Found 632 hits with Last Name = 'borsari' and Initial = 'c' 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 |
|---|
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50540827
(CHEMBL4643239)Show InChI InChI=1S/C16H23NS2.C2H2O4/c1-2-4-14(5-3-1)10-15-6-8-17(9-7-15)11-16-12-18-13-19-16;3-1(4)2(5)6/h1-5,15-16H,6-13H2;(H,3,4)(H,5,6) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Modena and Reggio Emilia
Curated by ChEMBL
| Assay Description
Displacement of [3H]-pentazocine from human Sigma 1 receptor by radioligand displacement assay |
ACS Med Chem Lett 11: 1028-1034 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00129
BindingDB Entry DOI: 10.7270/Q2833WKN |
More data for this
Ligand-Target Pair | |
Sigma intracellular receptor 2
(Homo sapiens (Human)) | BDBM50540826
(CHEMBL4647871)Show SMILES OC(=O)C(O)=O.CC1(C)SCC(CN2CCC(Cc3ccccc3)CC2)S1 Show InChI InChI=1S/C18H27NS2.C2H2O4/c1-18(2)20-14-17(21-18)13-19-10-8-16(9-11-19)12-15-6-4-3-5-7-15;3-1(4)2(5)6/h3-7,16-17H,8-14H2,1-2H3;(H,3,4)(H,5,6) | UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.590 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Modena and Reggio Emilia
Curated by ChEMBL
| Assay Description
Displacement of [3H]-ditolylguanidine from human Sigma 2 receptor by radioligand displacement assay |
ACS Med Chem Lett 11: 1028-1034 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00129
BindingDB Entry DOI: 10.7270/Q2833WKN |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50540828
(CHEMBL4633444)Show SMILES OC(=O)C(O)=O.OC(=O)C(O)=O.CC1(C)SCC(CN2CCN(Cc3ccccc3)CC2)S1 Show InChI InChI=1S/C17H26N2S2.2C2H2O4/c1-17(2)20-14-16(21-17)13-19-10-8-18(9-11-19)12-15-6-4-3-5-7-15;2*3-1(4)2(5)6/h3-7,16H,8-14H2,1-2H3;2*(H,3,4)(H,5,6) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Modena and Reggio Emilia
Curated by ChEMBL
| Assay Description
Displacement of [3H]-pentazocine from human Sigma 1 receptor by radioligand displacement assay |
ACS Med Chem Lett 11: 1028-1034 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00129
BindingDB Entry DOI: 10.7270/Q2833WKN |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50540830
(CHEMBL4646948)Show SMILES OC(=O)C(O)=O.CC1(C)OCC(CN2CCC(Cc3ccccc3)CC2)O1 Show InChI InChI=1S/C18H27NO2.C2H2O4/c1-18(2)20-14-17(21-18)13-19-10-8-16(9-11-19)12-15-6-4-3-5-7-15;3-1(4)2(5)6/h3-7,16-17H,8-14H2,1-2H3;(H,3,4)(H,5,6) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Modena and Reggio Emilia
Curated by ChEMBL
| Assay Description
Displacement of [3H]-pentazocine from human Sigma 1 receptor by radioligand displacement assay |
ACS Med Chem Lett 11: 1028-1034 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00129
BindingDB Entry DOI: 10.7270/Q2833WKN |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50151272
(CHEMBL3769930)Show InChI InChI=1S/C20H30N2O2/c1-3-7-18(8-4-1)15-21-11-13-22(14-12-21)16-19-17-23-20(24-19)9-5-2-6-10-20/h1,3-4,7-8,19H,2,5-6,9-17H2 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.740 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Modena and Reggio Emilia
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain cortex membranes after 150 mins by scintillation counting analysis |
ACS Med Chem Lett 11: 1028-1034 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00129
BindingDB Entry DOI: 10.7270/Q2833WKN |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50151272
(CHEMBL3769930)Show InChI InChI=1S/C20H30N2O2/c1-3-7-18(8-4-1)15-21-11-13-22(14-12-21)16-19-17-23-20(24-19)9-5-2-6-10-20/h1,3-4,7-8,19H,2,5-6,9-17H2 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.741 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain membranes after 150 mins by liquid scintillation counting method |
Eur J Med Chem 112: 1-19 (2016)
Article DOI: 10.1016/j.ejmech.2016.01.059
BindingDB Entry DOI: 10.7270/Q23J3FTB |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50151254
