Found 1361 hits with Last Name = 'carter' and Initial = 'd' 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 |
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2
(Homo sapiens (Human)) | BDBM50048831
(CHEMBL50763 | [3-(5-Cyclopropyl-[1,2,4]oxadiazol-3...)Show SMILES Fc1cccc-2c1N(Cc1c(ncn-21)-c1noc(n1)C1CC1)C(=O)N1CCOCC1 Show InChI InChI=1S/C20H19FN6O3/c21-13-2-1-3-14-17(13)26(20(28)25-6-8-29-9-7-25)10-15-16(22-11-27(14)15)18-23-19(30-24-18)12-4-5-12/h1-3,11-12H,4-10H2 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]Flunitrazepam from GABA-A receptor alpha-1-beta-2-gamma-2 subunits expressed in Sf9 cells |
J Med Chem 39: 158-75 (1996)
Article DOI: 10.1021/jm940765f BindingDB Entry DOI: 10.7270/Q2PZ57WX |
More data for this Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2
(Homo sapiens (Human)) | BDBM50048825
(CHEMBL48403 | [7-Chloro-3-(5-cyclopropyl-[1,2,4]ox...)Show SMILES Clc1ccc-2c(c1)N(Cc1c(ncn-21)-c1noc(n1)C1CC1)C(=O)N1CCOCC1 Show InChI InChI=1S/C20H19ClN6O3/c21-13-3-4-14-15(9-13)26(20(28)25-5-7-29-8-6-25)10-16-17(22-11-27(14)16)18-23-19(30-24-18)12-1-2-12/h3-4,9,11-12H,1-2,5-8,10H2 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]flunitrazepam from GABA-A receptor alpha-1-beta-2-gamma-2 subunits expressed in Sf9 cells |
J Med Chem 39: 158-75 (1996)
Article DOI: 10.1021/jm940765f BindingDB Entry DOI: 10.7270/Q2PZ57WX |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50414600
(CHEMBL570317)Show InChI InChI=1S/C21H22N4/c22-14-16-2-1-3-17(12-16)15-25(19-7-9-23-10-8-19)20-4-5-21-18(13-20)6-11-24-21/h1-6,11-13,19,23-24H,7-10,15H2 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.251 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description Inhibition of SERT |
Bioorg Med Chem Lett 19: 4630-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.06.076 BindingDB Entry DOI: 10.7270/Q2WH2R7V |
More data for this Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2
(Homo sapiens (Human)) | BDBM50040729
(CHEMBL49888 | [3-(5-Cyclopropyl-[1,2,4]oxadiazol-3...)Show SMILES O=C(N1Cc2c(ncn2-c2ccccc12)-c1noc(n1)C1CC1)c1ccccc1 Show InChI InChI=1S/C22H17N5O2/c28-22(15-6-2-1-3-7-15)26-12-18-19(20-24-21(29-25-20)14-10-11-14)23-13-27(18)17-9-5-4-8-16(17)26/h1-9,13-14H,10-12H2 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]Flunitrazepam from GABA-A receptor alpha-1-beta-2-gamma-2 subunits expressed in Sf9 cells |
J Med Chem 39: 158-75 (1996)
Article DOI: 10.1021/jm940765f BindingDB Entry DOI: 10.7270/Q2PZ57WX |
More data for this Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2
(Homo sapiens (Human)) | BDBM50048828
(CHEMBL290036 | [3-(5-Cyclopropyl-[1,2,4]oxadiazol-...)Show SMILES Fc1ccc-2c(c1)N(Cc1c(ncn-21)-c1noc(n1)C1CC1)C(=O)N1CCOCC1 Show InChI InChI=1S/C20H19FN6O3/c21-13-3-4-14-15(9-13)26(20(28)25-5-7-29-8-6-25)10-16-17(22-11-27(14)16)18-23-19(30-24-18)12-1-2-12/h3-4,9,11-12H,1-2,5-8,10H2 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]Flunitrazepam from GABA-A receptor alpha-1-beta-2-gamma-2 subunits expressed in Sf9 cells |
J Med Chem 39: 158-75 (1996)
Article DOI: 10.1021/jm940765f BindingDB Entry DOI: 10.7270/Q2PZ57WX |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50274953
(5-(3-benzylpyrrolidin-3-yl)-1H-indole-2-carbonitri...)Show InChI InChI=1S/C20H19N3/c21-13-18-11-16-10-17(6-7-19(16)23-18)20(8-9-22-14-20)12-15-4-2-1-3-5-15/h1-7,10-11,22-23H,8-9,12,14H2 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description Inhibition of SERT (unknown origin) |
Bioorg Med Chem Lett 18: 6062-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.025 BindingDB Entry DOI: 10.7270/Q29886TF |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50401261
