Found 136 hits with Last Name = 'barbacid' and Initial = 'm' 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 |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50420714
(CHEMBL2087474)Show SMILES CS(=O)(=O)N1CCN(Cc2cn3cc(nc(N4CCOCC4)c3n2)-c2cnc(N)nc2)CC1 Show InChI InChI=1S/C20H27N9O3S/c1-33(30,31)29-4-2-26(3-5-29)12-16-13-28-14-17(15-10-22-20(21)23-11-15)25-19(18(28)24-16)27-6-8-32-9-7-27/h10-11,13-14H,2-9,12H2,1H3,(H2,21,22,23) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Spanish National Cancer Research Centre (CNIO)
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kalpha (p110alpha/p85alpha) by ADP accumulation based HTRF assay |
Bioorg Med Chem Lett 22: 3460-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.090 BindingDB Entry DOI: 10.7270/Q26W9CCB |
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)) | BDBM50420730
(CHEMBL2087493)Show SMILES CS(=O)(=O)N1CCN(Cc2cn3c(Cl)c(nc(N4CCOCC4)c3n2)-c2cnc(N)nc2)CC1 Show InChI InChI=1S/C20H26ClN9O3S/c1-34(31,32)29-4-2-27(3-5-29)12-15-13-30-17(21)16(14-10-23-20(22)24-11-14)26-18(19(30)25-15)28-6-8-33-9-7-28/h10-11,13H,2-9,12H2,1H3,(H2,22,23,24) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Spanish National Cancer Research Centre (CNIO)
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kalpha (p110alpha/p85alpha) by ADP accumulation based HTRF assay |
Bioorg Med Chem Lett 22: 3460-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.090 BindingDB Entry DOI: 10.7270/Q26W9CCB |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50388102
(CHEMBL2058172)Show SMILES COCCNC(=O)c1nc2c(nc(cn2c1C)-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C19H24N8O3/c1-12-15(18(28)21-3-6-29-2)25-17-16(26-4-7-30-8-5-26)24-14(11-27(12)17)13-9-22-19(20)23-10-13/h9-11H,3-8H2,1-2H3,(H,21,28)(H2,20,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Spanish National Cancer Research Centre
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kalpha by HTRF assay |
Bioorg Med Chem Lett 22: 5208-14 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.093 BindingDB Entry DOI: 10.7270/Q24Q7W1Z |
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)) | BDBM50420719
(CHEMBL2087479)Show SMILES CS(=O)(=O)N1CCN(Cc2cn3cc(nc(N4CCOCC4)c3n2)-c2cnc(N)nc2C(F)(F)F)CC1 Show InChI InChI=1S/C21H26F3N9O3S/c1-37(34,35)33-4-2-30(3-5-33)11-14-12-32-13-16(15-10-26-20(25)29-17(15)21(22,23)24)28-19(18(32)27-14)31-6-8-36-9-7-31/h10,12-13H,2-9,11H2,1H3,(H2,25,26,29) | 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
| 5.06 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Spanish National Cancer Research Centre (CNIO)
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kdelta (p110delta/p85alpha) by ADP accumulation based HTRF assay |
Bioorg Med Chem Lett 22: 3460-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.090 BindingDB Entry DOI: 10.7270/Q26W9CCB |
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)) | BDBM50420736
(CHEMBL2087483)Show SMILES C[C@H]1CN(Cc2cn3cc(nc(N4CCOCC4)c3n2)-c2cnc(N)nc2)CCN1S(C)(=O)=O |r| Show InChI InChI=1S/C21H29N9O3S/c1-15-11-27(3-4-30(15)34(2,31)32)12-17-13-29-14-18(16-9-23-21(22)24-10-16)26-20(19(29)25-17)28-5-7-33-8-6-28/h9-10,13-15H,3-8,11-12H2,1-2H3,(H2,22,23,24)/t15-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Spanish National Cancer Research Centre (CNIO)
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kalpha (p110alpha/p85alpha) by ADP accumulation based HTRF assay |
Bioorg Med Chem Lett 22: 3460-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.090 BindingDB Entry DOI: 10.7270/Q26W9CCB |
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)) | BDBM50420719
(CHEMBL2087479)Show SMILES CS(=O)(=O)N1CCN(Cc2cn3cc(nc(N4CCOCC4)c3n2)-c2cnc(N)nc2C(F)(F)F)CC1 Show InChI InChI=1S/C21H26F3N9O3S/c1-37(34,35)33-4-2-30(3-5-33)11-14-12-32-13-16(15-10-26-20(25)29-17(15)21(22,23)24)28-19(18(32)27-14)31-6-8-36-9-7-31/h10,12-13H,2-9,11H2,1H3,(H2,25,26,29) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Spanish National Cancer Research Centre (CNIO)
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kalpha (p110alpha/p85alpha) by ADP accumulation based HTRF assay |
Bioorg Med Chem Lett 22: 3460-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.090 BindingDB Entry DOI: 10.7270/Q26W9CCB |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50388102
(CHEMBL2058172)Show SMILES COCCNC(=O)c1nc2c(nc(cn2c1C)-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C19H24N8O3/c1-12-15(18(28)21-3-6-29-2)25-17-16(26-4-7-30-8-5-26)24-14(11-27(12)17)13-9-22-19(20)23-10-13/h9-11H,3-8H2,1-2H3,(H,21,28)(H2,20,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Spanish National Cancer Research Centre
