Found 400 hits with Last Name = 'shuttleworth' and Initial = 'sj' 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)) | BDBM25028
(4-[2-(1H-indazol-4-yl)-6-[(4-methanesulfonylpipera...)Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1 Show InChI InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 580 | -35.6 | n/a | n/a | n/a | n/a | n/a | 7.5 | 25 |
Piramed Pharma
| Assay Description
Mammalian target of rapamycin (mTOR) was assayed by monitoring phosphorylation of GFP-4EBP using a homogeneous time-resolved fluorescence resonance e... |
J Med Chem 51: 5522-32 (2008)
Article DOI: 10.1021/jm800295d
BindingDB Entry DOI: 10.7270/Q2222S23 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM310701
(US10150763, Example A)Show InChI InChI=1S/C15H21N5O2S/c1-12-17-15(23-19-12)20(13-8-5-6-10-16-13)11-7-3-2-4-9-14(21)18-22/h5-6,8,10,22H,2-4,7,9,11H2,1H3,(H,18,21) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1.76 | n/a | n/a | n/a | n/a | n/a | n/a |
Karus Therapeutics Limited
US Patent
| Assay Description
The assay is described in WO2008/062201. |
US Patent US10150763 (2018)
BindingDB Entry DOI: 10.7270/Q2C82CC1 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM124206
(US8748458, 14)Show InChI InChI=1S/C21H24N4O2/c26-21(24-27)12-3-1-2-8-14-25(19-11-6-7-13-22-19)20-15-17-9-4-5-10-18(17)16-23-20/h4-7,9-11,13,15-16,27H,1-3,8,12,14H2,(H,24,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | 37 |
Karus Therapeutics Limited
US Patent
| Assay Description
In vitro HDAC assays were performed using a HDAC fluorescent activity assay kit (Biomol, UK) according to the manufacturer's instructions. Compounds ... |
US Patent US8748458 (2014)
BindingDB Entry DOI: 10.7270/Q22N50Z7 |
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)) | BDBM25028
(4-[2-(1H-indazol-4-yl)-6-[(4-methanesulfonylpipera...)Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1 Show InChI InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | 7.5 | 22 |
Piramed Pharma
| Assay Description
Test compounds were added to reaction buffer containing yttrium silicate (Ysi) polylysine SPA beads (Amersham), and the enzyme was added to the assay... |
J Med Chem 51: 5522-32 (2008)
Article DOI: 10.1021/jm800295d
BindingDB Entry DOI: 10.7270/Q2222S23 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform [E545K]
(Homo sapiens (Human)) | BDBM25028
(4-[2-(1H-indazol-4-yl)-6-[(4-methanesulfonylpipera...)Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1 Show InChI InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | 7.5 | 22 |
Piramed Pharma
| Assay Description
Test compounds were added to reaction buffer containing yttrium silicate (Ysi) polylysine SPA beads (Amersham), and the enzyme was added to the assay... |
J Med Chem 51: 5522-32 (2008)
Article DOI: 10.1021/jm800295d
BindingDB Entry DOI: 10.7270/Q2222S23 |
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)) | BDBM25021
(3-{6-[(dimethylamino)methyl]-4-(morpholin-4-yl)thi...)Show SMILES CN(C)Cc1cc2nc(nc(N3CCOCC3)c2s1)-c1cccc(O)c1 Show InChI InChI=1S/C19H22N4O2S/c1-22(2)12-15-11-16-17(26-15)19(23-6-8-25-9-7-23)21-18(20-16)13-4-3-5-14(24)10-13/h3-5,10-11,24H,6-9,12H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | 7.5 | 22 |
Piramed Pharma
| Assay Description
Test compounds were added to reaction buffer containing yttrium silicate (Ysi) polylysine SPA beads (Amersham), and the enzyme was added to the assay... |
J Med Chem 51: 5522-32 (2008)
Article DOI: 10.1021/jm800295d
BindingDB Entry DOI: 10.7270/Q2222S23 |