(CHEMBL3769895)Show SMILES C([C@H]1CO[C@](O1)(C1CCCCC1)c1ccccc1)N1CCN(Cc2ccccc2)CC1 |r| Show InChI InChI=1S/C27H36N2O2/c1-4-10-23(11-5-1)20-28-16-18-29(19-17-28)21-26-22-30-27(31-26,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-2,4-7,10-13,25-26H,3,8-9,14-22H2/t26-,27+/m0/s1 | PDB
UniProtKB/SwissProt
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 |
Universit£ di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain membranes after 150 mins by liquid scintillation counting method |
Eur J Med Chem 112: 1-19 (2016)
Article DOI: 10.1016/j.ejmech.2016.01.059
BindingDB Entry DOI: 10.7270/Q23J3FTB |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50540832
(CHEMBL4633796)Show SMILES OC(=O)C(O)=O.C(C1CSC2(CCCCC2)O1)N1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C20H30N2OS.C2H2O4/c1-3-7-18(8-4-1)15-21-11-13-22(14-12-21)16-19-17-24-20(23-19)9-5-2-6-10-20;3-1(4)2(5)6/h1,3-4,7-8,19H,2,5-6,9-17H2;(H,3,4)(H,5,6) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Modena and Reggio Emilia
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain cortex membranes after 150 mins by scintillation counting analysis |
ACS Med Chem Lett 11: 1028-1034 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00129
BindingDB Entry DOI: 10.7270/Q2833WKN |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50540816
(CHEMBL4634957)Show SMILES OC(=O)C(O)=O.C(C1CSC2(CCCCCC2)S1)N1CCC(Cc2ccccc2)CC1 Show InChI InChI=1S/C22H33NS2.C2H2O4/c1-2-7-13-22(12-6-1)24-18-21(25-22)17-23-14-10-20(11-15-23)16-19-8-4-3-5-9-19;3-1(4)2(5)6/h3-5,8-9,20-21H,1-2,6-7,10-18H2;(H,3,4)(H,5,6) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Modena and Reggio Emilia
Curated by ChEMBL
| Assay Description
Displacement of [3H]-pentazocine from human Sigma 1 receptor by radioligand displacement assay |
ACS Med Chem Lett 11: 1028-1034 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00129
BindingDB Entry DOI: 10.7270/Q2833WKN |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50151258
(CHEMBL3770485)Show SMILES C(C1COC(O1)(c1ccccc1)c1ccccc1)N1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C27H30N2O2/c1-4-10-23(11-5-1)20-28-16-18-29(19-17-28)21-26-22-30-27(31-26,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,26H,16-22H2 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain membranes after 150 mins by liquid scintillation counting method |
Eur J Med Chem 112: 1-19 (2016)
Article DOI: 10.1016/j.ejmech.2016.01.059
BindingDB Entry DOI: 10.7270/Q23J3FTB |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50515198
(CHEMBL4445573)Show SMILES C[C@H]1COCCN1c1nc(nc(n1)-c1cnc(N)nc1C(F)F)N1CCOCC1 |r| Show InChI InChI=1S/C17H22F2N8O2/c1-10-9-29-7-4-27(10)17-24-14(11-8-21-15(20)22-12(11)13(18)19)23-16(25-17)26-2-5-28-6-3-26/h8,10,13H,2-7,9H2,1H3,(H2,20,21,22)/t10-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Basel
Curated by ChEMBL
| Assay Description
Displacement of Alexafluor labelled kinase tracer314 from recombinant N-terminal His6-tagged PI3K p110alpha (unknown origin) incubated for 1 hr by FR... |
J Med Chem 62: 6241-6261 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00525
BindingDB Entry DOI: 10.7270/Q29G5R5G |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50540826
(CHEMBL4647871)Show SMILES OC(=O)C(O)=O.CC1(C)SCC(CN2CCC(Cc3ccccc3)CC2)S1 Show InChI InChI=1S/C18H27NS2.C2H2O4/c1-18(2)20-14-17(21-18)13-19-10-8-16(9-11-19)12-15-6-4-3-5-7-15;3-1(4)2(5)6/h3-7,16-17H,8-14H2,1-2H3;(H,3,4)(H,5,6) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Modena and Reggio Emilia
Curated by ChEMBL
| Assay Description
Displacement of [3H]-pentazocine from human Sigma 1 receptor by radioligand displacement assay |
ACS Med Chem Lett 11: 1028-1034 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00129
BindingDB Entry DOI: 10.7270/Q2833WKN |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50515212
