26(47)25-29(30)43)38(59)53-64-24-23-63-22-21-62-20-19-60-16-9-33(58)54-10-12-55(13-11-54)39-50-40(56-14-17-61-18-15-56)52-41(51-39)57-32-4-2-1-3-31(32)49-37(57)36(45)46/h1-8,25,36,48H,9-24H2,(H,53,59) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 69 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full length His-tagged PI3K p110alpha/p85alpha expressed in baculovirus expression system coexpressing PIK3R1 by TR-F... |
ACS Med Chem Lett 8: 808-813 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00111 BindingDB Entry DOI: 10.7270/Q29W0J00 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50271206
(CHEMBL4127267)Show SMILES NOCCOCCOCCOCCC(=O)N1CCN(CC1)c1nc(nc(n1)-n1c(nc2ccccc12)C(F)F)N1CCOCC1 Show InChI InChI=1S/C28H39F2N9O6/c29-24(30)25-32-21-3-1-2-4-22(21)39(25)28-34-26(33-27(35-28)38-10-13-42-14-11-38)37-8-6-36(7-9-37)23(40)5-12-41-15-16-43-17-18-44-19-20-45-31/h1-4,24H,5-20,31H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full length His-tagged PI3K p110gamma expressed in baculovirus expression system by TR-FRET assay |
ACS Med Chem Lett 8: 808-813 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00111 BindingDB Entry DOI: 10.7270/Q29W0J00 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50271204
(CHEMBL3400288)Show SMILES FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCOCC1)N1CCNCC1 Show InChI InChI=1S/C19H22F2N8O/c20-15(21)16-23-13-3-1-2-4-14(13)29(16)19-25-17(27-7-5-22-6-8-27)24-18(26-19)28-9-11-30-12-10-28/h1-4,15,22H,5-12H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 142 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full length His-tagged PI3K p110delta/p85alpha expressed in baculovirus expression system coexpressing PIK3R1 by TR-F... |
ACS Med Chem Lett 8: 808-813 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00111 BindingDB Entry DOI: 10.7270/Q29W0J00 |
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)) | BDBM50271204
(CHEMBL3400288)Show SMILES FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCOCC1)N1CCNCC1 Show InChI InChI=1S/C19H22F2N8O/c20-15(21)16-23-13-3-1-2-4-14(13)29(16)19-25-17(27-7-5-22-6-8-27)24-18(26-19)28-9-11-30-12-10-28/h1-4,15,22H,5-12H2 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full length His-tagged PI3K p110alpha/p85alpha expressed in baculovirus expression system coexpressing PIK3R1 by TR-F... |
ACS Med Chem Lett 8: 808-813 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00111 BindingDB Entry DOI: 10.7270/Q29W0J00 |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50271205
(CHEMBL4127114)Show SMILES FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCN(CC1)C(=O)CCOCCOCCOCCONC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F)N1CCOCC1 Show InChI InChI=1S/C41H44F5IN10O7/c42-28-7-6-27(35(34(28)44)48-30-8-5-26(47)25-29(30)43)38(59)53-64-24-23-63-22-21-62-20-19-60-16-9-33(58)54-10-12-55(13-11-54)39-50-40(56-14-17-61-18-15-56)52-41(51-39)57-32-4-2-1-3-31(32)49-37(57)36(45)46/h1-8,25,36,48H,9-24H2,(H,53,59) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 182 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description Inhibition of recombinant human GST-tagged MEK1 expressed in baculovirus infected Sf9 insect cells using inactive ERK2 as substrate preincubated for ... |
ACS Med Chem Lett 8: 808-813 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00111 BindingDB Entry DOI: 10.7270/Q29W0J00 |
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)) | BDBM50180834