(CHEMBL2206921 | US8772480, 384)Show SMILES CN(C)S(=O)(=O)Nc1cc(Nc2ncc(Cl)cc2-c2nc(C)nc(N)n2)cnc1Cl Show InChI InChI=1S/C16H17Cl2N9O2S/c1-8-22-15(25-16(19)23-8)11-4-9(17)6-21-14(11)24-10-5-12(13(18)20-7-10)26-30(28,29)27(2)3/h4-7,26H,1-3H3,(H,21,24)(H2,19,22,23,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of human N-terminal polyHis-tagged PI3K p110delta expressed in baculovirus infected Hi5 cells using Phosphatidylinositol-4,5-bisphosphate ... |
Bioorg Med Chem Lett 22: 5714-20 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.078 BindingDB Entry DOI: 10.7270/Q2MG7QNW |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM84745
(CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...)Show InChI InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MCE PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| 0.501 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description Inhibition of SERT |
Bioorg Med Chem Lett 19: 4630-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.06.076 BindingDB Entry DOI: 10.7270/Q2WH2R7V |
More data for this Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-3/beta-2/gamma-2
(Homo sapiens (Human)) | BDBM50048831
(CHEMBL50763 | [3-(5-Cyclopropyl-[1,2,4]oxadiazol-3...)Show SMILES Fc1cccc-2c1N(Cc1c(ncn-21)-c1noc(n1)C1CC1)C(=O)N1CCOCC1 Show InChI InChI=1S/C20H19FN6O3/c21-13-2-1-3-14-17(13)26(20(28)25-6-8-29-9-7-25)10-15-16(22-11-27(14)15)18-23-19(30-24-18)12-4-5-12/h1-3,11-12H,4-10H2 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.510 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]flunitrazepam from GABA-A receptor alpha-3-beta-2-gamma-2 subunits expressed in Sf9 cells |
J Med Chem 39: 158-75 (1996)
Article DOI: 10.1021/jm940765f BindingDB Entry DOI: 10.7270/Q2PZ57WX |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50401261
(CHEMBL2206921 | US8772480, 384)Show SMILES CN(C)S(=O)(=O)Nc1cc(Nc2ncc(Cl)cc2-c2nc(C)nc(N)n2)cnc1Cl Show InChI InChI=1S/C16H17Cl2N9O2S/c1-8-22-15(25-16(19)23-8)11-4-9(17)6-21-14(11)24-10-5-12(13(18)20-7-10)26-30(28,29)27(2)3/h4-7,26H,1-3H3,(H,21,24)(H2,19,22,23,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of human N-terminal polyHis-tagged PI3K p110beta expressed in baculovirus infected Hi5 cells using Phosphatidylinositol-4,5-bisphosphate a... |
Bioorg Med Chem Lett 22: 5714-20 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.078 BindingDB Entry DOI: 10.7270/Q2MG7QNW |
More data for this Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-3/beta-2/gamma-2
(Homo sapiens (Human)) | BDBM50048828
(CHEMBL290036 | [3-(5-Cyclopropyl-[1,2,4]oxadiazol-...)Show SMILES Fc1ccc-2c(c1)N(Cc1c(ncn-21)-c1noc(n1)C1CC1)C(=O)N1CCOCC1 Show InChI InChI=1S/C20H19FN6O3/c21-13-3-4-14-15(9-13)26(20(28)25-5-7-29-8-6-25)10-16-17(22-11-27(14)16)18-23-19(30-24-18)12-1-2-12/h3-4,9,11-12H,1-2,5-8,10H2 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]flunitrazepam from GABA-A receptor alpha-3-beta-2-gamma-2 subunits expressed in Sf9 cells |
J Med Chem 39: 158-75 (1996)
Article DOI: 10.1021/jm940765f BindingDB Entry DOI: 10.7270/Q2PZ57WX |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50414593
(CHEMBL560535)Show InChI InChI=1S/C20H23N3/c1-2-4-16(5-3-1)15-23(18-9-11-21-12-10-18)19-6-7-20-17(14-19)8-13-22-20/h1-8,13-14,18,21-22H,9-12,15H2 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description Inhibition of SERT |
Bioorg Med Chem Lett 19: 4630-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.06.076 BindingDB Entry DOI: 10.7270/Q2WH2R7V |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50275439
(5-(3-benzylpyrrolidin-3-yl)-1H-indazole | CHEMBL52...)Show InChI InChI=1S/C18H19N3/c1-2-4-14(5-3-1)11-18(8-9-19-13-18)16-6-7-17-15(10-16)12-20-21-17/h1-7,10,12,19H,8-9,11,13H2,(H,20,21) | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description Inhibition of SERT (unknown origin) |
