Found 47 hits of Enzyme Inhibition Constant Data 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 |
|---|
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50384248
(CHEMBL2030451)Show SMILES CS(=O)(=O)Cc1cc(nc(n1)-c1ccc(NC(=O)Nc2ccc(F)cc2)cc1)N1CCOCC1 Show InChI InChI=1S/C23H24FN5O4S/c1-34(31,32)15-20-14-21(29-10-12-33-13-11-29)28-22(25-20)16-2-6-18(7-3-16)26-23(30)27-19-8-4-17(24)5-9-19/h2-9,14H,10-13,15H2,1H3,(H2,26,27,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant FLAG-tagged mTOR kinase expressed in HEK293 cells using Biotin-Ahx-Lys-Lys-Ala-Asn-Gln-Val-Phe-Leu-Gly-Phe-Thr-Tyr-Val-Ala-... |
Bioorg Med Chem Lett 22: 4163-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.036
BindingDB Entry DOI: 10.7270/Q2N017KD |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50384249
(CHEMBL2030450)Show SMILES CS(=O)(=O)Cc1cc(nc(NC(=O)c2ccno2)n1)N1CCOCC1 Show InChI InChI=1S/C14H17N5O5S/c1-25(21,22)9-10-8-12(19-4-6-23-7-5-19)17-14(16-10)18-13(20)11-2-3-15-24-11/h2-3,8H,4-7,9H2,1H3,(H,16,17,18,20) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant FLAG-tagged mTOR kinase expressed in HEK293 cells using Biotin-Ahx-Lys-Lys-Ala-Asn-Gln-Val-Phe-Leu-Gly-Phe-Thr-Tyr-Val-Ala-... |
Bioorg Med Chem Lett 22: 4163-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.036
BindingDB Entry DOI: 10.7270/Q2N017KD |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50384250
(CHEMBL2030448)Show SMILES CS(=O)(=O)Cc1cc(nc(n1)-c1ccc2[nH]ccc2c1)N1CC2CCC(C1)O2 Show InChI InChI=1S/C20H22N4O3S/c1-28(25,26)12-15-9-19(24-10-16-3-4-17(11-24)27-16)23-20(22-15)14-2-5-18-13(8-14)6-7-21-18/h2,5-9,16-17,21H,3-4,10-12H2,1H3 | 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 | 252 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant FLAG-tagged mTOR kinase expressed in HEK293 cells using Biotin-Ahx-Lys-Lys-Ala-Asn-Gln-Val-Phe-Leu-Gly-Phe-Thr-Tyr-Val-Ala-... |
Bioorg Med Chem Lett 22: 4163-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.036
BindingDB Entry DOI: 10.7270/Q2N017KD |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50384252
(CHEMBL2029359)Show SMILES CS(=O)(=O)Cc1cc(nc(n1)-c1cnc2[nH]ccc2c1)N1CCOCC1 Show InChI InChI=1S/C17H19N5O3S/c1-26(23,24)11-14-9-15(22-4-6-25-7-5-22)21-17(20-14)13-8-12-2-3-18-16(12)19-10-13/h2-3,8-10H,4-7,11H2,1H3,(H,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 | 262 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant FLAG-tagged mTOR kinase expressed in HEK293 cells using Biotin-Ahx-Lys-Lys-Ala-Asn-Gln-Val-Phe-Leu-Gly-Phe-Thr-Tyr-Val-Ala-... |
Bioorg Med Chem Lett 22: 4163-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.036
BindingDB Entry DOI: 10.7270/Q2N017KD |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50384253
(CHEMBL2030445)Show SMILES CS(=O)(=O)Cc1cc(nc(n1)-c1ccc2nc[nH]c2c1)N1CCOCC1 Show InChI InChI=1S/C17H19N5O3S/c1-26(23,24)10-13-9-16(22-4-6-25-7-5-22)21-17(20-13)12-2-3-14-15(8-12)19-11-18-14/h2-3,8-9,11H,4-7,10H2,1H3,(H,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 | 285 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant FLAG-tagged mTOR kinase expressed in HEK293 cells using Biotin-Ahx-Lys-Lys-Ala-Asn-Gln-Val-Phe-Leu-Gly-Phe-Thr-Tyr-Val-Ala-... |
Bioorg Med Chem Lett 22: 4163-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.036
BindingDB Entry DOI: 10.7270/Q2N017KD |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50384247