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kdelta by HTRF assay |
Bioorg Med Chem Lett 22: 5208-14 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.093 BindingDB Entry DOI: 10.7270/Q24Q7W1Z |
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)) | BDBM50420730
(CHEMBL2087493)Show SMILES CS(=O)(=O)N1CCN(Cc2cn3c(Cl)c(nc(N4CCOCC4)c3n2)-c2cnc(N)nc2)CC1 Show InChI InChI=1S/C20H26ClN9O3S/c1-34(31,32)29-4-2-27(3-5-29)12-15-13-30-17(21)16(14-10-23-20(22)24-11-14)26-18(19(30)25-15)28-6-8-33-9-7-28/h10-11,13H,2-9,12H2,1H3,(H2,22,23,24) | 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
| 9.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Spanish National Cancer Research Centre (CNIO)
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kdelta (p110delta/p85alpha) by ADP accumulation based HTRF assay |
Bioorg Med Chem Lett 22: 3460-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.090 BindingDB Entry DOI: 10.7270/Q26W9CCB |
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)) | BDBM50420703
(CHEMBL2087492)Show SMILES Cc1c(CN2CCN(CC2)S(C)(=O)=O)nc2c(nc(cn12)-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C21H29N9O3S/c1-15-17(13-27-3-5-29(6-4-27)34(2,31)32)25-20-19(28-7-9-33-10-8-28)26-18(14-30(15)20)16-11-23-21(22)24-12-16/h11-12,14H,3-10,13H2,1-2H3,(H2,22,23,24) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 10.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Spanish National Cancer Research Centre (CNIO)
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kalpha (p110alpha/p85alpha) by ADP accumulation based HTRF assay |
Bioorg Med Chem Lett 22: 3460-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.090 BindingDB Entry DOI: 10.7270/Q26W9CCB |
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)) | BDBM50420714
(CHEMBL2087474)Show SMILES CS(=O)(=O)N1CCN(Cc2cn3cc(nc(N4CCOCC4)c3n2)-c2cnc(N)nc2)CC1 Show InChI InChI=1S/C20H27N9O3S/c1-33(30,31)29-4-2-26(3-5-29)12-16-13-28-14-17(15-10-22-20(21)23-11-15)25-19(18(28)24-16)27-6-8-32-9-7-27/h10-11,13-14H,2-9,12H2,1H3,(H2,21,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| 14.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Spanish National Cancer Research Centre (CNIO)
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kdelta (p110delta/p85alpha) by ADP accumulation based HTRF assay |
Bioorg Med Chem Lett 22: 3460-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.090 BindingDB Entry DOI: 10.7270/Q26W9CCB |
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)) | BDBM50420736
(CHEMBL2087483)Show SMILES C[C@H]1CN(Cc2cn3cc(nc(N4CCOCC4)c3n2)-c2cnc(N)nc2)CCN1S(C)(=O)=O |r| Show InChI InChI=1S/C21H29N9O3S/c1-15-11-27(3-4-30(15)34(2,31)32)12-17-13-29-14-18(16-9-23-21(22)24-10-16)26-20(19(29)25-17)28-5-7-33-8-6-28/h9-10,13-15H,3-8,11-12H2,1-2H3,(H2,22,23,24)/t15-/m0/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
| 14.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Spanish National Cancer Research Centre (CNIO)
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kdelta (p110delta/p85alpha) by ADP accumulation based HTRF assay |
Bioorg Med Chem Lett 22: 3460-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.090 BindingDB Entry DOI: 10.7270/Q26W9CCB |
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)) | BDBM50420703
(CHEMBL2087492)Show SMILES Cc1c(CN2CCN(CC2)S(C)(=O)=O)nc2c(nc(cn12)-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C21H29N9O3S/c1-15-17(13-27-3-5-29(6-4-27)34(2,31)32)25-20-19(28-7-9-33-10-8-28)26-18(14-30(15)20)16-11-23-21(22)24-12-16/h11-12,14H,3-10,13H2,1-2H3,(H2,22,23,24) | 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
| 15.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Spanish National Cancer Research Centre (CNIO)
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kdelta (p110delta/p85alpha) by ADP accumulation based HTRF assay |
Bioorg Med Chem Lett 22: 3460-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.090 BindingDB Entry DOI: 10.7270/Q26W9CCB |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50420719
(CHEMBL2087479)Show SMILES CS(=O)(=O)N1CCN(Cc2cn3cc(nc(N4CCOCC4)c3n2)-c2cnc(N)nc2C(F)(F)F)CC1 Show InChI InChI=1S/C21H26F3N9O3S/c1-37(34,35)33-4-2-30(3-5-33)11-14-12-32-13-16(15-10-26-20(25)29-17(15)21(22,23)24)28-19(18(32)27-14)31-6-8-36-9-7-31/h10,12-13H,2-9,11H2,1H3,(H2,25,26,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 26.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Spanish National Cancer Research Centre (CNIO)