Bioorg Med Chem Lett 18: 6062-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.025 BindingDB Entry DOI: 10.7270/Q29886TF |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50274951
(5-(3-benzylpyrrolidin-3-yl)-1-methyl-1H-indole | C...)Show InChI InChI=1S/C20H22N2/c1-22-12-9-17-13-18(7-8-19(17)22)20(10-11-21-15-20)14-16-5-3-2-4-6-16/h2-9,12-13,21H,10-11,14-15H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description Inhibition of NET (unknown origin) |
Bioorg Med Chem Lett 18: 6062-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.025 BindingDB Entry DOI: 10.7270/Q29886TF |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50343205
(CHEMBL1773606 | N-(6-(6-Chloro-5-(2-(trifluorometh...)Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NS(=O)(=O)c2ccccc2C(F)(F)F)c1 Show InChI InChI=1S/C21H14ClF3N4O3S2/c1-11(30)27-20-28-15-7-6-12(9-17(15)33-20)13-8-16(19(22)26-10-13)29-34(31,32)18-5-3-2-4-14(18)21(23,24)25/h2-10,29H,1H3,(H,27,28,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kalpha expressed in Sf9 cells |
J Med Chem 54: 1789-811 (2011)
Article DOI: 10.1021/jm1014605 BindingDB Entry DOI: 10.7270/Q2TH8N1K |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50401261
(CHEMBL2206921 | US8772480, 384)Show SMILES CN(C)S(=O)(=O)Nc1cc(Nc2ncc(Cl)cc2-c2nc(C)nc(N)n2)cnc1Cl Show InChI InChI=1S/C16H17Cl2N9O2S/c1-8-22-15(25-16(19)23-8)11-4-9(17)6-21-14(11)24-10-5-12(13(18)20-7-10)26-30(28,29)27(2)3/h4-7,26H,1-3H3,(H,21,24)(H2,19,22,23,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of human N-terminal polyHis-tagged PI3K p110gamma expressed in baculovirus infected Hi5 cells using Phosphatidylinositol-4,5-bisphosphate ... |
Bioorg Med Chem Lett 22: 5714-20 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.078 BindingDB Entry DOI: 10.7270/Q2MG7QNW |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50394838
(CHEMBL2165007 | US8772480, 141)Show SMILES COc1ccc(Nc2ncc(Cc3ccc(cc3)S(C)(=O)=O)cc2-c2nc(C)nc(N)n2)cn1 Show InChI InChI=1S/C23H23N7O3S/c1-14-27-22(30-23(24)28-14)19-11-16(10-15-4-7-18(8-5-15)34(3,31)32)12-26-21(19)29-17-6-9-20(33-2)25-13-17/h4-9,11-13H,10H2,1-3H3,(H,26,29)(H2,24,27,28,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of human N-terminal poly-His tagged-PI3Kdelta expressed in Sf9 baculovirus system co-expressing p85alpha after 20 mins by AlphaScreen assa... |
J Med Chem 55: 5188-219 (2012)
Article DOI: 10.1021/jm300184s BindingDB Entry DOI: 10.7270/Q23F4QSJ |
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)) | BDBM50396809
(CHEMBL2170099 | US8772480, 147)Show SMILES COc1ncc(Nc2ncc(cc2-c2nc(C)nc(N)n2)[C@H](C)N2CCN(CC2)S(C)(=O)=O)cc1F |r| Show InChI InChI=1S/C22H28FN9O3S/c1-13(31-5-7-32(8-6-31)36(4,33)34)15-9-17(20-27-14(2)28-22(24)30-20)19(25-11-15)29-16-10-18(23)21(35-3)26-12-16/h9-13H,5-8H2,1-4H3,(H,25,29)(H2,24,27,28,30)/t13-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of human N-terminal polyHis-tagged PI3K p110delta/p85alpha expressed in baculovirus infected Sf9 cells using phosphatidylinositol-4,5-bisp... |
J Med Chem 55: 7796-816 (2012)
Article DOI: 10.1021/jm300846z BindingDB Entry DOI: 10.7270/Q2028SPT |
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)) | BDBM50396807
(CHEMBL2170082 | US8772480, 316)Show SMILES COc1ncc(Nc2ncc(CN3CCN(C[C@H]3C)S(C)(=O)=O)cc2-c2nc(C)nc(N)n2)cc1F |r| Show InChI InChI=1S/C22H28FN9O3S/c1-13-11-32(36(4,33)34)6-5-31(13)12-15-7-17(20-27-14(2)28-22(24)30-20)19(25-9-15)29-16-8-18(23)21(35-3)26-10-16/h7-10,13H,5-6,11-12H2,1-4H3,(H,25,29)(H2,24,27,28,30)/t13-/m1/s1 | 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