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)) | BDBM25028
(4-[2-(1H-indazol-4-yl)-6-[(4-methanesulfonylpipera...)Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1 Show InChI InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | 7.5 | 22 |
Piramed Pharma
| Assay Description
Test compounds were added to reaction buffer containing yttrium silicate (Ysi) polylysine SPA beads (Amersham), and the enzyme was added to the assay... |
J Med Chem 51: 5522-32 (2008)
Article DOI: 10.1021/jm800295d
BindingDB Entry DOI: 10.7270/Q2222S23 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform [H1047R]
(Homo sapiens (Human)) | BDBM25028
(4-[2-(1H-indazol-4-yl)-6-[(4-methanesulfonylpipera...)Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1 Show InChI InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | 7.5 | 22 |
Piramed Pharma
| Assay Description
Test compounds were added to reaction buffer containing yttrium silicate (Ysi) polylysine SPA beads (Amersham), and the enzyme was added to the assay... |
J Med Chem 51: 5522-32 (2008)
Article DOI: 10.1021/jm800295d
BindingDB Entry DOI: 10.7270/Q2222S23 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM124207
(US8748458, 15)Show SMILES ONC(=O)CCCCCCN(c1ccccn1)c1cc(OCc2ccccc2)ccn1 Show InChI InChI=1S/C24H28N4O3/c29-24(27-30)13-6-1-2-9-17-28(22-12-7-8-15-25-22)23-18-21(14-16-26-23)31-19-20-10-4-3-5-11-20/h3-5,7-8,10-12,14-16,18,30H,1-2,6,9,13,17,19H2,(H,27,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | 37 |
Karus Therapeutics Limited
US Patent
| Assay Description
In vitro HDAC assays were performed using a HDAC fluorescent activity assay kit (Biomol, UK) according to the manufacturer's instructions. Compounds ... |
US Patent US8748458 (2014)
BindingDB Entry DOI: 10.7270/Q22N50Z7 |
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)) | BDBM25022
(3-(6-{[(2-methoxyethyl)(methyl)amino]methyl}-4-(mo...)Show SMILES COCCN(C)Cc1cc2nc(nc(N3CCOCC3)c2s1)-c1cccc(O)c1 Show InChI InChI=1S/C21H26N4O3S/c1-24(6-9-27-2)14-17-13-18-19(29-17)21(25-7-10-28-11-8-25)23-20(22-18)15-4-3-5-16(26)12-15/h3-5,12-13,26H,6-11,14H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | 7.5 | 22 |
Piramed Pharma
| Assay Description
Test compounds were added to reaction buffer containing yttrium silicate (Ysi) polylysine SPA beads (Amersham), and the enzyme was added to the assay... |
J Med Chem 51: 5522-32 (2008)
Article DOI: 10.1021/jm800295d
BindingDB Entry DOI: 10.7270/Q2222S23 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM291359
((E)-3-[2-(1H-Indol-4-yl)-4-morpholin-4-yl-pyrido[3...)Show SMILES CN(C)C(=O)\C=C\c1cnc2oc3c(nc(nc3c2c1)-c1cccc2[nH]ccc12)N1CCOCC1 Show InChI InChI=1S/C26H24N6O3/c1-31(2)21(33)7-6-16-14-19-22-23(35-26(19)28-15-16)25(32-10-12-34-13-11-32)30-24(29-22)18-4-3-5-20-17(18)8-9-27-20/h3-9,14-15,27H,10-13H2,1-2H3/b7-6+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Karus Therapeutics Limited
US Patent
| Assay Description
PI3K Isoform using biochemical assay. |
US Patent US9580442 (2017)
BindingDB Entry DOI: 10.7270/Q2J38VM2 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM291359
((E)-3-[2-(1H-Indol-4-yl)-4-morpholin-4-yl-pyrido[3...)Show SMILES CN(C)C(=O)\C=C\c1cnc2oc3c(nc(nc3c2c1)-c1cccc2[nH]ccc12)N1CCOCC1 Show InChI InChI=1S/C26H24N6O3/c1-31(2)21(33)7-6-16-14-19-22-23(35-26(19)28-15-16)25(32-10-12-34-13-11-32)30-24(29-22)18-4-3-5-20-17(18)8-9-27-20/h3-9,14-15,27H,10-13H2,1-2H3/b7-6+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Lek Pharmaceuticals d.d.