(CHEMBL4515766)Show SMILES C[C@H]1COCCN1c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)F |r| Show InChI InChI=1S/C18H23F2N7O2/c1-11-10-29-7-4-27(11)14-8-13(12-9-22-17(21)25-15(12)16(19)20)23-18(24-14)26-2-5-28-6-3-26/h8-9,11,16H,2-7,10H2,1H3,(H2,21,22,25)/t11-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Basel
Curated by ChEMBL
| Assay Description
Displacement of Alexafluor labelled kinase tracer314 from recombinant N-terminal His6-tagged PI3K p110alpha (unknown origin) incubated for 1 hr by FR... |
J Med Chem 62: 6241-6261 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00525
BindingDB Entry DOI: 10.7270/Q29G5R5G |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50151271
(CHEMBL3769904)Show InChI InChI=1S/C21H31NO2/c1-3-7-18(8-4-1)15-19-9-13-22(14-10-19)16-20-17-23-21(24-20)11-5-2-6-12-21/h1,3-4,7-8,19-20H,2,5-6,9-17H2 | PDB
UniProtKB/SwissProt
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 |
Universit£ di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain membranes after 150 mins by liquid scintillation counting method |
Eur J Med Chem 112: 1-19 (2016)
Article DOI: 10.1016/j.ejmech.2016.01.059
BindingDB Entry DOI: 10.7270/Q23J3FTB |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50540829
(CHEMBL4637859)Show SMILES OC(=O)C(O)=O.OC(=O)C(O)=O.C(C1CSCS1)N1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C15H22N2S2.2C2H2O4/c1-2-4-14(5-3-1)10-16-6-8-17(9-7-16)11-15-12-18-13-19-15;2*3-1(4)2(5)6/h1-5,15H,6-13H2;2*(H,3,4)(H,5,6) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Modena and Reggio Emilia
Curated by ChEMBL
| Assay Description
Displacement of [3H]-pentazocine from human Sigma 1 receptor by radioligand displacement assay |
ACS Med Chem Lett 11: 1028-1034 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00129
BindingDB Entry DOI: 10.7270/Q2833WKN |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50546183
(CHEMBL4744705)Show SMILES Nc1ncc(-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)c(n1)C(F)F | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of alexa fluor 647-labeled kinase tracer 314 from recombinant N-terminal His6-tagged p110alpha (unknown origin) by TR-FRET assay |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.9b00333
BindingDB Entry DOI: 10.7270/Q2VT1WPR |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50151259
(CHEMBL3770830)Show SMILES C(C1COC(O1)(c1ccccc1)c1ccccc1)N1CCC(Cc2ccccc2)CC1 Show InChI InChI=1S/C28H31NO2/c1-4-10-23(11-5-1)20-24-16-18-29(19-17-24)21-27-22-30-28(31-27,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,24,27H,16-22H2 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain membranes after 150 mins by liquid scintillation counting method |
Eur J Med Chem 112: 1-19 (2016)
Article DOI: 10.1016/j.ejmech.2016.01.059
BindingDB Entry DOI: 10.7270/Q23J3FTB |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50505407
(CHEMBL4436124)Show SMILES [H][C@]12Cc3c(nc(nc3N3CCOC[C@H]3C)-c3cnc(N)nc3)N1CCOC2 |r| Show InChI InChI=1S/C18H23N7O2/c1-11-9-26-4-2-24(11)16-14-6-13-10-27-5-3-25(13)17(14)23-15(22-16)12-7-20-18(19)21-8-12/h7-8,11,13H,2-6,9-10H2,1H3,(H2,19,20,21)/t11-,13-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Basel
Curated by ChEMBL
| Assay Description
Inhibition of alexa fluor 647-labeled kinase tracer 314 binding to recombinant human N-terminal GST-fused mTOR (1360 to 2549 residues) expressed in b... |
J Med Chem 62: 8609-8630 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00972
BindingDB Entry DOI: 10.7270/Q2DJ5JW1 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50546184
(CHEMBL4758284)Show SMILES C[C@@H]1COCCN1c1nc(nc(n1)-c1cnc(N)nc1C(F)F)N1CCOCC1 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of alexa fluor 647-labeled kinase tracer 314 from recombinant N-terminal His6-tagged p110alpha (unknown origin) by TR-FRET assay |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.9b00333
BindingDB Entry DOI: 10.7270/Q2VT1WPR |
More data for this
Ligand-Target Pair | |
Sigma intracellular receptor 2
(Homo sapiens (Human)) | BDBM50540815