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of human N-terminal polyHis-tagged PI3K p110delta/p85alpha expressed in baculovirus infected Sf9 cells using phosphatidylinositol-4,5-bisp... |
J Med Chem 55: 7796-816 (2012)
Article DOI: 10.1021/jm300846z BindingDB Entry DOI: 10.7270/Q2028SPT |
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)) | BDBM50396806
(CHEMBL2170083 | US8772480, 270)Show SMILES COc1ncc(Nc2ncc(CN3CCN(C[C@@H]3C)S(C)(=O)=O)cc2-c2nc(C)nc(N)n2)cc1F |r| Show InChI InChI=1S/C22H28FN9O3S/c1-13-11-32(36(4,33)34)6-5-31(13)12-15-7-17(20-27-14(2)28-22(24)30-20)19(25-9-15)29-16-8-18(23)21(35-3)26-10-16/h7-10,13H,5-6,11-12H2,1-4H3,(H,25,29)(H2,24,27,28,30)/t13-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
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| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of human N-terminal polyHis-tagged PI3K p110delta/p85alpha expressed in baculovirus infected Sf9 cells using phosphatidylinositol-4,5-bisp... |
J Med Chem 55: 7796-816 (2012)
Article DOI: 10.1021/jm300846z BindingDB Entry DOI: 10.7270/Q2028SPT |
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)) | BDBM50396820
(CHEMBL2170088 | US8772480, 272)Show SMILES COc1ncc(Nc2ncc(cc2-c2nc(C)nc(N)n2)[C@@H](C)N2CCN(C[C@@H]2C)S(C)(=O)=O)cc1F |r| Show InChI InChI=1S/C23H30FN9O3S/c1-13-12-32(37(5,34)35)6-7-33(13)14(2)16-8-18(21-28-15(3)29-23(25)31-21)20(26-10-16)30-17-9-19(24)22(36-4)27-11-17/h8-11,13-14H,6-7,12H2,1-5H3,(H,26,30)(H2,25,28,29,31)/t13-,14+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of human N-terminal polyHis-tagged PI3K p110alpha/p85alpha expressed in baculovirus infected Sf9 cells using phosphatidylinositol-4,5-bisp... |
J Med Chem 55: 7796-816 (2012)
Article DOI: 10.1021/jm300846z BindingDB Entry DOI: 10.7270/Q2028SPT |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50396808
(CHEMBL2170081 | US8772480, 148)Show SMILES COc1ncc(Nc2ncc(cc2-c2nc(C)nc(N)n2)[C@@H](C)N2CCN(CC2)S(C)(=O)=O)cc1F |r| Show InChI InChI=1S/C22H28FN9O3S/c1-13(31-5-7-32(8-6-31)36(4,33)34)15-9-17(20-27-14(2)28-22(24)30-20)19(25-11-15)29-16-10-18(23)21(35-3)26-12-16/h9-13H,5-8H2,1-4H3,(H,25,29)(H2,24,27,28,30)/t13-/m1/s1 | 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
Similars
| PDB Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of human N-terminal polyHis-tagged PI3K p110gamma expressed in baculovirus infected Hi5 cells using ATP as substrate after 20 mins by spec... |
J Med Chem 55: 7796-816 (2012)
Article DOI: 10.1021/jm300846z BindingDB Entry DOI: 10.7270/Q2028SPT |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50343206
(CHEMBL1773728 | N-(6-(6-Chloro-5-(3-(trifluorometh...)Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NS(=O)(=O)c2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C21H14ClF3N4O3S2/c1-11(30)27-20-28-16-6-5-12(8-18(16)33-20)13-7-17(19(22)26-10-13)29-34(31,32)15-4-2-3-14(9-15)21(23,24)25/h2-10,29H,1H3,(H,27,28,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kalpha expressed in Sf9 cells |
J Med Chem 54: 1789-811 (2011)
Article DOI: 10.1021/jm1014605 BindingDB Entry DOI: 10.7270/Q2TH8N1K |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50343207
(CHEMBL1773729 | N-(6-(6-Chloro-5-(4-(trifluorometh...)Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c1 Show InChI InChI=1S/C21H14ClF3N4O3S2/c1-11(30)27-20-28-16-7-2-12(9-18(16)33-20)13-8-17(19(22)26-10-13)29-34(31,32)15-5-3-14(4-6-15)21(23,24)25/h2-10,29H,1H3,(H,27,28,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kalpha expressed in Sf9 cells |
J Med Chem 54: 1789-811 (2011)
Article DOI: 10.1021/jm1014605 BindingDB Entry DOI: 10.7270/Q2TH8N1K |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50343208