| Assay Description
Please see article |
J Med Chem 51: 7486-94 (2008)
BindingDB Entry DOI: 10.7270/Q21V5H9P |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM291360
(US9580442, Example H | US9938290, H | [2-(1H-Indol...)Show SMILES CN(C)Cc1cnc2oc3c(nc(nc3c2c1)-c1cccc2[nH]ccc12)N1CCOCC1 Show InChI InChI=1S/C24H24N6O2/c1-29(2)14-15-12-18-20-21(32-24(18)26-13-15)23(30-8-10-31-11-9-30)28-22(27-20)17-4-3-5-19-16(17)6-7-25-19/h3-7,12-13,25H,8-11,14H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Lek Pharmaceuticals d.d.
| Assay Description
Please see article |
J Med Chem 51: 7486-94 (2008)
BindingDB Entry DOI: 10.7270/Q21V5H9P |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM291358
((E)-1-(4-Methyl-piperazin-1-yl)-3-[4-morpholin-4-y...)Show SMILES CN1CCN(CC1)C(=O)\C=C\c1cnc2oc3c(nc(nc3c2c1)-c1cccc2[nH]ccc12)N1CCOCC1 Show InChI InChI=1S/C29H29N7O3/c1-34-9-11-35(12-10-34)24(37)6-5-19-17-22-25-26(39-29(22)31-18-19)28(36-13-15-38-16-14-36)33-27(32-25)21-3-2-4-23-20(21)7-8-30-23/h2-8,17-18,30H,9-16H2,1H3/b6-5+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Karus Therapeutics Limited
US Patent
| Assay Description
PI3K Isoform using biochemical assay. |
US Patent US9580442 (2017)
BindingDB Entry DOI: 10.7270/Q2J38VM2 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM291355
(2-(1H-Indol-4-yl)-4-morpholin-4-yl-pyrido[3′...)Show SMILES C1CN(CCO1)c1nc(nc2c3cccnc3oc12)-c1cccc2[nH]ccc12 Show InChI InChI=1S/C21H17N5O2/c1-3-14(13-6-8-22-16(13)5-1)19-24-17-15-4-2-7-23-21(15)28-18(17)20(25-19)26-9-11-27-12-10-26/h1-8,22H,9-12H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Karus Therapeutics Limited
US Patent
| Assay Description
PI3K Isoform using biochemical assay. |
US Patent US9580442 (2017)
BindingDB Entry DOI: 10.7270/Q2J38VM2 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM387173
(US9938290, F)Show SMILES CN1CCN(CC1)C(=O)C\C=C/c1cnc2oc3c(nc(nc3c2c1)-c1cccc2[nH]ccc12)N1CCOCC1 Show InChI InChI=1S/C30H31N7O3/c1-35-10-12-36(13-11-35)25(38)7-2-4-20-18-23-26-27(40-30(23)32-19-20)29(37-14-16-39-17-15-37)34-28(33-26)22-5-3-6-24-21(22)8-9-31-24/h2-6,8-9,18-19,31H,7,10-17H2,1H3/b4-2- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Lek Pharmaceuticals d.d.
| Assay Description
Please see article |
J Med Chem 51: 7486-94 (2008)
BindingDB Entry DOI: 10.7270/Q21V5H9P |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM291360
(US9580442, Example H | US9938290, H | [2-(1H-Indol...)Show SMILES CN(C)Cc1cnc2oc3c(nc(nc3c2c1)-c1cccc2[nH]ccc12)N1CCOCC1 Show InChI InChI=1S/C24H24N6O2/c1-29(2)14-15-12-18-20-21(32-24(18)26-13-15)23(30-8-10-31-11-9-30)28-22(27-20)17-4-3-5-19-16(17)6-7-25-19/h3-7,12-13,25H,8-11,14H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Karus Therapeutics Limited
US Patent
| Assay Description
PI3K Isoform using biochemical assay. |
US Patent US9580442 (2017)
BindingDB Entry DOI: 10.7270/Q2J38VM2 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM291355
(2-(1H-Indol-4-yl)-4-morpholin-4-yl-pyrido[3′...)Show SMILES C1CN(CCO1)c1nc(nc2c3cccnc3oc12)-c1cccc2[nH]ccc12 Show InChI InChI=1S/C21H17N5O2/c1-3-14(13-6-8-22-16(13)5-1)19-24-17-15-4-2-7-23-21(15)28-18(17)20(25-19)26-9-11-27-12-10-26/h1-8,22H,9-12H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Lek Pharmaceuticals d.d.