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kgamma by ADP accumulation based HTRF assay |
Bioorg Med Chem Lett 22: 3460-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.090 BindingDB Entry DOI: 10.7270/Q26W9CCB |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50420703
(CHEMBL2087492)Show SMILES Cc1c(CN2CCN(CC2)S(C)(=O)=O)nc2c(nc(cn12)-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C21H29N9O3S/c1-15-17(13-27-3-5-29(6-4-27)34(2,31)32)25-20-19(28-7-9-33-10-8-28)26-18(14-30(15)20)16-11-23-21(22)24-12-16/h11-12,14H,3-10,13H2,1-2H3,(H2,22,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 59.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Spanish National Cancer Research Centre (CNIO)
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kgamma by ADP accumulation based HTRF assay |
Bioorg Med Chem Lett 22: 3460-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.090 BindingDB Entry DOI: 10.7270/Q26W9CCB |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50388102
(CHEMBL2058172)Show SMILES COCCNC(=O)c1nc2c(nc(cn2c1C)-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C19H24N8O3/c1-12-15(18(28)21-3-6-29-2)25-17-16(26-4-7-30-8-5-26)24-14(11-27(12)17)13-9-22-19(20)23-10-13/h9-11H,3-8H2,1-2H3,(H,21,28)(H2,20,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 62.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Spanish National Cancer Research Centre
Curated by ChEMBL
| Assay Description Inhibition of PI3Kgamma assessed as accumulation of ADP |
Bioorg Med Chem Lett 22: 5208-14 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.093 BindingDB Entry DOI: 10.7270/Q24Q7W1Z |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50420730
(CHEMBL2087493)Show SMILES CS(=O)(=O)N1CCN(Cc2cn3c(Cl)c(nc(N4CCOCC4)c3n2)-c2cnc(N)nc2)CC1 Show InChI InChI=1S/C20H26ClN9O3S/c1-34(31,32)29-4-2-27(3-5-29)12-15-13-30-17(21)16(14-10-23-20(22)24-11-14)26-18(19(30)25-15)28-6-8-33-9-7-28/h10-11,13H,2-9,12H2,1H3,(H2,22,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 84 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Spanish National Cancer Research Centre (CNIO)
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kgamma by ADP accumulation based HTRF assay |
Bioorg Med Chem Lett 22: 3460-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.090 BindingDB Entry DOI: 10.7270/Q26W9CCB |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50388102
(CHEMBL2058172)Show SMILES COCCNC(=O)c1nc2c(nc(cn2c1C)-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C19H24N8O3/c1-12-15(18(28)21-3-6-29-2)25-17-16(26-4-7-30-8-5-26)24-14(11-27(12)17)13-9-22-19(20)23-10-13/h9-11H,3-8H2,1-2H3,(H,21,28)(H2,20,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 94.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Spanish National Cancer Research Centre
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kbeta by HTRF assay |
Bioorg Med Chem Lett 22: 5208-14 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.093 BindingDB Entry DOI: 10.7270/Q24Q7W1Z |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50420736
(CHEMBL2087483)Show SMILES C[C@H]1CN(Cc2cn3cc(nc(N4CCOCC4)c3n2)-c2cnc(N)nc2)CCN1S(C)(=O)=O |r| Show InChI InChI=1S/C21H29N9O3S/c1-15-11-27(3-4-30(15)34(2,31)32)12-17-13-29-14-18(16-9-23-21(22)24-10-16)26-20(19(29)25-17)28-5-7-33-8-6-28/h9-10,13-15H,3-8,11-12H2,1-2H3,(H2,22,23,24)/t15-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 124 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Spanish National Cancer Research Centre (CNIO)
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kgamma by ADP accumulation based HTRF assay |
Bioorg Med Chem Lett 22: 3460-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.090 BindingDB Entry DOI: 10.7270/Q26W9CCB |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50420714
(CHEMBL2087474)Show SMILES CS(=O)(=O)N1CCN(Cc2cn3cc(nc(N4CCOCC4)c3n2)-c2cnc(N)nc2)CC1 Show InChI InChI=1S/C20H27N9O3S/c1-33(30,31)29-4-2-26(3-5-29)12-16-13-28-14-17(15-10-22-20(21)23-11-15)25-19(18(28)24-16)27-6-8-32-9-7-27/h10-11,13-14H,2-9,12H2,1H3,(H2,21,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| 179 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Spanish National Cancer Research Centre (CNIO)
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kgamma by ADP accumulation based HTRF assay |
Bioorg Med Chem Lett 22: 3460-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.090 BindingDB Entry DOI: 10.7270/Q26W9CCB |