(CHEMBL1773730 | N-(6-(6-Chloro-5-(2-chlorophenylsu...)Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NS(=O)(=O)c2ccccc2Cl)c1 Show InChI InChI=1S/C20H14Cl2N4O3S2/c1-11(27)24-20-25-15-7-6-12(9-17(15)30-20)13-8-16(19(22)23-10-13)26-31(28,29)18-5-3-2-4-14(18)21/h2-10,26H,1H3,(H,24,25,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kalpha expressed in Sf9 cells |
J Med Chem 54: 1789-811 (2011)
Article DOI: 10.1021/jm1014605 BindingDB Entry DOI: 10.7270/Q2TH8N1K |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50343209
(CHEMBL1773731 | N-(6-(6-Chloro-5-(3-chlorophenylsu...)Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NS(=O)(=O)c2cccc(Cl)c2)c1 Show InChI InChI=1S/C20H14Cl2N4O3S2/c1-11(27)24-20-25-16-6-5-12(8-18(16)30-20)13-7-17(19(22)23-10-13)26-31(28,29)15-4-2-3-14(21)9-15/h2-10,26H,1H3,(H,24,25,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kalpha expressed in Sf9 cells |
J Med Chem 54: 1789-811 (2011)
Article DOI: 10.1021/jm1014605 BindingDB Entry DOI: 10.7270/Q2TH8N1K |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50343212
(CHEMBL1773734 | N-(6-(6-Chloro-5-(4-tert-butylphen...)Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)c1 Show InChI InChI=1S/C24H23ClN4O3S2/c1-14(30)27-23-28-19-10-5-15(12-21(19)33-23)16-11-20(22(25)26-13-16)29-34(31,32)18-8-6-17(7-9-18)24(2,3)4/h5-13,29H,1-4H3,(H,27,28,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kalpha expressed in Sf9 cells |
J Med Chem 54: 1789-811 (2011)
Article DOI: 10.1021/jm1014605 BindingDB Entry DOI: 10.7270/Q2TH8N1K |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50343211
(CHEMBL1773733 | N-(6-(5-(3-tert-Butylphenylsulfona...)Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NS(=O)(=O)c2cccc(c2)C(C)(C)C)c1 Show InChI InChI=1S/C24H23ClN4O3S2/c1-14(30)27-23-28-19-9-8-15(11-21(19)33-23)16-10-20(22(25)26-13-16)29-34(31,32)18-7-5-6-17(12-18)24(2,3)4/h5-13,29H,1-4H3,(H,27,28,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kalpha expressed in Sf9 cells |
J Med Chem 54: 1789-811 (2011)
Article DOI: 10.1021/jm1014605 BindingDB Entry DOI: 10.7270/Q2TH8N1K |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50343210
(CHEMBL1773732 | N-(6-(6-Chloro-5-(4-chlorophenylsu...)Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(Cl)cc2)c1 Show InChI InChI=1S/C20H14Cl2N4O3S2/c1-11(27)24-20-25-16-7-2-12(9-18(16)30-20)13-8-17(19(22)23-10-13)26-31(28,29)15-5-3-14(21)4-6-15/h2-10,26H,1H3,(H,24,25,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kalpha expressed in Sf9 cells |
J Med Chem 54: 1789-811 (2011)
Article DOI: 10.1021/jm1014605 BindingDB Entry DOI: 10.7270/Q2TH8N1K |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50343203
(CHEMBL1773604 | N-(6-(6-Chloro-5-(4-methoxyphenyls...)Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1Cl)-c1ccc2nc(NC(C)=O)sc2c1 Show InChI InChI=1S/C21H17ClN4O4S2/c1-12(27)24-21-25-17-8-3-13(10-19(17)31-21)14-9-18(20(22)23-11-14)26-32(28,29)16-6-4-15(30-2)5-7-16/h3-11,26H,1-2H3,(H,24,25,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kalpha expressed in Sf9 cells |
J Med Chem 54: 1789-811 (2011)
Article DOI: 10.1021/jm1014605 BindingDB Entry DOI: 10.7270/Q2TH8N1K |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50343213
(CHEMBL1773735 | N-(6-(6-Chloro-5-(2-fluorophenylsu...)Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NS(=O)(=O)c2ccccc2F)c1 Show InChI InChI=1S/C20H14ClFN4O3S2/c1-11(27)24-20-25-15-7-6-12(9-17(15)30-20)13-8-16(19(21)23-10-13)26-31(28,29)18-5-3-2-4-14(18)22/h2-10,26H,1H3,(H,24,25,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kalpha expressed in Sf9 cells |
J Med Chem 54: 1789-811 (2011)
Article DOI: 10.1021/jm1014605 BindingDB Entry DOI: 10.7270/Q2TH8N1K |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50401256