(CHEMBL2030436)Show SMILES CS(=O)(=O)Cc1cc(nc(n1)-c1ccc2[nH]ccc2c1)N1CCOCC1 Show InChI InChI=1S/C18H20N4O3S/c1-26(23,24)12-15-11-17(22-6-8-25-9-7-22)21-18(20-15)14-2-3-16-13(10-14)4-5-19-16/h2-5,10-11,19H,6-9,12H2,1H3 | 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 | 288 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant FLAG-tagged mTOR kinase expressed in HEK293 cells using Biotin-Ahx-Lys-Lys-Ala-Asn-Gln-Val-Phe-Leu-Gly-Phe-Thr-Tyr-Val-Ala-... |
Bioorg Med Chem Lett 22: 4163-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.036
BindingDB Entry DOI: 10.7270/Q2N017KD |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50384251
(CHEMBL2030446)Show SMILES C[C@H]1COCCN1c1cc(CS(C)(=O)=O)nc(n1)-c1ccc2[nH]ccc2c1 |r| Show InChI InChI=1S/C19H22N4O3S/c1-13-11-26-8-7-23(13)18-10-16(12-27(2,24)25)21-19(22-18)15-3-4-17-14(9-15)5-6-20-17/h3-6,9-10,13,20H,7-8,11-12H2,1-2H3/t13-/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
| n/a | n/a | 303 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant FLAG-tagged mTOR kinase expressed in HEK293 cells using Biotin-Ahx-Lys-Lys-Ala-Asn-Gln-Val-Phe-Leu-Gly-Phe-Thr-Tyr-Val-Ala-... |
Bioorg Med Chem Lett 22: 4163-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.036
BindingDB Entry DOI: 10.7270/Q2N017KD |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50384256
(CHEMBL2030447)Show SMILES C[C@@H]1COCCN1c1cc(CS(C)(=O)=O)nc(n1)-c1ccc2[nH]ccc2c1 |r| Show InChI InChI=1S/C19H22N4O3S/c1-13-11-26-8-7-23(13)18-10-16(12-27(2,24)25)21-19(22-18)15-3-4-17-14(9-15)5-6-20-17/h3-6,9-10,13,20H,7-8,11-12H2,1-2H3/t13-/m1/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
| n/a | n/a | 385 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant FLAG-tagged mTOR kinase expressed in HEK293 cells using Biotin-Ahx-Lys-Lys-Ala-Asn-Gln-Val-Phe-Leu-Gly-Phe-Thr-Tyr-Val-Ala-... |
Bioorg Med Chem Lett 22: 4163-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.036
BindingDB Entry DOI: 10.7270/Q2N017KD |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50384248
(CHEMBL2030451)Show SMILES CS(=O)(=O)Cc1cc(nc(n1)-c1ccc(NC(=O)Nc2ccc(F)cc2)cc1)N1CCOCC1 Show InChI InChI=1S/C23H24FN5O4S/c1-34(31,32)15-20-14-21(29-10-12-33-13-11-29)28-22(25-20)16-2-6-18(7-3-16)26-23(30)27-19-8-4-17(24)5-9-19/h2-9,14H,10-13,15H2,1H3,(H2,26,27,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 565 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PI3Kalpha expressed in baculovirus system using PI(4,5)P2 as substrate after 20 mins |
Bioorg Med Chem Lett 22: 4163-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.036
BindingDB Entry DOI: 10.7270/Q2N017KD |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50384258
(CHEMBL2030443)Show SMILES CS(=O)(=O)Cc1cc(nc(n1)-c1cccc(CO)c1)N1CCOCC1 Show InChI InChI=1S/C17H21N3O4S/c1-25(22,23)12-15-10-16(20-5-7-24-8-6-20)19-17(18-15)14-4-2-3-13(9-14)11-21/h2-4,9-10,21H,5-8,11-12H2,1H3 | 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 | 601 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant FLAG-tagged mTOR kinase expressed in HEK293 cells using Biotin-Ahx-Lys-Lys-Ala-Asn-Gln-Val-Phe-Leu-Gly-Phe-Thr-Tyr-Val-Ala-... |
Bioorg Med Chem Lett 22: 4163-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.036
BindingDB Entry DOI: 10.7270/Q2N017KD |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50384252
(CHEMBL2029359)Show SMILES CS(=O)(=O)Cc1cc(nc(n1)-c1cnc2[nH]ccc2c1)N1CCOCC1 Show InChI InChI=1S/C17H19N5O3S/c1-26(23,24)11-14-9-15(22-4-6-25-7-5-22)21-17(20-14)13-8-12-2-3-18-16(12)19-10-13/h2-3,8-10H,4-7,11H2,1H3,(H,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 | 980 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PI3Kalpha expressed in baculovirus system using PI(4,5)P2 as substrate after 20 mins |
