Found 307 hits with Last Name = 'lougheed' and Initial = 'j' 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)) | 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 | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of MEK1-mediated ERK2 T202/Y204 phosphorylation using biotinylated MBP as substrate preincubated for 30 mins measured after 100 mins by cR... |
ACS Med Chem Lett 3: 416-421 (2012)
Article DOI: 10.1021/ml300049d BindingDB Entry DOI: 10.7270/Q2GT5P80 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50391802
((3,4-difluoro-2-(2-fluoro-4-iodophenylamino)phenyl...)Show SMILES OC1(CN(C1)C(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F)[C@@H]1CCCCN1 |r| Show InChI InChI=1S/C21H21F3IN3O2/c22-14-6-5-13(19(18(14)24)27-16-7-4-12(25)9-15(16)23)20(29)28-10-21(30,11-28)17-3-1-2-8-26-17/h4-7,9,17,26-27,30H,1-3,8,10-11H2/t17-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of MEK1-mediated ERK2 T202/Y204 phosphorylation using biotinylated MBP as substrate preincubated for 30 mins measured after 100 mins by cR... |
ACS Med Chem Lett 3: 416-421 (2012)
Article DOI: 10.1021/ml300049d BindingDB Entry DOI: 10.7270/Q2GT5P80 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50391804
(CHEMBL2146893)Show SMILES CC(C)NCC1(O)CN(C1)C(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F Show InChI InChI=1S/C20H21F3IN3O2/c1-11(2)25-8-20(29)9-27(10-20)19(28)13-4-5-14(21)17(23)18(13)26-16-6-3-12(24)7-15(16)22/h3-7,11,25-26,29H,8-10H2,1-2H3 | 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 | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of MEK1-mediated ERK2 T202/Y204 phosphorylation using biotinylated MBP as substrate preincubated for 30 mins measured after 100 mins by cR... |
ACS Med Chem Lett 3: 416-421 (2012)
Article DOI: 10.1021/ml300049d BindingDB Entry DOI: 10.7270/Q2GT5P80 |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50391805
(CHEMBL2146894)Show SMILES CC(C)(C)NCC1(O)CN(C1)C(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F Show InChI InChI=1S/C21H23F3IN3O2/c1-20(2,3)26-9-21(30)10-28(11-21)19(29)13-5-6-14(22)17(24)18(13)27-16-7-4-12(25)8-15(16)23/h4-8,26-27,30H,9-11H2,1-3H3 | 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 | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of MEK1-mediated ERK2 T202/Y204 phosphorylation using biotinylated MBP as substrate preincubated for 30 mins measured after 100 mins by cR... |
ACS Med Chem Lett 3: 416-421 (2012)
Article DOI: 10.1021/ml300049d BindingDB Entry DOI: 10.7270/Q2GT5P80 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50393357
(CHEMBL2152148)Show SMILES CNC(=O)c1nc(cnc1N)-c1ccc(Cl)c(c1)S(=O)(=O)Nc1ccc(F)cc1Cl Show InChI InChI=1S/C18H14Cl2FN5O3S/c1-23-18(27)16-17(22)24-8-14(25-16)9-2-4-11(19)15(6-9)30(28,29)26-13-5-3-10(21)7-12(13)20/h2-8,26H,1H3,(H2,22,24)(H,23,27) | 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 | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Exelixis
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kgamma expressed in sf9 cells assessed as amount of ATP consumed by luciferase-luciferin chemiluminescence assay |
J Med Chem 55: 5467-82 (2012)
Article DOI: 10.1021/jm300403a BindingDB Entry DOI: 10.7270/Q2DF6S9N |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50391811
(CHEMBL2146895)Show SMILES CN(C)CC1(O)CN(C1)C(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F Show InChI InChI=1S/C19H19F3IN3O2/c1-25(2)8-19(28)9-26(10-19)18(27)12-4-5-13(20)16(22)17(12)24-15-6-3-11(23)7-14(15)21/h3-7,24,28H,8-10H2,1-2H3 | 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 | 5.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of MEK1-mediated ERK2 T202/Y204 phosphorylation using biotinylated MBP as substrate preincubated for 30 mins measured after 100 mins by cR... |
ACS Med Chem Lett 3: 416-421 (2012)
Article DOI: 10.1021/ml300049d BindingDB Entry DOI: 10.7270/Q2GT5P80 |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50391800
(CHEMBL2146898)Show SMILES C[C@H](N)C1(O)CN(C1)C(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F |r| Show InChI InChI=1S/C18H17F3IN3O2/c1-9(23)18(27)7-25(8-18)17(26)11-3-4-12(19)15(21)16(11)24-14-5-2-10(22)6-13(14)20/h2-6,9,24,27H,7-8,23H2,1H3/t9-/m0/s1 | 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 | 5.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of MEK1-mediated ERK2 T202/Y204 phosphorylation using biotinylated MBP as substrate preincubated for 30 mins measured after 100 mins by cR... |