More data for this Ligand-Target Pair | |
Dimer of Protein farnesyltransferase subunit beta
(Homo sapiens (Human)) | BDBM50048982
((R)-2-({(R)-2-[(R)-2-((S)-2-Amino-3-mercapto-propi...)Show SMILES CSCC[C@@H](NC(=O)[C@H]1Cc2ccccc2CN1C[C@H](NC(=O)[C@H](N)CS)C(C)C)C(O)=O Show InChI InChI=1S/C23H36N4O4S2/c1-14(2)19(26-21(28)17(24)13-32)12-27-11-16-7-5-4-6-15(16)10-20(27)22(29)25-18(23(30)31)8-9-33-3/h4-7,14,17-20,32H,8-13,24H2,1-3H3,(H,25,29)(H,26,28)(H,30,31)/t17-,18-,19+,20-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.370 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description In vitro inhibitory activity against Farnesyltransferase |
J Med Chem 39: 224-36 (1996)
Article DOI: 10.1021/jm950642a BindingDB Entry DOI: 10.7270/Q2610ZDS |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50388111
(CHEMBL2058163)Show SMILES NC(=O)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cnc(N)nc1 Show InChI InChI=1S/C15H16N8O2/c16-12(24)11-8-23-7-10(9-5-18-15(17)19-6-9)20-13(14(23)21-11)22-1-3-25-4-2-22/h5-8H,1-4H2,(H2,16,24)(H2,17,18,19) | 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 | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Spanish National Cancer Research Centre
Curated by ChEMBL
| Assay Description Inhibition of PI3Kalpha assessed as accumulation of ADP |
Bioorg Med Chem Lett 22: 5208-14 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.093 BindingDB Entry DOI: 10.7270/Q24Q7W1Z |
More data for this Ligand-Target Pair | |
Dimer of Protein farnesyltransferase subunit beta
(Homo sapiens (Human)) | BDBM50048970
((R)-2-({(S)-2-[(S)-2-((R)-2-Amino-3-mercapto-propy...)Show SMILES CC(C)(C)[C@H](NC[C@@H](N)CS)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@H](CCS(C)(=O)=O)C(O)=O Show InChI InChI=1S/C24H38N4O6S2/c1-24(2,3)20(26-12-17(25)14-35)22(30)28-13-16-8-6-5-7-15(16)11-19(28)21(29)27-18(23(31)32)9-10-36(4,33)34/h5-8,17-20,26,35H,9-14,25H2,1-4H3,(H,27,29)(H,31,32)/t17-,18-,19+,20-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.460 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description In vitro inhibitory activity against Farnesyltransferase |
J Med Chem 39: 224-36 (1996)
Article DOI: 10.1021/jm950642a BindingDB Entry DOI: 10.7270/Q2610ZDS |
More data for this Ligand-Target Pair | |
Dimer of Protein farnesyltransferase subunit beta
(Homo sapiens (Human)) | BDBM50048963
((R)-2-({(S)-2-[(S)-2-((R)-2-Amino-3-mercapto-propy...)Show SMILES CSCC[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](NC[C@@H](N)CS)C(C)(C)C)C(O)=O Show InChI InChI=1S/C24H38N4O4S2/c1-24(2,3)20(26-12-17(25)14-33)22(30)28-13-16-8-6-5-7-15(16)11-19(28)21(29)27-18(23(31)32)9-10-34-4/h5-8,17-20,26,33H,9-14,25H2,1-4H3,(H,27,29)(H,31,32)/t17-,18-,19+,20-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.570 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description In vitro inhibitory activity against Farnesyltransferase |
J Med Chem 39: 224-36 (1996)
Article DOI: 10.1021/jm950642a BindingDB Entry DOI: 10.7270/Q2610ZDS |
More data for this Ligand-Target Pair | |
Dimer of Protein farnesyltransferase subunit beta
(Homo sapiens (Human)) | BDBM50048972
((R)-2-({(R)-2-[(R)-2-((S)-2-Amino-3-mercapto-propy...)Show SMILES CSCC[C@@H](NC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@H](NC[C@H](N)CS)C(C)C)C(O)=O Show InChI InChI=1S/C23H36N4O4S2/c1-14(2)20(25-11-17(24)13-32)22(29)27-12-16-7-5-4-6-15(16)10-19(27)21(28)26-18(23(30)31)8-9-33-3/h4-7,14,17-20,25,32H,8-13,24H2,1-3H3,(H,26,28)(H,30,31)/t17-,18+,19+,20+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description In vitro inhibitory activity against Farnesyltransferase |
J Med Chem 39: 224-36 (1996)
Article DOI: 10.1021/jm950642a BindingDB Entry DOI: 10.7270/Q2610ZDS |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50388109
(CHEMBL2058165)Show SMILES CN(C)CCCNC(=O)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cnc(N)nc1 Show InChI InChI=1S/C20H27N9O2/c1-27(2)5-3-4-22-19(30)16-13-29-12-15(14-10-23-20(21)24-11-14)25-17(18(29)26-16)28-6-8-31-9-7-28/h10-13H,3-9H2,1-2H3,(H,22,30)(H2,21,23,24) | 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 | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Spanish National Cancer Research Centre
Curated by ChEMBL
| Assay Description Inhibition of PI3Kalpha assessed as accumulation of ADP |
Bioorg Med Chem Lett 22: 5208-14 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.093 BindingDB Entry DOI: 10.7270/Q24Q7W1Z |
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)) | BDBM50420737