(CHEMBL4642427)Show SMILES OC(=O)C(O)=O.C(C1CSC2(CCCC2)S1)N1CCC(Cc2ccccc2)CC1 Show InChI InChI=1S/C20H29NS2.C2H2O4/c1-2-6-17(7-3-1)14-18-8-12-21(13-9-18)15-19-16-22-20(23-19)10-4-5-11-20;3-1(4)2(5)6/h1-3,6-7,18-19H,4-5,8-16H2;(H,3,4)(H,5,6) | UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Modena and Reggio Emilia
Curated by ChEMBL
| Assay Description
Displacement of [3H]-ditolylguanidine from human Sigma 2 receptor by radioligand displacement assay |
ACS Med Chem Lett 11: 1028-1034 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00129
BindingDB Entry DOI: 10.7270/Q2833WKN |
More data for this
Ligand-Target Pair | |
Sigma intracellular receptor 2
(Homo sapiens (Human)) | BDBM50540828
(CHEMBL4633444)Show SMILES OC(=O)C(O)=O.OC(=O)C(O)=O.CC1(C)SCC(CN2CCN(Cc3ccccc3)CC2)S1 Show InChI InChI=1S/C17H26N2S2.2C2H2O4/c1-17(2)20-14-16(21-17)13-19-10-8-18(9-11-19)12-15-6-4-3-5-7-15;2*3-1(4)2(5)6/h3-7,16H,8-14H2,1-2H3;2*(H,3,4)(H,5,6) | UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Modena and Reggio Emilia
Curated by ChEMBL
| Assay Description
Displacement of [3H]-ditolylguanidine from human Sigma 2 receptor by radioligand displacement assay |
ACS Med Chem Lett 11: 1028-1034 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00129
BindingDB Entry DOI: 10.7270/Q2833WKN |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50469484
(CHEMBL4279881)Show SMILES Nc1cc(C(F)F)c(cn1)-c1nc(nc(n1)N1CC2CCC(C1)O2)N1CCOCC1 Show InChI InChI=1S/C19H23F2N7O2/c20-16(21)13-7-15(22)23-8-14(13)17-24-18(27-3-5-29-6-4-27)26-19(25-17)28-9-11-1-2-12(10-28)30-11/h7-8,11-12,16H,1-6,9-10H2,(H2,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Basel
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant human GST-tagged mTOR catalytic domain (1360 to 2549 residues) expressed in baculovirus after 1 hr by TR-FRET displac... |
J Med Chem 61: 10084-10105 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01262
BindingDB Entry DOI: 10.7270/Q2X92F07 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50546185
(CHEMBL4749136)Show SMILES [H][C@]12CC[C@]([H])(COC1)N2c1nc(nc(n1)-c1cnc(N)nc1C(F)F)N1CCOCC1 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of alexa fluor 647-labeled kinase tracer 314 from recombinant N-terminal His6-tagged p110alpha (unknown origin) by TR-FRET assay |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.9b00333
BindingDB Entry DOI: 10.7270/Q2VT1WPR |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50151252
(CHEMBL3770532)Show SMILES C(C1COC(O1)(C1CCCCC1)C1CCCCC1)N1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C27H42N2O2/c1-4-10-23(11-5-1)20-28-16-18-29(19-17-28)21-26-22-30-27(31-26,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1,4-5,10-11,24-26H,2-3,6-9,12-22H2 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain membranes after 150 mins by liquid scintillation counting method |
Eur J Med Chem 112: 1-19 (2016)
Article DOI: 10.1016/j.ejmech.2016.01.059
BindingDB Entry DOI: 10.7270/Q23J3FTB |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50469481
(CHEMBL4277247)Show SMILES C[C@H]1COC[C@@H](C)N1c1nc(nc(n1)-c1cnc(N)cc1C(F)F)N1[C@@H](C)COC[C@H]1C |r| Show InChI InChI=1S/C21H29F2N7O2/c1-11-7-31-8-12(2)29(11)20-26-19(16-6-25-17(24)5-15(16)18(22)23)27-21(28-20)30-13(3)9-32-10-14(30)4/h5-6,11-14,18H,7-10H2,1-4H3,(H2,24,25)/t11-,12+,13-,14+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Basel
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant human GST-tagged mTOR catalytic domain (1360 to 2549 residues) expressed in baculovirus after 1 hr by TR-FRET displac... |
J Med Chem 61: 10084-10105 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01262
BindingDB Entry DOI: 10.7270/Q2X92F07 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50559193
(CHEMBL4749352)Show SMILES C[C@@H]1COCCN1c1nc(nc(n1)-c1cnc(N)cc1C(F)F)N1[C@@H](C)COC[C@H]1C |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of alexa fluor 647-labeled kinase tracer 314 binding to recombinant human N-terminal GST-tagged mTOR (1360 to 2549 residues) expressed in ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00620