(CHEMBL2206904 | US8772480, 331)Show SMILES COc1cnc(Nc2cnc(Cl)c(NS(=O)(=O)N(C)C)c2)c(c1)-c1nc(C)nc(N)n1 Show InChI InChI=1S/C17H20ClN9O3S/c1-9-22-16(25-17(19)23-9)12-6-11(30-4)8-21-15(12)24-10-5-13(14(18)20-7-10)26-31(28,29)27(2)3/h5-8,26H,1-4H3,(H,21,24)(H2,19,22,23,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of human N-terminal polyHis-tagged PI3K p110delta expressed in baculovirus infected Hi5 cells using Phosphatidylinositol-4,5-bisphosphate ... |
Bioorg Med Chem Lett 22: 5714-20 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.078 BindingDB Entry DOI: 10.7270/Q2MG7QNW |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50343214
(CHEMBL1773736 | N-(6-(6-Chloro-5-(3-fluorophenylsu...)Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NS(=O)(=O)c2cccc(F)c2)c1 Show InChI InChI=1S/C20H14ClFN4O3S2/c1-11(27)24-20-25-16-6-5-12(8-18(16)30-20)13-7-17(19(21)23-10-13)26-31(28,29)15-4-2-3-14(22)9-15/h2-10,26H,1H3,(H,24,25,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kalpha expressed in Sf9 cells |
J Med Chem 54: 1789-811 (2011)
Article DOI: 10.1021/jm1014605 BindingDB Entry DOI: 10.7270/Q2TH8N1K |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50343200
(CHEMBL1615189 | N-(6-(6-Chloro-5-(4-fluorophenylsu...)Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 Show InChI InChI=1S/C20H14ClFN4O3S2/c1-11(27)24-20-25-16-7-2-12(9-18(16)30-20)13-8-17(19(21)23-10-13)26-31(28,29)15-5-3-14(22)4-6-15/h2-10,26H,1H3,(H,24,25,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kdelta expressed in Sf9 cells |
J Med Chem 54: 1789-811 (2011)
Article DOI: 10.1021/jm1014605 BindingDB Entry DOI: 10.7270/Q2TH8N1K |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50343202
(CHEMBL1773603 | N-(6-(5-(4-Methoxyphenylsulfonamid...)Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1C)-c1ccc2nc(NC(C)=O)sc2c1 Show InChI InChI=1S/C22H20N4O4S2/c1-13-20(26-32(28,29)18-7-5-17(30-3)6-8-18)10-16(12-23-13)15-4-9-19-21(11-15)31-22(25-19)24-14(2)27/h4-12,26H,1-3H3,(H,24,25,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kalpha expressed in Sf9 cells |
J Med Chem 54: 1789-811 (2011)
Article DOI: 10.1021/jm1014605 BindingDB Entry DOI: 10.7270/Q2TH8N1K |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50401269
(CHEMBL2206913)Show SMILES Cc1nc(N)nc(n1)-c1cccnc1Nc1cnc(Cl)c(NS(C)(=O)=O)c1 Show InChI InChI=1S/C15H15ClN8O2S/c1-8-20-14(23-15(17)21-8)10-4-3-5-18-13(10)22-9-6-11(12(16)19-7-9)24-27(2,25)26/h3-7,24H,1-2H3,(H,18,22)(H2,17,20,21,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of human N-terminal polyHis-tagged PI3K p110delta expressed in baculovirus infected Hi5 cells using Phosphatidylinositol-4,5-bisphosphate ... |
Bioorg Med Chem Lett 22: 5714-20 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.078 BindingDB Entry DOI: 10.7270/Q2MG7QNW |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50343200
(CHEMBL1615189 | N-(6-(6-Chloro-5-(4-fluorophenylsu...)Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 Show InChI InChI=1S/C20H14ClFN4O3S2/c1-11(27)24-20-25-16-7-2-12(9-18(16)30-20)13-8-17(19(21)23-10-13)26-31(28,29)15-5-3-14(22)4-6-15/h2-10,26H,1H3,(H,24,25,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kalpha expressed in Sf9 cells |
J Med Chem 54: 1789-811 (2011)
Article DOI: 10.1021/jm1014605 BindingDB Entry DOI: 10.7270/Q2TH8N1K |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50414590
(CHEMBL561598)Show InChI InChI=1S/C19H22N4/c1-2-4-15(5-3-1)14-23(17-8-10-20-11-9-17)18-6-7-19-16(12-18)13-21-22-19/h1-7,12-13,17,20H,8-11,14H2,(H,21,22) | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description Inhibition of SERT |