ACS Med Chem Lett 3: 416-421 (2012)
Article DOI: 10.1021/ml300049d BindingDB Entry DOI: 10.7270/Q2GT5P80 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50393365
(CHEMBL2152257)Show SMILES Nc1ncc(-c2ccc(Cl)c(c2)S(=O)(=O)Nc2cccc(F)c2F)c(OCC(F)(F)F)n1 Show InChI InChI=1S/C18H12ClF5N4O3S/c19-11-5-4-9(10-7-26-17(25)27-16(10)31-8-18(22,23)24)6-14(11)32(29,30)28-13-3-1-2-12(20)15(13)21/h1-7,28H,8H2,(H2,25,26,27) | 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 | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Exelixis
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kgamma expressed in sf9 cells assessed as amount of ATP consumed by luciferase-luciferin chemiluminescence assay |
J Med Chem 55: 5467-82 (2012)
Article DOI: 10.1021/jm300403a BindingDB Entry DOI: 10.7270/Q2DF6S9N |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50391803
(CHEMBL2146888)Show SMILES NCC1(O)CN(C1)C(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F Show InChI InChI=1S/C17H15F3IN3O2/c18-11-3-2-10(16(25)24-7-17(26,6-22)8-24)15(14(11)20)23-13-4-1-9(21)5-12(13)19/h1-5,23,26H,6-8,22H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 6.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of MEK1-mediated ERK2 T202/Y204 phosphorylation using biotinylated MBP as substrate preincubated for 30 mins measured after 100 mins by cR... |
ACS Med Chem Lett 3: 416-421 (2012)
Article DOI: 10.1021/ml300049d BindingDB Entry DOI: 10.7270/Q2GT5P80 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50391801
(CHEMBL2146892)Show SMILES CCNCC1(O)CN(C1)C(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F Show InChI InChI=1S/C19H19F3IN3O2/c1-2-24-8-19(28)9-26(10-19)18(27)12-4-5-13(20)16(22)17(12)25-15-6-3-11(23)7-14(15)21/h3-7,24-25,28H,2,8-10H2,1H3 | 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 | 7.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of MEK1-mediated ERK2 T202/Y204 phosphorylation using biotinylated MBP as substrate preincubated for 30 mins measured after 100 mins by cR... |
ACS Med Chem Lett 3: 416-421 (2012)
Article DOI: 10.1021/ml300049d BindingDB Entry DOI: 10.7270/Q2GT5P80 |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50391808
(CHEMBL2146896)Show SMILES OC1(CN2CCCC2)CN(C1)C(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F Show InChI InChI=1S/C21H21F3IN3O2/c22-15-5-4-14(19(18(15)24)26-17-6-3-13(25)9-16(17)23)20(29)28-11-21(30,12-28)10-27-7-1-2-8-27/h3-6,9,26,30H,1-2,7-8,10-12H2 | 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 | 7.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of MEK1-mediated ERK2 T202/Y204 phosphorylation using biotinylated MBP as substrate preincubated for 30 mins measured after 100 mins by cR... |
ACS Med Chem Lett 3: 416-421 (2012)
Article DOI: 10.1021/ml300049d BindingDB Entry DOI: 10.7270/Q2GT5P80 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50393359
(CHEMBL2152150)Show SMILES CNC(=O)c1nc(cnc1N)-c1ccc(Cl)c(c1)S(=O)(=O)Nc1ccc(Cl)cc1Cl Show InChI InChI=1S/C18H14Cl3N5O3S/c1-23-18(27)16-17(22)24-8-14(25-16)9-2-4-11(20)15(6-9)30(28,29)26-13-5-3-10(19)7-12(13)21/h2-8,26H,1H3,(H2,22,24)(H,23,27) | 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 | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Exelixis
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kgamma expressed in sf9 cells assessed as amount of ATP consumed by luciferase-luciferin chemiluminescence assay |
J Med Chem 55: 5467-82 (2012)
Article DOI: 10.1021/jm300403a BindingDB Entry DOI: 10.7270/Q2DF6S9N |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50393333
(CHEMBL2151050)Show SMILES COc1ccc(cc1)-c1nccnc1N1CCN(CC1)S(=O)(=O)c1cccc(c1)-c1cnc(N)nc1 Show InChI InChI=1S/C25H25N7O3S/c1-35-21-7-5-18(6-8-21)23-24(28-10-9-27-23)31-11-13-32(14-12-31)36(33,34)22-4-2-3-19(15-22)20-16-29-25(26)30-17-20/h2-10,15-17H,11-14H2,1H3,(H2,26,29,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Exelixis
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kgamma expressed in sf9 cells assessed as amount of ATP consumed by luciferase-luciferin chemiluminescence assay |
J Med Chem 55: 5467-82 (2012)
Article DOI: 10.1021/jm300403a BindingDB Entry DOI: 10.7270/Q2DF6S9N |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50393348