(CHEMBL3819302)Show SMILES FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCN(CCOCCOCCOCCONC(=O)c2ccc(F)c(F)c2Nc2ccc(I)cc2F)CC1)N1CCOCC1 Show InChI InChI=1S/C40H44F5IN10O6/c41-28-7-6-27(34(33(28)43)47-30-8-5-26(46)25-29(30)42)37(57)52-62-24-23-61-22-21-60-20-19-59-16-13-53-9-11-54(12-10-53)38-49-39(55-14-17-58-18-15-55)51-40(50-38)56-32-4-2-1-3-31(32)48-36(56)35(44)45/h1-8,25,35,47H,9-24H2,(H,52,57) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 191 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full length His-tagged PI3K p110alpha/p85alpha expressed in baculovirus expression system coexpressing PIK3R1 by TR-F... |
ACS Med Chem Lett 8: 808-813 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00111 BindingDB Entry DOI: 10.7270/Q29W0J00 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50271206
(CHEMBL4127267)Show SMILES NOCCOCCOCCOCCC(=O)N1CCN(CC1)c1nc(nc(n1)-n1c(nc2ccccc12)C(F)F)N1CCOCC1 Show InChI InChI=1S/C28H39F2N9O6/c29-24(30)25-32-21-3-1-2-4-22(21)39(25)28-34-26(33-27(35-28)38-10-13-42-14-11-38)37-8-6-36(7-9-37)23(40)5-12-41-15-16-43-17-18-44-19-20-45-31/h1-4,24H,5-20,31H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 214 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description Inhibition of PI3Kbeta (unknown origin) by TR-FRET assay |
ACS Med Chem Lett 8: 808-813 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00111 BindingDB Entry DOI: 10.7270/Q29W0J00 |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50180834
(CHEMBL3819302)Show SMILES FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCN(CCOCCOCCOCCONC(=O)c2ccc(F)c(F)c2Nc2ccc(I)cc2F)CC1)N1CCOCC1 Show InChI InChI=1S/C40H44F5IN10O6/c41-28-7-6-27(34(33(28)43)47-30-8-5-26(46)25-29(30)42)37(57)52-62-24-23-61-22-21-60-20-19-59-16-13-53-9-11-54(12-10-53)38-49-39(55-14-17-58-18-15-55)51-40(50-38)56-32-4-2-1-3-31(32)48-36(56)35(44)45/h1-8,25,35,47H,9-24H2,(H,52,57) | 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 | 398 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description Inhibition of recombinant human GST-tagged MEK1 expressed in baculovirus infected Sf9 insect cells using inactive ERK2 as substrate preincubated for ... |
ACS Med Chem Lett 8: 808-813 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00111 BindingDB Entry DOI: 10.7270/Q29W0J00 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50180834
(CHEMBL3819302)Show SMILES FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCN(CCOCCOCCOCCONC(=O)c2ccc(F)c(F)c2Nc2ccc(I)cc2F)CC1)N1CCOCC1 Show InChI InChI=1S/C40H44F5IN10O6/c41-28-7-6-27(34(33(28)43)47-30-8-5-26(46)25-29(30)42)37(57)52-62-24-23-61-22-21-60-20-19-59-16-13-53-9-11-54(12-10-53)38-49-39(55-14-17-58-18-15-55)51-40(50-38)56-32-4-2-1-3-31(32)48-36(56)35(44)45/h1-8,25,35,47H,9-24H2,(H,52,57) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 942 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full length His-tagged PI3K p110delta/p85alpha expressed in baculovirus expression system coexpressing PIK3R1 by TR-F... |
ACS Med Chem Lett 8: 808-813 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00111 BindingDB Entry DOI: 10.7270/Q29W0J00 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50271204
(CHEMBL3400288)Show SMILES FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCOCC1)N1CCNCC1 Show InChI InChI=1S/C19H22F2N8O/c20-15(21)16-23-13-3-1-2-4-14(13)29(16)19-25-17(27-7-5-22-6-8-27)24-18(26-19)28-9-11-30-12-10-28/h1-4,15,22H,5-12H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.09E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description Inhibition of PI3Kbeta (unknown origin) by TR-FRET assay |
ACS Med Chem Lett 8: 808-813 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00111 BindingDB Entry DOI: 10.7270/Q29W0J00 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50271205