Bioorg Med Chem Lett 19: 4630-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.06.076 BindingDB Entry DOI: 10.7270/Q2WH2R7V |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50414583
(CHEMBL564094)Show InChI InChI=1S/C20H22FN3/c21-17-3-1-2-15(12-17)14-24(18-7-9-22-10-8-18)19-4-5-20-16(13-19)6-11-23-20/h1-6,11-13,18,22-23H,7-10,14H2 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description Inhibition of SERT |
Bioorg Med Chem Lett 19: 4630-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.06.076 BindingDB Entry DOI: 10.7270/Q2WH2R7V |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50343201
(CHEMBL1773602 | N-(6-(6-Cyano-5-(4-methoxyphenylsu...)Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1C#N)-c1ccc2nc(NC(C)=O)sc2c1 Show InChI InChI=1S/C22H17N5O4S2/c1-13(28)25-22-26-18-8-3-14(10-21(18)32-22)15-9-19(20(11-23)24-12-15)27-33(29,30)17-6-4-16(31-2)5-7-17/h3-10,12,27H,1-2H3,(H,25,26,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kalpha expressed in Sf9 cells |
J Med Chem 54: 1789-811 (2011)
Article DOI: 10.1021/jm1014605 BindingDB Entry DOI: 10.7270/Q2TH8N1K |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50343204
(CHEMBL1773605 | N-(6-(6-Chloro-5-(phenylsulfonamid...)Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NS(=O)(=O)c2ccccc2)c1 Show InChI InChI=1S/C20H15ClN4O3S2/c1-12(26)23-20-24-16-8-7-13(10-18(16)29-20)14-9-17(19(21)22-11-14)25-30(27,28)15-5-3-2-4-6-15/h2-11,25H,1H3,(H,23,24,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kalpha expressed in Sf9 cells |
J Med Chem 54: 1789-811 (2011)
Article DOI: 10.1021/jm1014605 BindingDB Entry DOI: 10.7270/Q2TH8N1K |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50414597
(CHEMBL550870)Show InChI InChI=1S/C21H25N3O/c1-25-20-4-2-3-16(13-20)15-24(18-8-10-22-11-9-18)19-5-6-21-17(14-19)7-12-23-21/h2-7,12-14,18,22-23H,8-11,15H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.58 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description Inhibition of SERT |
Bioorg Med Chem Lett 19: 4630-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.06.076 BindingDB Entry DOI: 10.7270/Q2WH2R7V |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50343197
(CHEMBL1773599 | N-(6-(5-(4-Methoxyphenylsulfonamid...)Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1cncc(c1)-c1ccc2nc(NC(C)=O)sc2c1 Show InChI InChI=1S/C21H18N4O4S2/c1-13(26)23-21-24-19-8-3-14(10-20(19)30-21)15-9-16(12-22-11-15)25-31(27,28)18-6-4-17(29-2)5-7-18/h3-12,25H,1-2H3,(H,23,24,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kalpha expressed in Sf9 cells |
J Med Chem 54: 1789-811 (2011)
Article DOI: 10.1021/jm1014605 BindingDB Entry DOI: 10.7270/Q2TH8N1K |
More data for this Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2
(Homo sapiens (Human)) | BDBM50048855
(3-(5-Cyclopropyl-[1,2,4]oxadiazol-3-yl)-4H-imidazo...)Show SMILES CN(C)C(=O)N1Cc2c(ncn2-c2ccccc12)-c1noc(n1)C1CC1 Show InChI InChI=1S/C18H18N6O2/c1-22(2)18(25)23-9-14-15(16-20-17(26-21-16)11-7-8-11)19-10-24(14)13-6-4-3-5-12(13)23/h3-6,10-11H,7-9H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]flunitrazepam from GABA-A receptor alpha-1-beta-2-gamma-2 subunits expressed in Sf9 cells |
J Med Chem 39: 158-75 (1996)
Article DOI: 10.1021/jm940765f BindingDB Entry DOI: 10.7270/Q2PZ57WX |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50401251
(CHEMBL2206909)Show SMILES CN(C)S(=O)(=O)Nc1cc(Nc2ncc(CN3CCOCC3)cc2-c2nc(C)nc(N)n2)cnc1Cl Show InChI InChI=1S/C21H27ClN10O3S/c1-13-26-20(29-21(23)27-13)16-8-14(12-32-4-6-35-7-5-32)10-25-19(16)28-15-9-17(18(22)24-11-15)30-36(33,34)31(2)3/h8-11,30H,4-7,12H2,1-3H3,(H,25,28)(H2,23,26,27,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of human N-terminal polyHis-tagged PI3K p110alpha expressed in baculovirus infected Hi5 cells using Phosphatidylinositol-4,5-bisphosphate ... |