(CHEMBL2152139)Show SMILES CNC(=O)c1nc(cnc1N)-c1ccc(Cl)c(NS(=O)(=O)c2cccc(Cl)c2)c1 Show InChI InChI=1S/C18H15Cl2N5O3S/c1-22-18(26)16-17(21)23-9-15(24-16)10-5-6-13(20)14(7-10)25-29(27,28)12-4-2-3-11(19)8-12/h2-9,25H,1H3,(H2,21,23)(H,22,26) | 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 | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Exelixis
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kgamma expressed in sf9 cells assessed as amount of ATP consumed by luciferase-luciferin chemiluminescence assay |
J Med Chem 55: 5467-82 (2012)
Article DOI: 10.1021/jm300403a BindingDB Entry DOI: 10.7270/Q2DF6S9N |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50391806
(CHEMBL2146899)Show SMILES C[C@@H](N)C1(O)CN(C1)C(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F |r| Show InChI InChI=1S/C18H17F3IN3O2/c1-9(23)18(27)7-25(8-18)17(26)11-3-4-12(19)15(21)16(11)24-14-5-2-10(22)6-13(14)20/h2-6,9,24,27H,7-8,23H2,1H3/t9-/m1/s1 | 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 | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of MEK1-mediated ERK2 T202/Y204 phosphorylation using biotinylated MBP as substrate preincubated for 30 mins measured after 100 mins by cR... |
ACS Med Chem Lett 3: 416-421 (2012)
Article DOI: 10.1021/ml300049d BindingDB Entry DOI: 10.7270/Q2GT5P80 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50393339
(CHEMBL2152131)Show SMILES CNC(=O)c1nc(cnc1N)-c1ccc(Cl)c(c1)S(=O)(=O)NC Show InChI InChI=1S/C13H14ClN5O3S/c1-16-13(20)11-12(15)18-6-9(19-11)7-3-4-8(14)10(5-7)23(21,22)17-2/h3-6,17H,1-2H3,(H2,15,18)(H,16,20) | 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 | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Exelixis
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kgamma expressed in sf9 cells assessed as amount of ATP consumed by luciferase-luciferin chemiluminescence assay |
J Med Chem 55: 5467-82 (2012)
Article DOI: 10.1021/jm300403a BindingDB Entry DOI: 10.7270/Q2DF6S9N |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50393360
(CHEMBL2152250)Show SMILES CNC(=O)c1nc(cnc1N)-c1ccc(Cl)c(c1)S(=O)(=O)Nc1cccc(Cl)c1Cl Show InChI InChI=1S/C18H14Cl3N5O3S/c1-23-18(27)16-17(22)24-8-13(25-16)9-5-6-10(19)14(7-9)30(28,29)26-12-4-2-3-11(20)15(12)21/h2-8,26H,1H3,(H2,22,24)(H,23,27) | 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 | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Exelixis
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kgamma expressed in sf9 cells assessed as amount of ATP consumed by luciferase-luciferin chemiluminescence assay |
J Med Chem 55: 5467-82 (2012)
Article DOI: 10.1021/jm300403a BindingDB Entry DOI: 10.7270/Q2DF6S9N |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50393334
(CHEMBL2152126)Show SMILES CC(C)c1ccc(cc1)-c1nccnc1N1CCN(CC1)S(=O)(=O)c1cccc(c1)-c1cnc(N)nc1 Show InChI InChI=1S/C27H29N7O2S/c1-19(2)20-6-8-21(9-7-20)25-26(30-11-10-29-25)33-12-14-34(15-13-33)37(35,36)24-5-3-4-22(16-24)23-17-31-27(28)32-18-23/h3-11,16-19H,12-15H2,1-2H3,(H2,28,31,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Exelixis
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kgamma expressed in sf9 cells assessed as amount of ATP consumed by luciferase-luciferin chemiluminescence assay |
J Med Chem 55: 5467-82 (2012)
Article DOI: 10.1021/jm300403a BindingDB Entry DOI: 10.7270/Q2DF6S9N |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50393335
(CHEMBL2152127)Show SMILES CC(C)c1ccc(cc1)-c1ncccc1N1CCN(CC1)S(=O)(=O)c1cccc(c1)-c1cnc(N)nc1 Show InChI InChI=1S/C28H30N6O2S/c1-20(2)21-8-10-22(11-9-21)27-26(7-4-12-30-27)33-13-15-34(16-14-33)37(35,36)25-6-3-5-23(17-25)24-18-31-28(29)32-19-24/h3-12,17-20H,13-16H2,1-2H3,(H2,29,31,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Exelixis
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kgamma expressed in sf9 cells assessed as amount of ATP consumed by luciferase-luciferin chemiluminescence assay |
J Med Chem 55: 5467-82 (2012)
Article DOI: 10.1021/jm300403a BindingDB Entry DOI: 10.7270/Q2DF6S9N |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50393353
(CHEMBL2152144)Show SMILES CNC(=O)c1nc(cnc1N)-c1ccc(Cl)c(c1)S(=O)(=O)Nc1cccc(Cl)c1 Show InChI InChI=1S/C18H15Cl2N5O3S/c1-22-18(26)16-17(21)23-9-14(24-16)10-5-6-13(20)15(7-10)29(27,28)25-12-4-2-3-11(19)8-12/h2-9,25H,1H3,(H2,21,23)(H,22,26) | 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 | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Exelixis