(CHEMBL2087491)Show SMILES CS(=O)(=O)N1CCN(Cc2nc3c(nc(cn3c2Br)-c2cnc(N)nc2)N2CCOCC2)CC1 Show InChI InChI=1S/C20H26BrN9O3S/c1-34(31,32)29-4-2-27(3-5-29)12-16-17(21)30-13-15(14-10-23-20(22)24-11-14)25-18(19(30)26-16)28-6-8-33-9-7-28/h10-11,13H,2-9,12H2,1H3,(H2,22,23,24) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Spanish National Cancer Research Centre (CNIO)
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kalpha (p110alpha/p85alpha) by ADP accumulation based HTRF assay |
Bioorg Med Chem Lett 22: 3460-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.090 BindingDB Entry DOI: 10.7270/Q26W9CCB |
More data for this Ligand-Target Pair | |
Dimer of Protein farnesyltransferase subunit beta
(Homo sapiens (Human)) | BDBM50048967
((R)-2-({(R)-2-[(R)-2-((S)-2-Amino-3-mercapto-propy...)Show SMILES CSCC[C@@H](NC(=O)[C@H]1Cc2ccccc2CN1C[C@H](NC[C@H](N)CS)C(C)C)C(O)=O Show InChI InChI=1S/C23H38N4O3S2/c1-15(2)20(25-11-18(24)14-31)13-27-12-17-7-5-4-6-16(17)10-21(27)22(28)26-19(23(29)30)8-9-32-3/h4-7,15,18-21,25,31H,8-14,24H2,1-3H3,(H,26,28)(H,29,30)/t18-,19+,20-,21+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.75 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description In vitro inhibitory activity against Farnesyltransferase |
J Med Chem 39: 224-36 (1996)
Article DOI: 10.1021/jm950642a BindingDB Entry DOI: 10.7270/Q2610ZDS |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50388102
(CHEMBL2058172)Show SMILES COCCNC(=O)c1nc2c(nc(cn2c1C)-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C19H24N8O3/c1-12-15(18(28)21-3-6-29-2)25-17-16(26-4-7-30-8-5-26)24-14(11-27(12)17)13-9-22-19(20)23-10-13/h9-11H,3-8H2,1-2H3,(H,21,28)(H2,20,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Spanish National Cancer Research Centre
Curated by ChEMBL
| Assay Description Inhibition of PI3Kalpha assessed as accumulation of ADP |
Bioorg Med Chem Lett 22: 5208-14 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.093 BindingDB Entry DOI: 10.7270/Q24Q7W1Z |
More data for this Ligand-Target Pair | |
Dimer of Protein farnesyltransferase subunit beta
(Homo sapiens (Human)) | BDBM50048964
((R)-2-({(S)-2-[(S)-2-((R)-2-Amino-3-mercapto-propy...)Show SMILES CC(C)[C@H](NC[C@@H](N)CS)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@H](CCS(C)(=O)=O)C(O)=O Show InChI InChI=1S/C23H36N4O6S2/c1-14(2)20(25-11-17(24)13-34)22(29)27-12-16-7-5-4-6-15(16)10-19(27)21(28)26-18(23(30)31)8-9-35(3,32)33/h4-7,14,17-20,25,34H,8-13,24H2,1-3H3,(H,26,28)(H,30,31)/t17-,18-,19+,20+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.920 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description In vitro inhibitory activity against Farnesyltransferase |
J Med Chem 39: 224-36 (1996)
Article DOI: 10.1021/jm950642a BindingDB Entry DOI: 10.7270/Q2610ZDS |
More data for this Ligand-Target Pair | |
Dimer of Protein farnesyltransferase subunit beta
(Homo sapiens (Human)) | BDBM50048981
((S)-2-({(R)-2-[(S)-2-((R)-3-Mercapto-2-methyl-prop...)Show SMILES CSCC[C@H](NC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@@H](NC(=O)[C@@H](C)CS)C(C)C)C(O)=O Show InChI InChI=1S/C24H35N3O5S2/c1-14(2)20(26-21(28)15(3)13-33)23(30)27-12-17-8-6-5-7-16(17)11-19(27)22(29)25-18(24(31)32)9-10-34-4/h5-8,14-15,18-20,33H,9-13H2,1-4H3,(H,25,29)(H,26,28)(H,31,32)/t15-,18-,19+,20-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description In vitro inhibitory activity against Farnesyltransferase |
J Med Chem 39: 224-36 (1996)
Article DOI: 10.1021/jm950642a BindingDB Entry DOI: 10.7270/Q2610ZDS |
More data for this Ligand-Target Pair | |
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50048966
((R)-2-({(S)-2-[(S)-2-((R)-2-Amino-3-mercapto-propy...)Show SMILES CCCC[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](NC[C@@H](N)CS)C(C)C)C(O)=O Show InChI InChI=1S/C24H38N4O4S/c1-4-5-10-19(24(31)32)27-22(29)20-11-16-8-6-7-9-17(16)13-28(20)23(30)21(15(2)3)26-12-18(25)14-33/h6-9,15,18-21,26,33H,4-5,10-14,25H2,1-3H3,(H,27,29)(H,31,32)/t18-,19-,20+,21+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL 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 |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description In vitro inhibition of Geranylgeranyl transferase type I |
J Med Chem 39: 224-36 (1996)
Article DOI: 10.1021/jm950642a BindingDB Entry DOI: 10.7270/Q2610ZDS |
More data for this Ligand-Target Pair | |
Dimer of Protein farnesyltransferase subunit beta
(Homo sapiens (Human)) | BDBM50048968