BindingDB Entry DOI: 10.7270/Q2SN0DNS |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50515209
(CHEMBL4472639)Show SMILES C[C@H]1COCCN1c1nc(nc(n1)-c1cnc(N)nc1C(F)(F)F)N1CCOCC1 |r| Show InChI InChI=1S/C17H21F3N8O2/c1-10-9-30-7-4-28(10)16-25-13(24-15(26-16)27-2-5-29-6-3-27)11-8-22-14(21)23-12(11)17(18,19)20/h8,10H,2-7,9H2,1H3,(H2,21,22,23)/t10-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Basel
Curated by ChEMBL
| Assay Description
Displacement of Alexafluor labelled kinase tracer314 from recombinant N-terminal His6-tagged PI3K p110alpha (unknown origin) incubated for 1 hr by FR... |
J Med Chem 62: 6241-6261 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00525
BindingDB Entry DOI: 10.7270/Q29G5R5G |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50515217
(CHEMBL4516236)Show SMILES C[C@H]1COCCN1c1nc(cc(n1)-c1cnc(N)nc1C(F)F)N1CCOCC1 |r| Show InChI InChI=1S/C18H23F2N7O2/c1-11-10-29-7-4-27(11)18-23-13(8-14(24-18)26-2-5-28-6-3-26)12-9-22-17(21)25-15(12)16(19)20/h8-9,11,16H,2-7,10H2,1H3,(H2,21,22,25)/t11-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Basel
Curated by ChEMBL
| Assay Description
Displacement of Alexafluor labelled kinase tracer314 from recombinant N-terminal His6-tagged PI3K p110alpha (unknown origin) incubated for 1 hr by FR... |
J Med Chem 62: 6241-6261 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00525
BindingDB Entry DOI: 10.7270/Q29G5R5G |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50540815
(CHEMBL4642427)Show SMILES OC(=O)C(O)=O.C(C1CSC2(CCCC2)S1)N1CCC(Cc2ccccc2)CC1 Show InChI InChI=1S/C20H29NS2.C2H2O4/c1-2-6-17(7-3-1)14-18-8-12-21(13-9-18)15-19-16-22-20(23-19)10-4-5-11-20;3-1(4)2(5)6/h1-3,6-7,18-19H,4-5,8-16H2;(H,3,4)(H,5,6) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Modena and Reggio Emilia
Curated by ChEMBL
| Assay Description
Displacement of [3H]-pentazocine from human Sigma 1 receptor by radioligand displacement assay |
ACS Med Chem Lett 11: 1028-1034 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00129
BindingDB Entry DOI: 10.7270/Q2833WKN |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50546186
(CHEMBL4754767)Show SMILES [H][C@]12CC[C@]([H])(CN(C1)c1nc(nc(n1)-c1cnc(N)nc1C(F)F)N1CCOCC1)O2 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of alexa fluor 647-labeled kinase tracer 314 from recombinant N-terminal His6-tagged p110alpha (unknown origin) by TR-FRET assay |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.9b00333
BindingDB Entry DOI: 10.7270/Q2VT1WPR |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50559197
(CHEMBL4741511)Show SMILES C[C@@H]1COCCN1c1nc(nc(n1)-c1cnc(N)cc1C(F)F)N1CCOCC1(C)C |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of alexa fluor 647-labeled kinase tracer 314 binding to recombinant human N-terminal GST-tagged mTOR (1360 to 2549 residues) expressed in ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00620
BindingDB Entry DOI: 10.7270/Q2SN0DNS |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50540831
(CHEMBL4639948)Show SMILES OC(=O)C(O)=O.OC(=O)C(O)=O.CC1(C)OCC(CN2CCN(Cc3ccccc3)CC2)O1 Show InChI InChI=1S/C17H26N2O2.2C2H2O4/c1-17(2)20-14-16(21-17)13-19-10-8-18(9-11-19)12-15-6-4-3-5-7-15;2*3-1(4)2(5)6/h3-7,16H,8-14H2,1-2H3;2*(H,3,4)(H,5,6) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 5.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Modena and Reggio Emilia
Curated by ChEMBL
| Assay Description
Displacement of [3H]-pentazocine from human Sigma 1 receptor by radioligand displacement assay |
ACS Med Chem Lett 11: 1028-1034 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00129
BindingDB Entry DOI: 10.7270/Q2833WKN |
More data for this
Ligand-Target Pair | |
Sigma intracellular receptor 2
(Homo sapiens (Human)) | BDBM50540830