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kgamma expressed in sf9 cells assessed as amount of ATP consumed by luciferase-luciferin chemiluminescence assay |
J Med Chem 55: 5467-82 (2012)
Article DOI: 10.1021/jm300403a BindingDB Entry DOI: 10.7270/Q2DF6S9N |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50393342
(CHEMBL2152252)Show SMILES CNC(=O)c1nc(cnc1N)-c1ccc(Cl)c(c1)S(=O)(=O)Nc1cccc(F)c1F Show InChI InChI=1S/C18H14ClF2N5O3S/c1-23-18(27)16-17(22)24-8-13(25-16)9-5-6-10(19)14(7-9)30(28,29)26-12-4-2-3-11(20)15(12)21/h2-8,26H,1H3,(H2,22,24)(H,23,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Exelixis
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kgamma expressed in sf9 cells assessed as amount of ATP consumed by luciferase-luciferin chemiluminescence assay |
J Med Chem 55: 5467-82 (2012)
Article DOI: 10.1021/jm300403a BindingDB Entry DOI: 10.7270/Q2DF6S9N |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50391812
(CHEMBL2146885)Show InChI InChI=1S/C13H7F3INO2/c14-8-3-2-7(13(19)20)12(11(8)16)18-10-4-1-6(17)5-9(10)15/h1-5,18H,(H,19,20) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 19.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of MEK1-mediated ERK2 T202/Y204 phosphorylation using biotinylated MBP as substrate preincubated for 30 mins measured after 100 mins by cR... |
ACS Med Chem Lett 3: 416-421 (2012)
Article DOI: 10.1021/ml300049d BindingDB Entry DOI: 10.7270/Q2GT5P80 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50393354
(CHEMBL2152145)Show SMILES CNC(=O)c1nc(cnc1N)-c1ccc(Cl)c(c1)S(=O)(=O)Nc1ccccc1Cl Show InChI InChI=1S/C18H15Cl2N5O3S/c1-22-18(26)16-17(21)23-9-14(24-16)10-6-7-12(20)15(8-10)29(27,28)25-13-5-3-2-4-11(13)19/h2-9,25H,1H3,(H2,21,23)(H,22,26) | 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 | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Exelixis
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kgamma expressed in sf9 cells assessed as amount of ATP consumed by luciferase-luciferin chemiluminescence assay |
J Med Chem 55: 5467-82 (2012)
Article DOI: 10.1021/jm300403a BindingDB Entry DOI: 10.7270/Q2DF6S9N |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50393364
(CHEMBL2152256)Show SMILES COc1nc(N)ncc1-c1ccc(Cl)c(c1)S(=O)(=O)Nc1cccc(F)c1F Show InChI InChI=1S/C17H13ClF2N4O3S/c1-27-16-10(8-22-17(21)23-16)9-5-6-11(18)14(7-9)28(25,26)24-13-4-2-3-12(19)15(13)20/h2-8,24H,1H3,(H2,21,22,23) | 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 | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Exelixis
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kgamma expressed in sf9 cells assessed as amount of ATP consumed by luciferase-luciferin chemiluminescence assay |
J Med Chem 55: 5467-82 (2012)
Article DOI: 10.1021/jm300403a BindingDB Entry DOI: 10.7270/Q2DF6S9N |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50486035
(CHEMBL2204498)Show SMILES CC(C)Nc1cc(C(=O)NC2CC3CCC(C2)N3c2ccc(cn2)C(=O)C2CC2)c(C)cc1C(N)=O |TLB:18:17:13.14:11.10.16,9:10:13.14:17| Show InChI InChI=1S/C28H35N5O3/c1-15(2)31-24-13-22(16(3)10-23(24)27(29)35)28(36)32-19-11-20-7-8-21(12-19)33(20)25-9-6-18(14-30-25)26(34)17-4-5-17/h6,9-10,13-15,17,19-21,31H,4-5,7-8,11-12H2,1-3H3,(H2,29,35)(H,32,36) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Exelixis Inc
Curated by ChEMBL
| Assay Description Displacement of biotinylated geldanamycin from human His-tagged Hsp90 by TR-FRET assay |
Bioorg Med Chem Lett 22: 5396-404 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.052 BindingDB Entry DOI: 10.7270/Q25M68KK |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50486034
(CHEMBL2204501)Show SMILES CC[C@H](C)Nc1cc(C(=O)NC2CC3CCC(C2)N3c2ccc(cn2)C(=O)C2CC2)c(C)cc1C(N)=O |r,TLB:19:18:14.15:12.11.17,10:11:14.15:18| Show InChI InChI=1S/C29H37N5O3/c1-4-17(3)32-25-14-23(16(2)11-24(25)28(30)36)29(37)33-20-12-21-8-9-22(13-20)34(21)26-10-7-19(15-31-26)27(35)18-5-6-18/h7,10-11,14-15,17-18,20-22,32H,4-6,8-9,12-13H2,1-3H3,(H2,30,36)(H,33,37)/t17-,20?,21?,22?/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Exelixis Inc
Curated by ChEMBL
| Assay Description Displacement of biotinylated geldanamycin from human His-tagged Hsp90 by TR-FRET assay |