((R)-2-({(S)-2-[(S)-2-((R)-2-Amino-3-mercapto-propy...)Show SMILES COCC[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](NC[C@@H](N)CS)C(C)(C)C)C(O)=O Show InChI InChI=1S/C24H38N4O5S/c1-24(2,3)20(26-12-17(25)14-34)22(30)28-13-16-8-6-5-7-15(16)11-19(28)21(29)27-18(23(31)32)9-10-33-4/h5-8,17-20,26,34H,9-14,25H2,1-4H3,(H,27,29)(H,31,32)/t17-,18-,19+,20-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description In vitro inhibitory activity against Farnesyltransferase |
J Med Chem 39: 224-36 (1996)
Article DOI: 10.1021/jm950642a BindingDB Entry DOI: 10.7270/Q2610ZDS |
More data for this Ligand-Target Pair | |
Dimer of Protein farnesyltransferase subunit beta
(Homo sapiens (Human)) | BDBM50048969
((R)-2-({(S)-2-[(S)-2-((R)-2-Amino-3-mercapto-propy...)Show SMILES CN(C)C(=O)CC[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](NC[C@@H](N)CS)C(C)(C)C)C(O)=O Show InChI InChI=1S/C26H41N5O5S/c1-26(2,3)22(28-13-18(27)15-37)24(34)31-14-17-9-7-6-8-16(17)12-20(31)23(33)29-19(25(35)36)10-11-21(32)30(4)5/h6-9,18-20,22,28,37H,10-15,27H2,1-5H3,(H,29,33)(H,35,36)/t18-,19-,20+,22-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
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 |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description In vitro inhibitory activity against Farnesyltransferase |
J Med Chem 39: 224-36 (1996)
Article DOI: 10.1021/jm950642a BindingDB Entry DOI: 10.7270/Q2610ZDS |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50388111
(CHEMBL2058163)Show SMILES NC(=O)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cnc(N)nc1 Show InChI InChI=1S/C15H16N8O2/c16-12(24)11-8-23-7-10(9-5-18-15(17)19-6-9)20-13(14(23)21-11)22-1-3-25-4-2-22/h5-8H,1-4H2,(H2,16,24)(H2,17,18,19) | 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 | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Spanish National Cancer Research Centre
Curated by ChEMBL
| Assay Description Inhibition of PI3Kalpha-mediated AKT phosphorylation at Ser473 in human U2OS cells by Western blot analysis |
Bioorg Med Chem Lett 22: 5208-14 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.093 BindingDB Entry DOI: 10.7270/Q24Q7W1Z |
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)) | BDBM50420714
(CHEMBL2087474)Show SMILES CS(=O)(=O)N1CCN(Cc2cn3cc(nc(N4CCOCC4)c3n2)-c2cnc(N)nc2)CC1 Show InChI InChI=1S/C20H27N9O3S/c1-33(30,31)29-4-2-26(3-5-29)12-16-13-28-14-17(15-10-22-20(21)23-11-15)25-19(18(28)24-16)27-6-8-32-9-7-27/h10-11,13-14H,2-9,12H2,1H3,(H2,21,22,23) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.34 | n/a | n/a | n/a | n/a | n/a | n/a |
Spanish National Cancer Research Centre (CNIO)
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kalpha (p110alpha/p85alpha) by ADP accumulation based HTRF assay |
Bioorg Med Chem Lett 22: 3460-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.090 BindingDB Entry DOI: 10.7270/Q26W9CCB |
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)) | BDBM50420730
(CHEMBL2087493)Show SMILES CS(=O)(=O)N1CCN(Cc2cn3c(Cl)c(nc(N4CCOCC4)c3n2)-c2cnc(N)nc2)CC1 Show InChI InChI=1S/C20H26ClN9O3S/c1-34(31,32)29-4-2-27(3-5-29)12-15-13-30-17(21)16(14-10-23-20(22)24-11-14)26-18(19(30)25-15)28-6-8-33-9-7-28/h10-11,13H,2-9,12H2,1H3,(H2,22,23,24) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Spanish National Cancer Research Centre (CNIO)
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kalpha (p110alpha/p85alpha) by ADP accumulation based HTRF assay |
Bioorg Med Chem Lett 22: 3460-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.090 BindingDB Entry DOI: 10.7270/Q26W9CCB |
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)) | BDBM50420723
(CHEMBL2087484)Show SMILES C[C@@H]1CN(Cc2cn3cc(nc(N4CCOCC4)c3n2)-c2cnc(N)nc2)CCN1S(C)(=O)=O |r| Show InChI InChI=1S/C21H29N9O3S/c1-15-11-27(3-4-30(15)34(2,31)32)12-17-13-29-14-18(16-9-23-21(22)24-10-16)26-20(19(29)25-17)28-5-7-33-8-6-28/h9-10,13-15H,3-8,11-12H2,1-2H3,(H2,22,23,24)/t15-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Spanish National Cancer Research Centre (CNIO)
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kalpha (p110alpha/p85alpha) by ADP accumulation based HTRF assay |
Bioorg Med Chem Lett 22: 3460-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.090 BindingDB Entry DOI: 10.7270/Q26W9CCB |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50388108
(CHEMBL2058166)Show SMILES COCCNC(=O)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cnc(N)nc1 Show InChI InChI=1S/C18H22N8O3/c1-28-5-2-20-17(27)14-11-26-10-13(12-8-21-18(19)22-9-12)23-15(16(26)24-14)25-3-6-29-7-4-25/h8-11H,2-7H2,1H3,(H,20,27)(H2,19,21,22) | 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 | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Spanish National Cancer Research Centre