(CHEMBL4646948)Show SMILES OC(=O)C(O)=O.CC1(C)OCC(CN2CCC(Cc3ccccc3)CC2)O1 Show InChI InChI=1S/C18H27NO2.C2H2O4/c1-18(2)20-14-17(21-18)13-19-10-8-16(9-11-19)12-15-6-4-3-5-7-15;3-1(4)2(5)6/h3-7,16-17H,8-14H2,1-2H3;(H,3,4)(H,5,6) | UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 6.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Modena and Reggio Emilia
Curated by ChEMBL
| Assay Description
Displacement of [3H]-ditolylguanidine from human Sigma 2 receptor by radioligand displacement assay |
ACS Med Chem Lett 11: 1028-1034 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00129
BindingDB Entry DOI: 10.7270/Q2833WKN |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50559194
(CHEMBL4777159)Show SMILES C[C@@H]1COCCN1c1nc(nc(n1)-c1cnc(N)cc1C(F)F)N1[C@@H](C)COC[C@@H]1C |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 6.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of alexa fluor 647-labeled kinase tracer 314 binding to recombinant human N-terminal GST-tagged mTOR (1360 to 2549 residues) expressed in ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00620
BindingDB Entry DOI: 10.7270/Q2SN0DNS |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50515203
(CHEMBL4515950)Show SMILES C[C@H]1COCCN1c1nc(nc(n1)-c1cnc(N)cc1C(F)(F)F)N1CCOC[C@@H]1C |r| Show InChI InChI=1S/C19H24F3N7O2/c1-11-9-30-5-3-28(11)17-25-16(13-8-24-15(23)7-14(13)19(20,21)22)26-18(27-17)29-4-6-31-10-12(29)2/h7-8,11-12H,3-6,9-10H2,1-2H3,(H2,23,24)/t11-,12-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 6.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Basel
Curated by ChEMBL
| Assay Description
Displacement of Alexafluor labelled kinase tracer314 from recombinant N-terminal His6-tagged PI3K p110alpha (unknown origin) incubated for 1 hr by FR... |
J Med Chem 62: 6241-6261 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00525
BindingDB Entry DOI: 10.7270/Q29G5R5G |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50469473
(CHEMBL4280087)Show SMILES Nc1cc(C(F)F)c(cn1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C17H21F2N7O2/c18-14(19)11-9-13(20)21-10-12(11)15-22-16(25-1-5-27-6-2-25)24-17(23-15)26-3-7-28-8-4-26/h9-10,14H,1-8H2,(H2,20,21) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 6.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Basel
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant human GST-tagged mTOR catalytic domain (1360 to 2549 residues) expressed in baculovirus after 1 hr by TR-FRET displac... |
J Med Chem 61: 10084-10105 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01262
BindingDB Entry DOI: 10.7270/Q2X92F07 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50151264
(CHEMBL3770589)Show SMILES O[C@H]1[C@@H](CN2CCN(Cc3ccccc3)CC2)CCC1(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C29H34N2O/c32-28-25(23-31-20-18-30(19-21-31)22-24-10-4-1-5-11-24)16-17-29(28,26-12-6-2-7-13-26)27-14-8-3-9-15-27/h1-15,25,28,32H,16-23H2/t25-,28+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Displacement of [3H]8-OH-DPAT from human 5-HT1A expressed in human HeLa cells after 30 mins |
Eur J Med Chem 112: 1-19 (2016)
Article DOI: 10.1016/j.ejmech.2016.01.059
BindingDB Entry DOI: 10.7270/Q23J3FTB |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50515201
(CHEMBL4453693)Show SMILES C[C@H]1COCCN1c1nc(nc(n1)-c1cnc(N)cc1C(F)F)N1CCOCC1 |r| Show InChI InChI=1S/C18H23F2N7O2/c1-11-10-29-7-4-27(11)18-24-16(13-9-22-14(21)8-12(13)15(19)20)23-17(25-18)26-2-5-28-6-3-26/h8-9,11,15H,2-7,10H2,1H3,(H2,21,22)/t11-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| 7.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Basel
Curated by ChEMBL
| Assay Description
Displacement of Alexafluor labelled kinase tracer314 from recombinant human C-terminal GST-tagged mTOR (1360 to 2549 amino acids) expressed in insect... |
J Med Chem 62: 6241-6261 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00525
BindingDB Entry DOI: 10.7270/Q29G5R5G |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50151263