Bioorg Med Chem Lett 22: 5396-404 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.052 BindingDB Entry DOI: 10.7270/Q25M68KK |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50393358
(CHEMBL2152149)Show SMILES CNC(=O)c1nc(cnc1N)-c1ccc(Cl)c(c1)S(=O)(=O)Nc1cccc(F)c1Cl Show InChI InChI=1S/C18H14Cl2FN5O3S/c1-23-18(27)16-17(22)24-8-13(25-16)9-5-6-10(19)14(7-9)30(28,29)26-12-4-2-3-11(21)15(12)20/h2-8,26H,1H3,(H2,22,24)(H,23,27) | 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 |
Exelixis
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kgamma expressed in sf9 cells assessed as amount of ATP consumed by luciferase-luciferin chemiluminescence assay |
J Med Chem 55: 5467-82 (2012)
Article DOI: 10.1021/jm300403a BindingDB Entry DOI: 10.7270/Q2DF6S9N |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50393332
(CHEMBL2152125)Show InChI InChI=1S/C13H12N8O/c1-15-13(22)10-11(14)16-6-9(17-10)7-3-2-4-8(5-7)12-18-20-21-19-12/h2-6H,1H3,(H2,14,16)(H,15,22)(H,18,19,20,21) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Exelixis
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kgamma expressed in sf9 cells assessed as amount of ATP consumed by luciferase-luciferin chemiluminescence assay |
J Med Chem 55: 5467-82 (2012)
Article DOI: 10.1021/jm300403a BindingDB Entry DOI: 10.7270/Q2DF6S9N |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50486033
(CHEMBL2204502)Show SMILES CC[C@@H](C)Nc1cc(C(=O)NC2CC3CCC(C2)N3c2ccc(cn2)C(=O)C2CC2)c(C)cc1C(N)=O |r,TLB:19:18:14.15:12.11.17,10:11:14.15:18| Show InChI InChI=1S/C29H37N5O3/c1-4-17(3)32-25-14-23(16(2)11-24(25)28(30)36)29(37)33-20-12-21-8-9-22(13-20)34(21)26-10-7-19(15-31-26)27(35)18-5-6-18/h7,10-11,14-15,17-18,20-22,32H,4-6,8-9,12-13H2,1-3H3,(H2,30,36)(H,33,37)/t17-,20?,21?,22?/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Exelixis Inc
Curated by ChEMBL
| Assay Description Displacement of biotinylated geldanamycin from human His-tagged Hsp90 by TR-FRET assay |
Bioorg Med Chem Lett 22: 5396-404 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.052 BindingDB Entry DOI: 10.7270/Q25M68KK |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50486032
(CHEMBL2204497)Show SMILES CCCNc1cc(C(=O)NC2CC3CCC(C2)N3c2ccc(cn2)C(=O)C2CC2)c(C)cc1C(N)=O |TLB:18:17:13.14:11.10.16,9:10:13.14:17| Show InChI InChI=1S/C28H35N5O3/c1-3-10-30-24-14-22(16(2)11-23(24)27(29)35)28(36)32-19-12-20-7-8-21(13-19)33(20)25-9-6-18(15-31-25)26(34)17-4-5-17/h6,9,11,14-15,17,19-21,30H,3-5,7-8,10,12-13H2,1-2H3,(H2,29,35)(H,32,36) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Exelixis Inc
Curated by ChEMBL
| Assay Description Displacement of biotinylated geldanamycin from human His-tagged Hsp90 by TR-FRET assay |
Bioorg Med Chem Lett 22: 5396-404 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.052 BindingDB Entry DOI: 10.7270/Q25M68KK |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50486041
(CHEMBL2204500)Show SMILES Cc1cc(C(N)=O)c(NCC2CC2)cc1C(=O)NC1CC2CCC(C1)N2c1ccc(cn1)C(=O)C1CC1 |TLB:26:25:21.22:19.18.24,17:18:21.22:25| Show InChI InChI=1S/C29H35N5O3/c1-16-10-24(28(30)36)25(31-14-17-2-3-17)13-23(16)29(37)33-20-11-21-7-8-22(12-20)34(21)26-9-6-19(15-32-26)27(35)18-4-5-18/h6,9-10,13,15,17-18,20-22,31H,2-5,7-8,11-12,14H2,1H3,(H2,30,36)(H,33,37) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia 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 |
Exelixis Inc
Curated by ChEMBL
| Assay Description Displacement of biotinylated geldanamycin from human His-tagged Hsp90 by TR-FRET assay |
Bioorg Med Chem Lett 22: 5396-404 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.052 BindingDB Entry DOI: 10.7270/Q25M68KK |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50486036
(CHEMBL2204496)Show SMILES CCC(CC)Nc1cc(C(=O)NC2CC3CCC(C2)N3c2ccc(cn2)C(=O)C2CC2)c(C)cc1C(N)=O |TLB:20:19:15.16:13.12.18,11:12:15.16:19| Show InChI InChI=1S/C30H39N5O3/c1-4-20(5-2)33-26-15-24(17(3)12-25(26)29(31)37)30(38)34-21-13-22-9-10-23(14-21)35(22)27-11-8-19(16-32-27)28(36)18-6-7-18/h8,11-12,15-16,18,20-23,33H,4-7,9-10,13-14H2,1-3H3,(H2,31,37)(H,34,38) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia 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 |
Exelixis Inc
Curated by ChEMBL
| Assay Description Displacement of biotinylated geldanamycin from human His-tagged Hsp90 by TR-FRET assay |