Bioorg Med Chem Lett 22: 4163-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.036
BindingDB Entry DOI: 10.7270/Q2N017KD |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50384253
(CHEMBL2030445)Show SMILES CS(=O)(=O)Cc1cc(nc(n1)-c1ccc2nc[nH]c2c1)N1CCOCC1 Show InChI InChI=1S/C17H19N5O3S/c1-26(23,24)10-13-9-16(22-4-6-25-7-5-22)21-17(20-13)12-2-3-14-15(8-12)19-11-18-14/h2-3,8-9,11H,4-7,10H2,1H3,(H,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 | 1.06E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PI3Kalpha expressed in baculovirus system using PI(4,5)P2 as substrate after 20 mins |
Bioorg Med Chem Lett 22: 4163-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.036
BindingDB Entry DOI: 10.7270/Q2N017KD |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50384261
(CHEMBL2030439)Show SMILES Fc1ccc(cc1)S(=O)(=O)Cc1cc(nc(n1)-c1ccccn1)N1CCOCC1 Show InChI InChI=1S/C20H19FN4O3S/c21-15-4-6-17(7-5-15)29(26,27)14-16-13-19(25-9-11-28-12-10-25)24-20(23-16)18-3-1-2-8-22-18/h1-8,13H,9-12,14H2 | 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 | 1.38E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant FLAG-tagged mTOR kinase expressed in HEK293 cells using Biotin-Ahx-Lys-Lys-Ala-Asn-Gln-Val-Phe-Leu-Gly-Phe-Thr-Tyr-Val-Ala-... |
Bioorg Med Chem Lett 22: 4163-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.036
BindingDB Entry DOI: 10.7270/Q2N017KD |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50384255
(CHEMBL1312643)Show SMILES O=S(=O)(Cc1cc(nc(n1)-c1ccccn1)N1CCOCC1)c1ccccc1 Show InChI InChI=1S/C20H20N4O3S/c25-28(26,17-6-2-1-3-7-17)15-16-14-19(24-10-12-27-13-11-24)23-20(22-16)18-8-4-5-9-21-18/h1-9,14H,10-13,15H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.41E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant FLAG-tagged mTOR kinase expressed in HEK293 cells using Biotin-Ahx-Lys-Lys-Ala-Asn-Gln-Val-Phe-Leu-Gly-Phe-Thr-Tyr-Val-Ala-... |
Bioorg Med Chem Lett 22: 4163-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.036
BindingDB Entry DOI: 10.7270/Q2N017KD |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50384254
(CHEMBL2030442)Show SMILES CS(=O)(=O)Cc1cc(nc(n1)-c1cccc2[nH]ccc12)N1CCOCC1 Show InChI InChI=1S/C18H20N4O3S/c1-26(23,24)12-13-11-17(22-7-9-25-10-8-22)21-18(20-13)15-3-2-4-16-14(15)5-6-19-16/h2-6,11,19H,7-10,12H2,1H3 | 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 | 1.46E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant FLAG-tagged mTOR kinase expressed in HEK293 cells using Biotin-Ahx-Lys-Lys-Ala-Asn-Gln-Val-Phe-Leu-Gly-Phe-Thr-Tyr-Val-Ala-... |
Bioorg Med Chem Lett 22: 4163-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.036
BindingDB Entry DOI: 10.7270/Q2N017KD |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50384260
(CHEMBL2030438)Show SMILES CC(C)S(=O)(=O)Cc1cc(nc(n1)-c1ccccn1)N1CCOCC1 Show InChI InChI=1S/C17H22N4O3S/c1-13(2)25(22,23)12-14-11-16(21-7-9-24-10-8-21)20-17(19-14)15-5-3-4-6-18-15/h3-6,11,13H,7-10,12H2,1-2H3 | 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 | 1.54E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant FLAG-tagged mTOR kinase expressed in HEK293 cells using Biotin-Ahx-Lys-Lys-Ala-Asn-Gln-Val-Phe-Leu-Gly-Phe-Thr-Tyr-Val-Ala-... |
Bioorg Med Chem Lett 22: 4163-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.036
BindingDB Entry DOI: 10.7270/Q2N017KD |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50384258