(CHEMBL3770151)Show SMILES O[C@H]1[C@@H](CN2CCC(Cc3ccccc3)CC2)CCC1(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C30H35NO/c32-29-26(23-31-20-17-25(18-21-31)22-24-10-4-1-5-11-24)16-19-30(29,27-12-6-2-7-13-27)28-14-8-3-9-15-28/h1-15,25-26,29,32H,16-23H2/t26-,29+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Displacement of [3H]8-OH-DPAT from human 5-HT1A expressed in human HeLa cells after 30 mins |
Eur J Med Chem 112: 1-19 (2016)
Article DOI: 10.1016/j.ejmech.2016.01.059
BindingDB Entry DOI: 10.7270/Q23J3FTB |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50469476
(CHEMBL4287799)Show SMILES C[C@@H]1COCCN1c1nc(nc(n1)-c1cnc(N)cc1C(F)F)N1CCOCC1 |r| Show InChI InChI=1S/C18H23F2N7O2/c1-11-10-29-7-4-27(11)18-24-16(13-9-22-14(21)8-12(13)15(19)20)23-17(25-18)26-2-5-28-6-3-26/h8-9,11,15H,2-7,10H2,1H3,(H2,21,22)/t11-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of alexa fluor 647-labeled kinase tracer 314 binding to recombinant human N-terminal GST-tagged mTOR (1360 to 2549 residues) expressed in ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00620
BindingDB Entry DOI: 10.7270/Q2SN0DNS |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50505410
(CHEMBL4551080)Show SMILES [H][C@]12Cc3c(nc(nc3N3CCOC[C@H]3C)-c3cnc(N)cn3)N1CCOC2 |r| Show InChI InChI=1S/C18H23N7O2/c1-11-9-26-4-2-24(11)17-13-6-12-10-27-5-3-25(12)18(13)23-16(22-17)14-7-21-15(19)8-20-14/h7-8,11-12H,2-6,9-10H2,1H3,(H2,19,21)/t11-,12-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Basel
Curated by ChEMBL
| Assay Description
Inhibition of alexa fluor 647-labeled kinase tracer 314 binding to recombinant human N-terminal GST-fused mTOR (1360 to 2549 residues) expressed in b... |
J Med Chem 62: 8609-8630 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00972
BindingDB Entry DOI: 10.7270/Q2DJ5JW1 |
More data for this
Ligand-Target Pair | |
Sigma intracellular receptor 2
(Homo sapiens (Human)) | BDBM50540816
(CHEMBL4634957)Show SMILES OC(=O)C(O)=O.C(C1CSC2(CCCCCC2)S1)N1CCC(Cc2ccccc2)CC1 Show InChI InChI=1S/C22H33NS2.C2H2O4/c1-2-7-13-22(12-6-1)24-18-21(25-22)17-23-14-10-20(11-15-23)16-19-8-4-3-5-9-19;3-1(4)2(5)6/h3-5,8-9,20-21H,1-2,6-7,10-18H2;(H,3,4)(H,5,6) | UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 8.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Modena and Reggio Emilia
Curated by ChEMBL
| Assay Description
Displacement of [3H]-ditolylguanidine from human Sigma 2 receptor by radioligand displacement assay |
ACS Med Chem Lett 11: 1028-1034 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00129
BindingDB Entry DOI: 10.7270/Q2833WKN |
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)) | BDBM50240973
(CHEMBL4102855)Show SMILES Nc1ncc(-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)c(n1)C(F)(F)F Show InChI InChI=1S/C16H19F3N8O2/c17-16(18,19)11-10(9-21-13(20)22-11)12-23-14(26-1-5-28-6-2-26)25-15(24-12)27-3-7-29-8-4-27/h9H,1-8H2,(H2,20,21,22) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Basel
Curated by ChEMBL
| Assay Description
Inhibition of human N-terminal His6-tagged PI3K p110alpha/p85alpha expressed in baculovirus expression system after 1 hr using AlexaFluor647-labeled ... |
J Med Chem 60: 7524-7538 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00930
BindingDB Entry DOI: 10.7270/Q2WM1GKP |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50562004
(CHEMBL4752187)Show SMILES [H][C@]12Cc3c(nc(nc3N3CCOC[C@H]3C)-c3nnc(N)s3)N1CCOC2 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 8.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of alexa fluor 647-labeled kinase tracer 314 binding to recombinant N-terminal GST-fused mTOR (1360 to 2549 residues) (unknown origin) by ... |
Citation and Details
Article DOI: 10.1039/d0md00408a
BindingDB Entry DOI: 10.7270/Q25T3Q6Z |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50515214
(CHEMBL4457600)Show SMILES C[C@H]1COCCN1c1nc(nc(n1)-c1cnc(N)cc1C(F)(F)F)N1CCOCC1 |r| Show InChI InChI=1S/C18H22F3N7O2/c1-11-10-30-7-4-28(11)17-25-15(24-16(26-17)27-2-5-29-6-3-27)12-9-23-14(22)8-13(12)18(19,20)21/h8-9,11H,2-7,10H2,1H3,(H2,22,23)/t11-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 8.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Basel