Bioorg Med Chem Lett 22: 5396-404 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.052 BindingDB Entry DOI: 10.7270/Q25M68KK |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50393355
(CHEMBL2152146)Show SMILES CNC(=O)c1nc(cnc1N)-c1ccc(Cl)c(c1)S(=O)(=O)Nc1ccc(Cl)cc1 Show InChI InChI=1S/C18H15Cl2N5O3S/c1-22-18(26)16-17(21)23-9-14(24-16)10-2-7-13(20)15(8-10)29(27,28)25-12-5-3-11(19)4-6-12/h2-9,25H,1H3,(H2,21,23)(H,22,26) | 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 |
Exelixis
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kgamma expressed in sf9 cells assessed as amount of ATP consumed by luciferase-luciferin chemiluminescence assay |
J Med Chem 55: 5467-82 (2012)
Article DOI: 10.1021/jm300403a BindingDB Entry DOI: 10.7270/Q2DF6S9N |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50393340
(CHEMBL2152132)Show SMILES CNC(=O)c1nc(cnc1N)-c1ccc(Cl)c(c1)S(N)(=O)=O Show InChI InChI=1S/C12H12ClN5O3S/c1-16-12(19)10-11(14)17-5-8(18-10)6-2-3-7(13)9(4-6)22(15,20)21/h2-5H,1H3,(H2,14,17)(H,16,19)(H2,15,20,21) | 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 |
Exelixis
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kgamma expressed in sf9 cells assessed as amount of ATP consumed by luciferase-luciferin chemiluminescence assay |
J Med Chem 55: 5467-82 (2012)
Article DOI: 10.1021/jm300403a BindingDB Entry DOI: 10.7270/Q2DF6S9N |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50391797
(CHEMBL2146890)Show SMILES OCC1(O)CN(C1)C(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F Show InChI InChI=1S/C17H14F3IN2O3/c18-11-3-2-10(16(25)23-6-17(26,7-23)8-24)15(14(11)20)22-13-4-1-9(21)5-12(13)19/h1-5,22,24,26H,6-8H2 | 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 | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of MEK1-mediated ERK2 T202/Y204 phosphorylation using biotinylated MBP as substrate preincubated for 30 mins measured after 100 mins by cR... |
ACS Med Chem Lett 3: 416-421 (2012)
Article DOI: 10.1021/ml300049d BindingDB Entry DOI: 10.7270/Q2GT5P80 |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50486042
(CHEMBL2204499)Show SMILES Cc1cc(C(N)=O)c(NC2CCCC2)cc1C(=O)NC1CC2CCC(C1)N2c1ccc(cn1)C(=O)C1CC1 |TLB:27:26:22.23:20.19.25,18:19:22.23:26| Show InChI InChI=1S/C30H37N5O3/c1-17-12-25(29(31)37)26(33-20-4-2-3-5-20)15-24(17)30(38)34-21-13-22-9-10-23(14-21)35(22)27-11-8-19(16-32-27)28(36)18-6-7-18/h8,11-12,15-16,18,20-23,33H,2-7,9-10,13-14H2,1H3,(H2,31,37)(H,34,38) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Exelixis Inc
Curated by ChEMBL
| Assay Description Displacement of biotinylated geldanamycin from human His-tagged Hsp90 by TR-FRET assay |
Bioorg Med Chem Lett 22: 5396-404 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.052 BindingDB Entry DOI: 10.7270/Q25M68KK |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50486043
(CHEMBL2204504)Show SMILES CCC(CC)Nc1cc(C(=O)NC2CC3CCC(C2)N3c2ccc(cn2)C(C)=O)c(C)cc1C(N)=O |TLB:20:19:15.16:13.12.18,11:12:15.16:19| Show InChI InChI=1S/C28H37N5O3/c1-5-19(6-2)31-25-14-23(16(3)11-24(25)27(29)35)28(36)32-20-12-21-8-9-22(13-20)33(21)26-10-7-18(15-30-26)17(4)34/h7,10-11,14-15,19-22,31H,5-6,8-9,12-13H2,1-4H3,(H2,29,35)(H,32,36) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Exelixis Inc
Curated by ChEMBL
| Assay Description Displacement of biotinylated geldanamycin from human His-tagged Hsp90 by TR-FRET assay |
Bioorg Med Chem Lett 22: 5396-404 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.052 BindingDB Entry DOI: 10.7270/Q25M68KK |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50393351
(CHEMBL2152142)Show SMILES CNC(=O)c1nc(cnc1N)-c1ccc(Cl)c(c1)S(=O)(=O)Nc1cccc(OC)c1 Show InChI InChI=1S/C19H18ClN5O4S/c1-22-19(26)17-18(21)23-10-15(24-17)11-6-7-14(20)16(8-11)30(27,28)25-12-4-3-5-13(9-12)29-2/h3-10,25H,1-2H3,(H2,21,23)(H,22,26) | 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 | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Exelixis
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kgamma expressed in sf9 cells assessed as amount of ATP consumed by luciferase-luciferin chemiluminescence assay |
J Med Chem 55: 5467-82 (2012)
Article DOI: 10.1021/jm300403a BindingDB Entry DOI: 10.7270/Q2DF6S9N |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50393329