Bioorg Med Chem Lett 22: 5714-20 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.078 BindingDB Entry DOI: 10.7270/Q2MG7QNW |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50343200
(CHEMBL1615189 | N-(6-(6-Chloro-5-(4-fluorophenylsu...)Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 Show InChI InChI=1S/C20H14ClFN4O3S2/c1-11(27)24-20-25-16-7-2-12(9-18(16)30-20)13-8-17(19(21)23-10-13)26-31(28,29)15-5-3-14(22)4-6-15/h2-10,26H,1H3,(H,24,25,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kbeta expressed in Sf9 cells |
J Med Chem 54: 1789-811 (2011)
Article DOI: 10.1021/jm1014605 BindingDB Entry DOI: 10.7270/Q2TH8N1K |
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)) | BDBM50396821
(CHEMBL2170087 | US8772480, 361)Show SMILES COc1ncc(Nc2ncc(cc2-c2nc(C)nc(N)n2)[C@H](C)N2CCN(C[C@H]2C)S(C)(=O)=O)cc1F |r| Show InChI InChI=1S/C23H30FN9O3S/c1-13-12-32(37(5,34)35)6-7-33(13)14(2)16-8-18(21-28-15(3)29-23(25)31-21)20(26-10-16)30-17-9-19(24)22(36-4)27-11-17/h8-11,13-14H,6-7,12H2,1-5H3,(H,26,30)(H2,25,28,29,31)/t13-,14+/m1/s1 | 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
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of human N-terminal polyHis-tagged PI3K p110delta/p85alpha expressed in baculovirus infected Sf9 cells using phosphatidylinositol-4,5-bisp... |
J Med Chem 55: 7796-816 (2012)
Article DOI: 10.1021/jm300846z BindingDB Entry DOI: 10.7270/Q2028SPT |
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)) | BDBM50396808
(CHEMBL2170081 | US8772480, 148)Show SMILES COc1ncc(Nc2ncc(cc2-c2nc(C)nc(N)n2)[C@@H](C)N2CCN(CC2)S(C)(=O)=O)cc1F |r| Show InChI InChI=1S/C22H28FN9O3S/c1-13(31-5-7-32(8-6-31)36(4,33)34)15-9-17(20-27-14(2)28-22(24)30-20)19(25-11-15)29-16-10-18(23)21(35-3)26-12-16/h9-13H,5-8H2,1-4H3,(H,25,29)(H2,24,27,28,30)/t13-/m1/s1 | 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
Similars
| Article PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of human N-terminal polyHis-tagged PI3K p110delta/p85alpha expressed in baculovirus infected Sf9 cells using phosphatidylinositol-4,5-bisp... |
J Med Chem 55: 7796-816 (2012)
Article DOI: 10.1021/jm300846z BindingDB Entry DOI: 10.7270/Q2028SPT |
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)) | BDBM50396822
(CHEMBL2170086 | US8772480, 360)Show SMILES COc1ncc(Nc2ncc(cc2-c2nc(C)nc(N)n2)[C@@H](C)N2CCN(C[C@H]2C)S(C)(=O)=O)cc1F |r| Show InChI InChI=1S/C23H30FN9O3S/c1-13-12-32(37(5,34)35)6-7-33(13)14(2)16-8-18(21-28-15(3)29-23(25)31-21)20(26-10-16)30-17-9-19(24)22(36-4)27-11-17/h8-11,13-14H,6-7,12H2,1-5H3,(H,26,30)(H2,25,28,29,31)/t13-,14-/m1/s1 | 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
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of human N-terminal polyHis-tagged PI3K p110delta/p85alpha expressed in baculovirus infected Sf9 cells using phosphatidylinositol-4,5-bisp... |
J Med Chem 55: 7796-816 (2012)
Article DOI: 10.1021/jm300846z BindingDB Entry DOI: 10.7270/Q2028SPT |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50401253
(CHEMBL2206907 | US8772480, 328)Show SMILES Cc1nc(N)nc(n1)-c1cc(cnc1Nc1cnc(Cl)c(NS(C)(=O)=O)c1)C1CCOCC1 Show InChI InChI=1S/C20H23ClN8O3S/c1-11-25-19(28-20(22)26-11)15-7-13(12-3-5-32-6-4-12)9-24-18(15)27-14-8-16(17(21)23-10-14)29-33(2,30)31/h7-10,12,29H,3-6H2,1-2H3,(H,24,27)(H2,22,25,26,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of human N-terminal polyHis-tagged PI3K p110alpha expressed in baculovirus infected Hi5 cells using Phosphatidylinositol-4,5-bisphosphate ... |
Bioorg Med Chem Lett 22: 5714-20 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.078 BindingDB Entry DOI: 10.7270/Q2MG7QNW |
More data for this Ligand-Target Pair | |