(CHEMBL2030443)Show SMILES CS(=O)(=O)Cc1cc(nc(n1)-c1cccc(CO)c1)N1CCOCC1 Show InChI InChI=1S/C17H21N3O4S/c1-25(22,23)12-15-10-16(20-5-7-24-8-6-20)19-17(18-15)14-4-2-3-13(9-14)11-21/h2-4,9-10,21H,5-8,11-12H2,1H3 | 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 | 2.05E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PI3Kalpha expressed in baculovirus system using PI(4,5)P2 as substrate after 20 mins |
Bioorg Med Chem Lett 22: 4163-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.036
BindingDB Entry DOI: 10.7270/Q2N017KD |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50384245
(CHEMBL2030449)Show SMILES CS(=O)(=O)Cc1cc(nc(n1)-c1ccc(NS(C)(=O)=O)cc1)N1CCOCC1 Show InChI InChI=1S/C17H22N4O5S2/c1-27(22,23)12-15-11-16(21-7-9-26-10-8-21)19-17(18-15)13-3-5-14(6-4-13)20-28(2,24)25/h3-6,11,20H,7-10,12H2,1-2H3 | 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 | 2.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant FLAG-tagged mTOR kinase expressed in HEK293 cells using Biotin-Ahx-Lys-Lys-Ala-Asn-Gln-Val-Phe-Leu-Gly-Phe-Thr-Tyr-Val-Ala-... |
Bioorg Med Chem Lett 22: 4163-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.036
BindingDB Entry DOI: 10.7270/Q2N017KD |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50384259
(CHEMBL2030437)Show SMILES O=S(=O)(CCc1cnccn1)Cc1cc(nc(n1)-c1ccccn1)N1CCOCC1 Show InChI InChI=1S/C20H22N6O3S/c27-30(28,12-4-16-14-21-6-7-22-16)15-17-13-19(26-8-10-29-11-9-26)25-20(24-17)18-3-1-2-5-23-18/h1-3,5-7,13-14H,4,8-12,15H2 | 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 | 3.16E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant FLAG-tagged mTOR kinase expressed in HEK293 cells using Biotin-Ahx-Lys-Lys-Ala-Asn-Gln-Val-Phe-Leu-Gly-Phe-Thr-Tyr-Val-Ala-... |
Bioorg Med Chem Lett 22: 4163-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.036
BindingDB Entry DOI: 10.7270/Q2N017KD |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50384262
(CHEMBL2030440)Show InChI InChI=1S/C16H19N3O3S/c1-23(20,21)12-14-11-15(19-7-9-22-10-8-19)18-16(17-14)13-5-3-2-4-6-13/h2-6,11H,7-10,12H2,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant FLAG-tagged mTOR kinase expressed in HEK293 cells using Biotin-Ahx-Lys-Lys-Ala-Asn-Gln-Val-Phe-Leu-Gly-Phe-Thr-Tyr-Val-Ala-... |
Bioorg Med Chem Lett 22: 4163-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.036
BindingDB Entry DOI: 10.7270/Q2N017KD |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50384247
(CHEMBL2030436)Show SMILES CS(=O)(=O)Cc1cc(nc(n1)-c1ccc2[nH]ccc2c1)N1CCOCC1 Show InChI InChI=1S/C18H20N4O3S/c1-26(23,24)12-15-11-17(22-6-8-25-9-7-22)21-18(20-15)14-2-3-16-13(10-14)4-5-19-16/h2-5,10-11,19H,6-9,12H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
Bioorg Med Chem Lett 22: 4163-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.036
BindingDB Entry DOI: 10.7270/Q2N017KD |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50384256
(CHEMBL2030447)Show SMILES C[C@@H]1COCCN1c1cc(CS(C)(=O)=O)nc(n1)-c1ccc2[nH]ccc2c1 |r| Show InChI InChI=1S/C19H22N4O3S/c1-13-11-26-8-7-23(13)18-10-16(12-27(2,24)25)21-19(22-18)15-3-4-17-14(9-15)5-6-20-17/h3-6,9-10,13,20H,7-8,11-12H2,1-2H3/t13-/m1/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
| n/a | n/a | 5.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PI3Kalpha expressed in baculovirus system using PI(4,5)P2 as substrate after 20 mins |
Bioorg Med Chem Lett 22: 4163-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.036