(CHEMBL2152253)Show SMILES CNC(=O)c1nc(cnc1N)-c1ccc(Cl)c(c1)S(=O)(=O)Nc1cccc(F)c1C Show InChI InChI=1S/C19H17ClFN5O3S/c1-10-13(21)4-3-5-14(10)26-30(28,29)16-8-11(6-7-12(16)20)15-9-24-18(22)17(25-15)19(27)23-2/h3-9,26H,1-2H3,(H2,22,24)(H,23,27) | 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 | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Exelixis
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kgamma expressed in sf9 cells assessed as amount of ATP consumed by luciferase-luciferin chemiluminescence assay |
J Med Chem 55: 5467-82 (2012)
Article DOI: 10.1021/jm300403a BindingDB Entry DOI: 10.7270/Q2DF6S9N |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50393333
(CHEMBL2151050)Show SMILES COc1ccc(cc1)-c1nccnc1N1CCN(CC1)S(=O)(=O)c1cccc(c1)-c1cnc(N)nc1 Show InChI InChI=1S/C25H25N7O3S/c1-35-21-7-5-18(6-8-21)23-24(28-10-9-27-23)31-11-13-32(14-12-31)36(33,34)22-4-2-3-19(15-22)20-16-29-25(26)30-17-20/h2-10,15-17H,11-14H2,1H3,(H2,26,29,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Exelixis
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kalpha expressed in sf9 cells coexpressing p85alpha assessed as amount of ATP consumed by luciferase-luciferin chemiluminescen... |
J Med Chem 55: 5467-82 (2012)
Article DOI: 10.1021/jm300403a BindingDB Entry DOI: 10.7270/Q2DF6S9N |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50486037
(CHEMBL2204503)Show SMILES CCC(CC)Nc1cc(ccc1C(N)=O)C(=O)NC1CC2CCC(C1)N2c1ccc(cn1)C(C)=O |TLB:26:25:21.22:19.18.24,17:18:21.22:25| Show InChI InChI=1S/C27H35N5O3/c1-4-19(5-2)30-24-12-17(6-10-23(24)26(28)34)27(35)31-20-13-21-8-9-22(14-20)32(21)25-11-7-18(15-29-25)16(3)33/h6-7,10-12,15,19-22,30H,4-5,8-9,13-14H2,1-3H3,(H2,28,34)(H,31,35) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia 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 |
Exelixis Inc
Curated by ChEMBL
| Assay Description Displacement of biotinylated geldanamycin from human His-tagged Hsp90 by TR-FRET assay |
Bioorg Med Chem Lett 22: 5396-404 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.052 BindingDB Entry DOI: 10.7270/Q25M68KK |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50393338
(CHEMBL2152130)Show SMILES CNC(=O)c1nc(cnc1N)-c1ccc(Cl)c(c1)S(=O)(=O)Nc1ccccc1 Show InChI InChI=1S/C18H16ClN5O3S/c1-21-18(25)16-17(20)22-10-14(23-16)11-7-8-13(19)15(9-11)28(26,27)24-12-5-3-2-4-6-12/h2-10,24H,1H3,(H2,20,22)(H,21,25) | 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 | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
Exelixis
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kgamma expressed in sf9 cells assessed as amount of ATP consumed by luciferase-luciferin chemiluminescence assay |
J Med Chem 55: 5467-82 (2012)
Article DOI: 10.1021/jm300403a BindingDB Entry DOI: 10.7270/Q2DF6S9N |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50393365
(CHEMBL2152257)Show SMILES Nc1ncc(-c2ccc(Cl)c(c2)S(=O)(=O)Nc2cccc(F)c2F)c(OCC(F)(F)F)n1 Show InChI InChI=1S/C18H12ClF5N4O3S/c19-11-5-4-9(10-7-26-17(25)27-16(10)31-8-18(22,23)24)6-14(11)32(29,30)28-13-3-1-2-12(20)15(13)21/h1-7,28H,8H2,(H2,25,26,27) | 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 | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
Exelixis
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kbeta expressed in sf9 cells coexpressing p85alpha assessed as amount of ATP consumed by luciferase-luciferin chemiluminescenc... |
J Med Chem 55: 5467-82 (2012)
Article DOI: 10.1021/jm300403a BindingDB Entry DOI: 10.7270/Q2DF6S9N |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50486038
(CHEMBL2204525)Show SMILES CC(=O)c1ccc(nc1)N1C2CCC1CC(C2)NC(=O)c1ccc(C(N)=O)c(NCC2CC2)c1 |TLB:6:9:11.12:16.15.14,THB:17:15:11.12:9| Show InChI InChI=1S/C26H31N5O3/c1-15(32)18-5-9-24(29-14-18)31-20-6-7-21(31)12-19(11-20)30-26(34)17-4-8-22(25(27)33)23(10-17)28-13-16-2-3-16/h4-5,8-10,14,16,19-21,28H,2-3,6-7,11-13H2,1H3,(H2,27,33)(H,30,34) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia 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 |
Exelixis Inc
Curated by ChEMBL
| Assay Description Displacement of biotinylated geldanamycin from human His-tagged Hsp90 by TR-FRET assay |
Bioorg Med Chem Lett 22: 5396-404 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.052 BindingDB Entry DOI: 10.7270/Q25M68KK |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50393365