(CHEMBL4127114)Show SMILES FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCN(CC1)C(=O)CCOCCOCCOCCONC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F)N1CCOCC1 Show InChI InChI=1S/C41H44F5IN10O7/c42-28-7-6-27(35(34(28)44)48-30-8-5-26(47)25-29(30)43)38(59)53-64-24-23-63-22-21-62-20-19-60-16-9-33(58)54-10-12-55(13-11-54)39-50-40(56-14-17-61-18-15-56)52-41(51-39)57-32-4-2-1-3-31(32)49-37(57)36(45)46/h1-8,25,36,48H,9-24H2,(H,53,59) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.48E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description Inhibition of PI3Kbeta (unknown origin) by TR-FRET assay |
ACS Med Chem Lett 8: 808-813 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00111 BindingDB Entry DOI: 10.7270/Q29W0J00 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50271204
(CHEMBL3400288)Show SMILES FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCOCC1)N1CCNCC1 Show InChI InChI=1S/C19H22F2N8O/c20-15(21)16-23-13-3-1-2-4-14(13)29(16)19-25-17(27-7-5-22-6-8-27)24-18(26-19)28-9-11-30-12-10-28/h1-4,15,22H,5-12H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.87E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full length His-tagged PI3K p110gamma expressed in baculovirus expression system by TR-FRET assay |
ACS Med Chem Lett 8: 808-813 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00111 BindingDB Entry DOI: 10.7270/Q29W0J00 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50271205
(CHEMBL4127114)Show SMILES FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCN(CC1)C(=O)CCOCCOCCOCCONC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F)N1CCOCC1 Show InChI InChI=1S/C41H44F5IN10O7/c42-28-7-6-27(35(34(28)44)48-30-8-5-26(47)25-29(30)43)38(59)53-64-24-23-63-22-21-62-20-19-60-16-9-33(58)54-10-12-55(13-11-54)39-50-40(56-14-17-61-18-15-56)52-41(51-39)57-32-4-2-1-3-31(32)49-37(57)36(45)46/h1-8,25,36,48H,9-24H2,(H,53,59) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.29E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full length His-tagged PI3K p110gamma expressed in baculovirus expression system by TR-FRET assay |
ACS Med Chem Lett 8: 808-813 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00111 BindingDB Entry DOI: 10.7270/Q29W0J00 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50180834
(CHEMBL3819302)Show SMILES FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCN(CCOCCOCCOCCONC(=O)c2ccc(F)c(F)c2Nc2ccc(I)cc2F)CC1)N1CCOCC1 Show InChI InChI=1S/C40H44F5IN10O6/c41-28-7-6-27(34(33(28)43)47-30-8-5-26(46)25-29(30)42)37(57)52-62-24-23-61-22-21-60-20-19-59-16-13-53-9-11-54(12-10-53)38-49-39(55-14-17-58-18-15-55)51-40(50-38)56-32-4-2-1-3-31(32)48-36(56)35(44)45/h1-8,25,35,47H,9-24H2,(H,52,57) | 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 | 4.07E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description Inhibition of PI3Kbeta (unknown origin) by TR-FRET assay |
ACS Med Chem Lett 8: 808-813 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00111 BindingDB Entry DOI: 10.7270/Q29W0J00 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50180834
(CHEMBL3819302)Show SMILES FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCN(CCOCCOCCOCCONC(=O)c2ccc(F)c(F)c2Nc2ccc(I)cc2F)CC1)N1CCOCC1 Show InChI InChI=1S/C40H44F5IN10O6/c41-28-7-6-27(34(33(28)43)47-30-8-5-26(46)25-29(30)42)37(57)52-62-24-23-61-22-21-60-20-19-59-16-13-53-9-11-54(12-10-53)38-49-39(55-14-17-58-18-15-55)51-40(50-38)56-32-4-2-1-3-31(32)48-36(56)35(44)45/h1-8,25,35,47H,9-24H2,(H,52,57) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full length His-tagged PI3K p110gamma expressed in baculovirus expression system by TR-FRET assay |
ACS Med Chem Lett 8: 808-813 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00111 BindingDB Entry DOI: 10.7270/Q29W0J00 |
More data for this Ligand-Target Pair | |