BindingDB Entry DOI: 10.7270/Q2N017KD |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50384261
(CHEMBL2030439)Show SMILES Fc1ccc(cc1)S(=O)(=O)Cc1cc(nc(n1)-c1ccccn1)N1CCOCC1 Show InChI InChI=1S/C20H19FN4O3S/c21-15-4-6-17(7-5-15)29(26,27)14-16-13-19(25-9-11-28-12-10-25)24-20(23-16)18-3-1-2-8-22-18/h1-8,13H,9-12,14H2 | 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 | 7.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PI3Kalpha expressed in baculovirus system using PI(4,5)P2 as substrate after 20 mins |
Bioorg Med Chem Lett 22: 4163-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.036
BindingDB Entry DOI: 10.7270/Q2N017KD |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50384254
(CHEMBL2030442)Show SMILES CS(=O)(=O)Cc1cc(nc(n1)-c1cccc2[nH]ccc12)N1CCOCC1 Show InChI InChI=1S/C18H20N4O3S/c1-26(23,24)12-13-11-17(22-7-9-25-10-8-22)21-18(20-13)15-3-2-4-16-14(15)5-6-19-16/h2-6,11,19H,7-10,12H2,1H3 | 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 | 1.43E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PI3Kalpha expressed in baculovirus system using PI(4,5)P2 as substrate after 20 mins |
Bioorg Med Chem Lett 22: 4163-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.036
BindingDB Entry DOI: 10.7270/Q2N017KD |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50384255
(CHEMBL1312643)Show SMILES O=S(=O)(Cc1cc(nc(n1)-c1ccccn1)N1CCOCC1)c1ccccc1 Show InChI InChI=1S/C20H20N4O3S/c25-28(26,17-6-2-1-3-7-17)15-16-14-19(24-10-12-27-13-11-24)23-20(22-16)18-8-4-5-9-21-18/h1-9,14H,10-13,15H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.73E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PI3Kalpha expressed in baculovirus system using PI(4,5)P2 as substrate after 20 mins |
Bioorg Med Chem Lett 22: 4163-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.036
BindingDB Entry DOI: 10.7270/Q2N017KD |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50384257
(CHEMBL2030444)Show SMILES COCc1cccc(c1)-c1nc(CS(C)(=O)=O)cc(n1)N1CCOCC1 Show InChI InChI=1S/C18H23N3O4S/c1-24-12-14-4-3-5-15(10-14)18-19-16(13-26(2,22)23)11-17(20-18)21-6-8-25-9-7-21/h3-5,10-11H,6-9,12-13H2,1-2H3 | 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 | 2.25E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant FLAG-tagged mTOR kinase expressed in HEK293 cells using Biotin-Ahx-Lys-Lys-Ala-Asn-Gln-Val-Phe-Leu-Gly-Phe-Thr-Tyr-Val-Ala-... |
Bioorg Med Chem Lett 22: 4163-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.036
BindingDB Entry DOI: 10.7270/Q2N017KD |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50384251
(CHEMBL2030446)Show SMILES C[C@H]1COCCN1c1cc(CS(C)(=O)=O)nc(n1)-c1ccc2[nH]ccc2c1 |r| Show InChI InChI=1S/C19H22N4O3S/c1-13-11-26-8-7-23(13)18-10-16(12-27(2,24)25)21-19(22-18)15-3-4-17-14(9-15)5-6-20-17/h3-6,9-10,13,20H,7-8,11-12H2,1-2H3/t13-/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
| n/a | n/a | 2.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PI3Kalpha expressed in baculovirus system using PI(4,5)P2 as substrate after 20 mins |
Bioorg Med Chem Lett 22: 4163-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.036
BindingDB Entry DOI: 10.7270/Q2N017KD |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50384246
(CHEMBL2030441)Show SMILES Cn1ccc2cc(ccc12)-c1nc(CS(C)(=O)=O)cc(n1)N1CCOCC1 Show InChI InChI=1S/C19H22N4O3S/c1-22-6-5-14-11-15(3-4-17(14)22)19-20-16(13-27(2,24)25)12-18(21-19)23-7-9-26-10-8-23/h3-6,11-12H,7-10,13H2,1-2H3 | 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 | >2.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PI3Kalpha expressed in baculovirus system using PI(4,5)P2 as substrate after 20 mins |