Curated by ChEMBL
| Assay Description
Displacement of Alexafluor labelled kinase tracer314 from recombinant N-terminal His6-tagged PI3K p110alpha (unknown origin) incubated for 1 hr by FR... |
J Med Chem 62: 6241-6261 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00525
BindingDB Entry DOI: 10.7270/Q29G5R5G |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50505421
(CHEMBL4458426)Show SMILES [H][C@]12Cc3c(nc(nc3N3CCOC[C@@H]3C)-c3ccc(N)nc3)N1CCOC2 |r| Show InChI InChI=1S/C19H24N6O2/c1-12-10-26-6-4-24(12)18-15-8-14-11-27-7-5-25(14)19(15)23-17(22-18)13-2-3-16(20)21-9-13/h2-3,9,12,14H,4-8,10-11H2,1H3,(H2,20,21)/t12-,14+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 9.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Basel
Curated by ChEMBL
| Assay Description
Inhibition of alexa fluor 647-labeled kinase tracer 314 binding to recombinant human N-terminal GST-fused mTOR (1360 to 2549 residues) expressed in b... |
J Med Chem 62: 8609-8630 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00972
BindingDB Entry DOI: 10.7270/Q2DJ5JW1 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50469476
(CHEMBL4287799)Show SMILES C[C@@H]1COCCN1c1nc(nc(n1)-c1cnc(N)cc1C(F)F)N1CCOCC1 |r| Show InChI InChI=1S/C18H23F2N7O2/c1-11-10-29-7-4-27(11)18-24-16(13-9-22-14(21)8-12(13)15(19)20)23-17(25-18)26-2-5-28-6-3-26/h8-9,11,15H,2-7,10H2,1H3,(H2,21,22)/t11-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| 9.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Basel
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant human GST-tagged mTOR catalytic domain (1360 to 2549 residues) expressed in baculovirus after 1 hr by TR-FRET displac... |
J Med Chem 61: 10084-10105 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01262
BindingDB Entry DOI: 10.7270/Q2X92F07 |
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)) | BDBM50240989
(CHEMBL4081904)Show SMILES CC(=O)Nc1cc(c(cn1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1)C(F)(F)F Show InChI InChI=1S/C19H22F3N7O3/c1-12(30)24-15-10-14(19(20,21)22)13(11-23-15)16-25-17(28-2-6-31-7-3-28)27-18(26-16)29-4-8-32-9-5-29/h10-11H,2-9H2,1H3,(H,23,24,30) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 9.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Basel
Curated by ChEMBL
| Assay Description
Inhibition of human N-terminal His6-tagged PI3K p110alpha/p85alpha expressed in baculovirus expression system after 1 hr using AlexaFluor647-labeled ... |
J Med Chem 60: 7524-7538 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00930
BindingDB Entry DOI: 10.7270/Q2WM1GKP |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50515210
(CHEMBL4568077)Show SMILES C[C@H]1COCCN1c1nc(cc(n1)-c1cnc(N)cc1C(F)F)N1CCOCC1 |r| Show InChI InChI=1S/C19H24F2N6O2/c1-12-11-29-7-4-27(12)19-24-15(9-17(25-19)26-2-5-28-6-3-26)14-10-23-16(22)8-13(14)18(20)21/h8-10,12,18H,2-7,11H2,1H3,(H2,22,23)/t12-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Basel
Curated by ChEMBL
| Assay Description
Displacement of Alexafluor labelled kinase tracer314 from recombinant human C-terminal GST-tagged mTOR (1360 to 2549 amino acids) expressed in insect... |
J Med Chem 62: 6241-6261 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00525
BindingDB Entry DOI: 10.7270/Q29G5R5G |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50559196
(CHEMBL4792469)Show SMILES C[C@@H]1COCCN1c1nc(nc(n1)-c1cnc(N)cc1C(F)F)N1CCOCC11CCC1 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of alexa fluor 647-labeled kinase tracer 314 binding to recombinant human N-terminal GST-tagged mTOR (1360 to 2549 residues) expressed in ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00620
BindingDB Entry DOI: 10.7270/Q2SN0DNS |
More data for this
Ligand-Target Pair | |
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