Curated by ChEMBL
| Assay Description Inhibition of PI3Kalpha assessed as accumulation of ADP |
Bioorg Med Chem Lett 22: 5208-14 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.093 BindingDB Entry DOI: 10.7270/Q24Q7W1Z |
More data for this Ligand-Target Pair | |
Dimer of Protein farnesyltransferase subunit beta
(Homo sapiens (Human)) | BDBM50048974
((R)-2-({(S)-2-[(S)-2-((R)-2-Amino-3-mercapto-propy...)Show SMILES CC(C)(C)[C@H](NC[C@@H](N)CS)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@H](CCC(N)=O)C(O)=O Show InChI InChI=1S/C24H37N5O5S/c1-24(2,3)20(27-11-16(25)13-35)22(32)29-12-15-7-5-4-6-14(15)10-18(29)21(31)28-17(23(33)34)8-9-19(26)30/h4-7,16-18,20,27,35H,8-13,25H2,1-3H3,(H2,26,30)(H,28,31)(H,33,34)/t16-,17-,18+,20-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description In vitro inhibitory activity against Farnesyltransferase |
J Med Chem 39: 224-36 (1996)
Article DOI: 10.1021/jm950642a BindingDB Entry DOI: 10.7270/Q2610ZDS |
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)) | BDBM50420722
(CHEMBL2087482)Show SMILES C[C@H]1CN(C[C@@H](C)N1Cc1cn2cc(nc(N3CCOCC3)c2n1)-c1cnc(N)nc1)S(C)(=O)=O |r| Show InChI InChI=1S/C22H31N9O3S/c1-15-10-30(35(3,32)33)11-16(2)31(15)13-18-12-29-14-19(17-8-24-22(23)25-9-17)27-21(20(29)26-18)28-4-6-34-7-5-28/h8-9,12,14-16H,4-7,10-11,13H2,1-3H3,(H2,23,24,25)/t15-,16+ | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Spanish National Cancer Research Centre (CNIO)
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kalpha (p110alpha/p85alpha) by ADP accumulation based HTRF assay |
Bioorg Med Chem Lett 22: 3460-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.090 BindingDB Entry DOI: 10.7270/Q26W9CCB |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50388107
(CHEMBL2058167)Show SMILES COCCCNC(=O)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cnc(N)nc1 Show InChI InChI=1S/C19H24N8O3/c1-29-6-2-3-21-18(28)15-12-27-11-14(13-9-22-19(20)23-10-13)24-16(17(27)25-15)26-4-7-30-8-5-26/h9-12H,2-8H2,1H3,(H,21,28)(H2,20,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Spanish National Cancer Research Centre
Curated by ChEMBL
| Assay Description Inhibition of PI3Kalpha assessed as accumulation of ADP |
Bioorg Med Chem Lett 22: 5208-14 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.093 BindingDB Entry DOI: 10.7270/Q24Q7W1Z |
More data for this Ligand-Target Pair | |
Dimer of Protein farnesyltransferase subunit beta
(Homo sapiens (Human)) | BDBM50048975
((R)-2-({(S)-2-[(S)-2-((R)-2-Amino-3-mercapto-propy...)Show SMILES CC(C)[C@H](NC[C@@H](N)CS)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@H](CCC(N)=O)C(O)=O Show InChI InChI=1S/C23H35N5O5S/c1-13(2)20(26-10-16(24)12-34)22(31)28-11-15-6-4-3-5-14(15)9-18(28)21(30)27-17(23(32)33)7-8-19(25)29/h3-6,13,16-18,20,26,34H,7-12,24H2,1-2H3,(H2,25,29)(H,27,30)(H,32,33)/t16-,17-,18+,20+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description In vitro inhibitory activity against Farnesyltransferase |
J Med Chem 39: 224-36 (1996)
Article DOI: 10.1021/jm950642a BindingDB Entry DOI: 10.7270/Q2610ZDS |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50388110
(CHEMBL2058164)Show SMILES CN(C)CCNC(=O)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cnc(N)nc1 Show InChI InChI=1S/C19H25N9O2/c1-26(2)4-3-21-18(29)15-12-28-11-14(13-9-22-19(20)23-10-13)24-16(17(28)25-15)27-5-7-30-8-6-27/h9-12H,3-8H2,1-2H3,(H,21,29)(H2,20,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Spanish National Cancer Research Centre
Curated by ChEMBL
| Assay Description Inhibition of PI3Kalpha assessed as accumulation of ADP |
Bioorg Med Chem Lett 22: 5208-14 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.093 BindingDB Entry DOI: 10.7270/Q24Q7W1Z |
More data for this Ligand-Target Pair | |
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50048963
((R)-2-({(S)-2-[(S)-2-((R)-2-Amino-3-mercapto-propy...)Show SMILES CSCC[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](NC[C@@H](N)CS)C(C)(C)C)C(O)=O Show InChI InChI=1S/C24H38N4O4S2/c1-24(2,3)20(26-12-17(25)14-33)22(30)28-13-16-8-6-5-7-15(16)11-19(28)21(29)27-18(23(31)32)9-10-34-4/h5-8,17-20,26,33H,9-14,25H2,1-4H3,(H,27,29)(H,31,32)/t17-,18-,19+,20-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia 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 |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description In vitro inhibition of Geranylgeranyl transferase type I |
J Med Chem 39: 224-36 (1996)