Bioorg Med Chem Lett 22: 4163-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.036
BindingDB Entry DOI: 10.7270/Q2N017KD |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50384247
(CHEMBL2030436)Show SMILES CS(=O)(=O)Cc1cc(nc(n1)-c1ccc2[nH]ccc2c1)N1CCOCC1 Show InChI InChI=1S/C18H20N4O3S/c1-26(23,24)12-15-11-17(22-6-8-25-9-7-22)21-18(20-15)14-2-3-16-13(10-14)4-5-19-16/h2-5,10-11,19H,6-9,12H2,1H3 | 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 | 2.63E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PI3Kalpha expressed in baculovirus system using PI(4,5)P2 as substrate after 20 mins |
Bioorg Med Chem Lett 22: 4163-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.036
BindingDB Entry DOI: 10.7270/Q2N017KD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50384245
(CHEMBL2030449)Show SMILES CS(=O)(=O)Cc1cc(nc(n1)-c1ccc(NS(C)(=O)=O)cc1)N1CCOCC1 Show InChI InChI=1S/C17H22N4O5S2/c1-27(22,23)12-15-11-16(21-7-9-26-10-8-21)19-17(18-15)13-3-5-14(6-4-13)20-28(2,24)25/h3-6,11,20H,7-10,12H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by whole cell assay |
Bioorg Med Chem Lett 22: 4163-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.036
BindingDB Entry DOI: 10.7270/Q2N017KD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50384253
(CHEMBL2030445)Show SMILES CS(=O)(=O)Cc1cc(nc(n1)-c1ccc2nc[nH]c2c1)N1CCOCC1 Show InChI InChI=1S/C17H19N5O3S/c1-26(23,24)10-13-9-16(22-4-6-25-7-5-22)21-17(20-13)12-2-3-14-15(8-12)19-11-18-14/h2-3,8-9,11H,4-7,10H2,1H3,(H,18,19) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by whole cell assay |
Bioorg Med Chem Lett 22: 4163-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.036
BindingDB Entry DOI: 10.7270/Q2N017KD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50384250
(CHEMBL2030448)Show SMILES CS(=O)(=O)Cc1cc(nc(n1)-c1ccc2[nH]ccc2c1)N1CC2CCC(C1)O2 Show InChI InChI=1S/C20H22N4O3S/c1-28(25,26)12-15-9-19(24-10-16-3-4-17(11-24)27-16)23-20(22-15)14-2-5-18-13(8-14)6-7-21-18/h2,5-9,16-17,21H,3-4,10-12H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by whole cell assay |
Bioorg Med Chem Lett 22: 4163-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.036
BindingDB Entry DOI: 10.7270/Q2N017KD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50384251
(CHEMBL2030446)Show SMILES C[C@H]1COCCN1c1cc(CS(C)(=O)=O)nc(n1)-c1ccc2[nH]ccc2c1 |r| Show InChI InChI=1S/C19H22N4O3S/c1-13-11-26-8-7-23(13)18-10-16(12-27(2,24)25)21-19(22-18)15-3-4-17-14(9-15)5-6-20-17/h3-6,9-10,13,20H,7-8,11-12H2,1-2H3/t13-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by whole cell assay |
Bioorg Med Chem Lett 22: 4163-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.036
BindingDB Entry DOI: 10.7270/Q2N017KD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50384252
(CHEMBL2029359)Show SMILES CS(=O)(=O)Cc1cc(nc(n1)-c1cnc2[nH]ccc2c1)N1CCOCC1 Show InChI InChI=1S/C17H19N5O3S/c1-26(23,24)11-14-9-15(22-4-6-25-7-5-22)21-17(20-14)13-8-12-2-3-18-16(12)19-10-13/h2-3,8-10H,4-7,11H2,1H3,(H,18,19) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by whole cell assay |
Bioorg Med Chem Lett 22: 4163-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.036
BindingDB Entry DOI: 10.7270/Q2N017KD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50384255
(CHEMBL1312643)Show SMILES O=S(=O)(Cc1cc(nc(n1)-c1ccccn1)N1CCOCC1)c1ccccc1 Show InChI InChI=1S/C20H20N4O3S/c25-28(26,17-6-2-1-3-7-17)15-16-14-19(24-10-12-27-13-11-24)23-20(22-16)18-8-4-5-9-21-18/h1-9,14H,10-13,15H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by whole cell assay |