(CHEMBL2152257)Show SMILES Nc1ncc(-c2ccc(Cl)c(c2)S(=O)(=O)Nc2cccc(F)c2F)c(OCC(F)(F)F)n1 Show InChI InChI=1S/C18H12ClF5N4O3S/c19-11-5-4-9(10-7-26-17(25)27-16(10)31-8-18(22,23)24)6-14(11)32(29,30)28-13-3-1-2-12(20)15(13)21/h1-7,28H,8H2,(H2,25,26,27) | 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 | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Exelixis
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kdelta expressed in sf9 cells coexpressing p85alpha assessed as amount of ATP consumed by luciferase-luciferin chemiluminescen... |
J Med Chem 55: 5467-82 (2012)
Article DOI: 10.1021/jm300403a BindingDB Entry DOI: 10.7270/Q2DF6S9N |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50486045
(CHEMBL2204520)Show SMILES C[C@H](NC(=O)c1ccc(nc1)N1C2CCC1CC(C2)NC(=O)c1ccc(C(N)=O)c(NCC2CC2)c1)c1ccc(cc1)N1CCN(C)CC1 |r,TLB:8:11:13.14:18.17.16,THB:19:17:13.14:11| Show InChI InChI=1S/C38H48N8O3/c1-24(26-5-9-30(10-6-26)45-17-15-44(2)16-18-45)42-38(49)28-8-14-35(41-23-28)46-31-11-12-32(46)21-29(20-31)43-37(48)27-7-13-33(36(39)47)34(19-27)40-22-25-3-4-25/h5-10,13-14,19,23-25,29,31-32,40H,3-4,11-12,15-18,20-22H2,1-2H3,(H2,39,47)(H,42,49)(H,43,48)/t24-,29?,31?,32?/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia 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 |
Exelixis Inc
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 in human A549 cells assessed as Raf1 degradation after 24 hrs by Western blot analysis |
Bioorg Med Chem Lett 22: 5396-404 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.052 BindingDB Entry DOI: 10.7270/Q25M68KK |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM25028
(4-[2-(1H-indazol-4-yl)-6-[(4-methanesulfonylpipera...)Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1 Show InChI InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Exelixis
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kgamma expressed in sf9 cells assessed as amount of ATP consumed by luciferase-luciferin chemiluminescence assay |
J Med Chem 55: 5467-82 (2012)
Article DOI: 10.1021/jm300403a BindingDB Entry DOI: 10.7270/Q2DF6S9N |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50393356
(CHEMBL2152147)Show SMILES CNC(=O)c1nc(cnc1N)-c1cccc(c1)S(=O)(=O)Nc1cccc(Cl)c1 Show InChI InChI=1S/C18H16ClN5O3S/c1-21-18(25)16-17(20)22-10-15(23-16)11-4-2-7-14(8-11)28(26,27)24-13-6-3-5-12(19)9-13/h2-10,24H,1H3,(H2,20,22)(H,21,25) | 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 | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Exelixis
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kgamma expressed in sf9 cells assessed as amount of ATP consumed by luciferase-luciferin chemiluminescence assay |
J Med Chem 55: 5467-82 (2012)
Article DOI: 10.1021/jm300403a BindingDB Entry DOI: 10.7270/Q2DF6S9N |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50393350
(CHEMBL2152141)Show SMILES CNC(=O)c1nc(cnc1N)-c1ccc(Cl)c(c1)S(=O)(=O)Nc1cccc(F)c1 Show InChI InChI=1S/C18H15ClFN5O3S/c1-22-18(26)16-17(21)23-9-14(24-16)10-5-6-13(19)15(7-10)29(27,28)25-12-4-2-3-11(20)8-12/h2-9,25H,1H3,(H2,21,23)(H,22,26) | 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 | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Exelixis
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kgamma expressed in sf9 cells assessed as amount of ATP consumed by luciferase-luciferin chemiluminescence assay |
J Med Chem 55: 5467-82 (2012)
Article DOI: 10.1021/jm300403a BindingDB Entry DOI: 10.7270/Q2DF6S9N |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50486043
(CHEMBL2204504)Show SMILES CCC(CC)Nc1cc(C(=O)NC2CC3CCC(C2)N3c2ccc(cn2)C(C)=O)c(C)cc1C(N)=O |TLB:20:19:15.16:13.12.18,11:12:15.16:19| Show InChI InChI=1S/C28H37N5O3/c1-5-19(6-2)31-25-14-23(16(3)11-24(25)27(29)35)28(36)32-20-12-21-8-9-22(13-20)33(21)26-10-7-18(15-30-26)17(4)34/h7,10-11,14-15,19-22,31H,5-6,8-9,12-13H2,1-4H3,(H2,29,35)(H,32,36) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia 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 |
Exelixis Inc
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 in human NCI-N87 cells assessed as Her2 degradation after 24 hrs by Western blot analysis |
Bioorg Med Chem Lett 22: 5396-404 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.052 BindingDB Entry DOI: 10.7270/Q25M68KK |
More data for this Ligand-Target Pair | |