Article DOI: 10.1021/jm950642a BindingDB Entry DOI: 10.7270/Q2610ZDS |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50420730
(CHEMBL2087493)Show SMILES CS(=O)(=O)N1CCN(Cc2cn3c(Cl)c(nc(N4CCOCC4)c3n2)-c2cnc(N)nc2)CC1 Show InChI InChI=1S/C20H26ClN9O3S/c1-34(31,32)29-4-2-27(3-5-29)12-15-13-30-17(21)16(14-10-23-20(22)24-11-14)26-18(19(30)25-15)28-6-8-33-9-7-28/h10-11,13H,2-9,12H2,1H3,(H2,22,23,24) | 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 | 5.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Spanish National Cancer Research Centre (CNIO)
Curated by ChEMBL
| Assay Description Inhibition of PI3Kalpha in human U2OS cells assessed as inhibition of AKT Ser 473 phosphorylation by Western blot |
Bioorg Med Chem Lett 22: 3460-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.090 BindingDB Entry DOI: 10.7270/Q26W9CCB |
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)) | BDBM50420736
(CHEMBL2087483)Show SMILES C[C@H]1CN(Cc2cn3cc(nc(N4CCOCC4)c3n2)-c2cnc(N)nc2)CCN1S(C)(=O)=O |r| Show InChI InChI=1S/C21H29N9O3S/c1-15-11-27(3-4-30(15)34(2,31)32)12-17-13-29-14-18(16-9-23-21(22)24-10-16)26-20(19(29)25-17)28-5-7-33-8-6-28/h9-10,13-15H,3-8,11-12H2,1-2H3,(H2,22,23,24)/t15-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Spanish National Cancer Research Centre (CNIO)
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kalpha (p110alpha/p85alpha) by ADP accumulation based HTRF assay |
Bioorg Med Chem Lett 22: 3460-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.090 BindingDB Entry DOI: 10.7270/Q26W9CCB |
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)) | BDBM50420719
(CHEMBL2087479)Show SMILES CS(=O)(=O)N1CCN(Cc2cn3cc(nc(N4CCOCC4)c3n2)-c2cnc(N)nc2C(F)(F)F)CC1 Show InChI InChI=1S/C21H26F3N9O3S/c1-37(34,35)33-4-2-30(3-5-33)11-14-12-32-13-16(15-10-26-20(25)29-17(15)21(22,23)24)28-19(18(32)27-14)31-6-8-36-9-7-31/h10,12-13H,2-9,11H2,1H3,(H2,25,26,29) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Spanish National Cancer Research Centre (CNIO)
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kalpha (p110alpha/p85alpha) by ADP accumulation based HTRF assay |
Bioorg Med Chem Lett 22: 3460-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.090 BindingDB Entry DOI: 10.7270/Q26W9CCB |
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)) | BDBM50420731
(CHEMBL2087494)Show SMILES CS(=O)(=O)N1CCN(Cc2cn3c(Cl)c(nc(N4CCOCC4)c3n2)-c2cnc(N)nc2C(F)(F)F)CC1 Show InChI InChI=1S/C21H25ClF3N9O3S/c1-38(35,36)33-4-2-31(3-5-33)11-13-12-34-17(22)15(14-10-27-20(26)30-16(14)21(23,24)25)29-18(19(34)28-13)32-6-8-37-9-7-32/h10,12H,2-9,11H2,1H3,(H2,26,27,30) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Spanish National Cancer Research Centre (CNIO)
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kalpha (p110alpha/p85alpha) by ADP accumulation based HTRF assay |
Bioorg Med Chem Lett 22: 3460-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.090 BindingDB Entry DOI: 10.7270/Q26W9CCB |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50420737
(CHEMBL2087491)Show SMILES CS(=O)(=O)N1CCN(Cc2nc3c(nc(cn3c2Br)-c2cnc(N)nc2)N2CCOCC2)CC1 Show InChI InChI=1S/C20H26BrN9O3S/c1-34(31,32)29-4-2-27(3-5-29)12-16-17(21)30-13-15(14-10-23-20(22)24-11-14)25-18(19(30)26-16)28-6-8-33-9-7-28/h10-11,13H,2-9,12H2,1H3,(H2,22,23,24) | 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 | 8.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Spanish National Cancer Research Centre (CNIO)
Curated by ChEMBL
| Assay Description Inhibition of PI3Kalpha in human U2OS cells assessed as inhibition of AKT Ser 473 phosphorylation by Western blot |
Bioorg Med Chem Lett 22: 3460-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.090 BindingDB Entry DOI: 10.7270/Q26W9CCB |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50420714
(CHEMBL2087474)Show SMILES CS(=O)(=O)N1CCN(Cc2cn3cc(nc(N4CCOCC4)c3n2)-c2cnc(N)nc2)CC1 Show InChI InChI=1S/C20H27N9O3S/c1-33(30,31)29-4-2-26(3-5-29)12-16-13-28-14-17(15-10-22-20(21)23-11-15)25-19(18(28)24-16)27-6-8-32-9-7-27/h10-11,13-14H,2-9,12H2,1H3,(H2,21,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 8.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Spanish National Cancer Research Centre (CNIO)
Curated by ChEMBL
| Assay Description Inhibition of PI3Kalpha in human U2OS cells assessed as inhibition of AKT Ser 473 phosphorylation by Western blot |
Bioorg Med Chem Lett 22: 3460-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.090 BindingDB Entry DOI: 10.7270/Q26W9CCB |
More data for this Ligand-Target Pair | |