Bioorg Med Chem Lett 22: 4163-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.036
BindingDB Entry DOI: 10.7270/Q2N017KD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50384247
(CHEMBL2030436)Show SMILES CS(=O)(=O)Cc1cc(nc(n1)-c1ccc2[nH]ccc2c1)N1CCOCC1 Show InChI InChI=1S/C18H20N4O3S/c1-26(23,24)12-15-11-17(22-6-8-25-9-7-22)21-18(20-15)14-2-3-16-13(10-14)4-5-19-16/h2-5,10-11,19H,6-9,12H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by whole cell assay |
Bioorg Med Chem Lett 22: 4163-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.036
BindingDB Entry DOI: 10.7270/Q2N017KD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50384249
(CHEMBL2030450)Show SMILES CS(=O)(=O)Cc1cc(nc(NC(=O)c2ccno2)n1)N1CCOCC1 Show InChI InChI=1S/C14H17N5O5S/c1-25(21,22)9-10-8-12(19-4-6-23-7-5-19)17-14(16-10)18-13(20)11-2-3-15-24-11/h2-3,8H,4-7,9H2,1H3,(H,16,17,18,20) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by whole cell assay |
Bioorg Med Chem Lett 22: 4163-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.036
BindingDB Entry DOI: 10.7270/Q2N017KD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50384254
(CHEMBL2030442)Show SMILES CS(=O)(=O)Cc1cc(nc(n1)-c1cccc2[nH]ccc12)N1CCOCC1 Show InChI InChI=1S/C18H20N4O3S/c1-26(23,24)12-13-11-17(22-7-9-25-10-8-22)21-18(20-13)15-3-2-4-16-14(15)5-6-19-16/h2-6,11,19H,7-10,12H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by whole cell assay |
Bioorg Med Chem Lett 22: 4163-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.036
BindingDB Entry DOI: 10.7270/Q2N017KD |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50384260
(CHEMBL2030438)Show SMILES CC(C)S(=O)(=O)Cc1cc(nc(n1)-c1ccccn1)N1CCOCC1 Show InChI InChI=1S/C17H22N4O3S/c1-13(2)25(22,23)12-14-11-16(21-7-9-24-10-8-21)20-17(19-14)15-5-3-4-6-18-15/h3-6,11,13H,7-10,12H2,1-2H3 | 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 | 3.67E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PI3Kalpha expressed in baculovirus system using PI(4,5)P2 as substrate after 20 mins |
Bioorg Med Chem Lett 22: 4163-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.036
BindingDB Entry DOI: 10.7270/Q2N017KD |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50384250
(CHEMBL2030448)Show SMILES CS(=O)(=O)Cc1cc(nc(n1)-c1ccc2[nH]ccc2c1)N1CC2CCC(C1)O2 Show InChI InChI=1S/C20H22N4O3S/c1-28(25,26)12-15-9-19(24-10-16-3-4-17(11-24)27-16)23-20(22-15)14-2-5-18-13(8-14)6-7-21-18/h2,5-9,16-17,21H,3-4,10-12H2,1H3 | 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 | >4.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PI3Kalpha expressed in baculovirus system using PI(4,5)P2 as substrate after 20 mins |
Bioorg Med Chem Lett 22: 4163-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.036
BindingDB Entry DOI: 10.7270/Q2N017KD |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50384259
(CHEMBL2030437)Show SMILES O=S(=O)(CCc1cnccn1)Cc1cc(nc(n1)-c1ccccn1)N1CCOCC1 Show InChI InChI=1S/C20H22N6O3S/c27-30(28,12-4-16-14-21-6-7-22-16)15-17-13-19(26-8-10-29-11-9-26)25-20(24-17)18-3-1-2-5-23-18/h1-3,5-7,13-14H,4,8-12,15H2 | 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 | >9.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PI3Kalpha expressed in baculovirus system using PI(4,5)P2 as substrate after 20 mins |
Bioorg Med Chem Lett 22: 4163-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.036
BindingDB Entry DOI: 10.7270/Q2N017KD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50384248
(CHEMBL2030451)Show SMILES CS(=O)(=O)Cc1cc(nc(n1)-c1ccc(NC(=O)Nc2ccc(F)cc2)cc1)N1CCOCC1 Show InChI InChI=1S/C23H24FN5O4S/c1-34(31,32)15-20-14-21(29-10-12-33-13-11-29)28-22(25-20)16-2-6-18(7-3-16)26-23(30)27-19-8-4-17(24)5-9-19/h2-9,14H,10-13,15H2,1H3,(H2,26,27,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by whole cell assay |
Bioorg Med Chem Lett 22: 4163-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.036
BindingDB Entry DOI: 10.7270/Q2N017KD |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50384245
(CHEMBL2030449)Show SMILES CS(=O)(=O)Cc1cc(nc(n1)-c1ccc(NS(C)(=O)=O)cc1)N1CCOCC1 Show InChI InChI=1S/C17H22N4O5S2/c1-27(22,23)12-15-11-16(21-7-9-26-10-8-21)19-17(18-15)13-3-5-14(6-4-13)20-28(2,24)25/h3-6,11,20H,7-10,12H2,1-2H3 | 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 | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PI3Kalpha expressed in baculovirus system using PI(4,5)P2 as substrate after 20 mins |
Bioorg Med Chem Lett 22: 4163-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.036
BindingDB Entry DOI: 10.7270/Q2N017KD |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50384246
(CHEMBL2030441)Show SMILES Cn1ccc2cc(ccc12)-c1nc(CS(C)(=O)=O)cc(n1)N1CCOCC1 Show InChI InChI=1S/C19H22N4O3S/c1-22-6-5-14-11-15(3-4-17(14)22)19-20-16(13-27(2,24)25)12-18(21-19)23-7-9-26-10-8-23/h3-6,11-12H,7-10,13H2,1-2H3 | 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 | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant FLAG-tagged mTOR kinase expressed in HEK293 cells using Biotin-Ahx-Lys-Lys-Ala-Asn-Gln-Val-Phe-Leu-Gly-Phe-Thr-Tyr-Val-Ala-... |
Bioorg Med Chem Lett 22: 4163-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.036
BindingDB Entry DOI: 10.7270/Q2N017KD |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50384249
(CHEMBL2030450)Show SMILES CS(=O)(=O)Cc1cc(nc(NC(=O)c2ccno2)n1)N1CCOCC1 Show InChI InChI=1S/C14H17N5O5S/c1-25(21,22)9-10-8-12(19-4-6-23-7-5-19)17-14(16-10)18-13(20)11-2-3-15-24-11/h2-3,8H,4-7,9H2,1H3,(H,16,17,18,20) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PI3Kalpha expressed in baculovirus system using PI(4,5)P2 as substrate after 20 mins |
Bioorg Med Chem Lett 22: 4163-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.036
BindingDB Entry DOI: 10.7270/Q2N017KD |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50384257
(CHEMBL2030444)Show SMILES COCc1cccc(c1)-c1nc(CS(C)(=O)=O)cc(n1)N1CCOCC1 Show InChI InChI=1S/C18H23N3O4S/c1-24-12-14-4-3-5-15(10-14)18-19-16(13-26(2,22)23)11-17(20-18)21-6-8-25-9-7-21/h3-5,10-11H,6-9,12-13H2,1-2H3 | 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 | >3.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PI3Kalpha expressed in baculovirus system using PI(4,5)P2 as substrate after 20 mins |
Bioorg Med Chem Lett 22: 4163-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.036
BindingDB Entry DOI: 10.7270/Q2N017KD |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50384262
(CHEMBL2030440)Show InChI InChI=1S/C16H19N3O3S/c1-23(20,21)12-14-11-15(19-7-9-22-10-8-19)18-16(17-14)13-5-3-2-4-6-13/h2-6,11H,7-10,12H2,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PI3Kalpha expressed in baculovirus system using PI(4,5)P2 as substrate after 20 mins |
Bioorg Med Chem Lett 22: 4163-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.036
BindingDB Entry DOI: 10.7270/Q2N017KD |
More data for this
Ligand-Target Pair | |
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