| Assay Description
Please see article |
J Med Chem 51: 7486-94 (2008)
BindingDB Entry DOI: 10.7270/Q21V5H9P |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM291363
(2-(1H-Indol-4-yl)-4-morpholin-4-yl-8-morpholin-4-y...)Show SMILES C(N1CCOCC1)c1cnc2oc3c(nc(nc3c2c1)-c1cccc2[nH]ccc12)N1CCOCC1 Show InChI InChI=1S/C26H26N6O3/c1-2-19(18-4-5-27-21(18)3-1)24-29-22-20-14-17(16-31-6-10-33-11-7-31)15-28-26(20)35-23(22)25(30-24)32-8-12-34-13-9-32/h1-5,14-15,27H,6-13,16H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Karus Therapeutics Limited
US Patent
| Assay Description
PI3K Isoform using biochemical assay. |
US Patent US9580442 (2017)
BindingDB Entry DOI: 10.7270/Q2J38VM2 |
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)) | BDBM25019
(3-[6-methyl-4-(morpholin-4-yl)thieno[3,2-d]pyrimid...)Show InChI InChI=1S/C17H17N3O2S/c1-11-9-14-15(23-11)17(20-5-7-22-8-6-20)19-16(18-14)12-3-2-4-13(21)10-12/h2-4,9-10,21H,5-8H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | 7.5 | 22 |
Piramed Pharma
| Assay Description
Test compounds were added to reaction buffer containing yttrium silicate (Ysi) polylysine SPA beads (Amersham), and the enzyme was added to the assay... |
J Med Chem 51: 5522-32 (2008)
Article DOI: 10.1021/jm800295d
BindingDB Entry DOI: 10.7270/Q2222S23 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM291363
(2-(1H-Indol-4-yl)-4-morpholin-4-yl-8-morpholin-4-y...)Show SMILES C(N1CCOCC1)c1cnc2oc3c(nc(nc3c2c1)-c1cccc2[nH]ccc12)N1CCOCC1 Show InChI InChI=1S/C26H26N6O3/c1-2-19(18-4-5-27-21(18)3-1)24-29-22-20-14-17(16-31-6-10-33-11-7-31)15-28-26(20)35-23(22)25(30-24)32-8-12-34-13-9-32/h1-5,14-15,27H,6-13,16H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Lek Pharmaceuticals d.d.
| Assay Description
Please see article |
J Med Chem 51: 7486-94 (2008)
BindingDB Entry DOI: 10.7270/Q21V5H9P |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM291357
(2,8-Bis-(1H-indol-4-yl)-4-morpholin-4-yl-pyrido[3&...)Show SMILES C1CN(CCO1)c1nc(nc2c3cc(cnc3oc12)-c1cccc2[nH]ccc12)-c1cccc2[nH]ccc12 Show InChI InChI=1S/C29H22N6O2/c1-3-18(19-7-9-30-23(19)5-1)17-15-22-25-26(37-29(22)32-16-17)28(35-11-13-36-14-12-35)34-27(33-25)21-4-2-6-24-20(21)8-10-31-24/h1-10,15-16,30-31H,11-14H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Karus Therapeutics Limited
US Patent
| Assay Description
PI3K Isoform using biochemical assay. |
US Patent US9580442 (2017)
BindingDB Entry DOI: 10.7270/Q2J38VM2 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM291357
(2,8-Bis-(1H-indol-4-yl)-4-morpholin-4-yl-pyrido[3&...)Show SMILES C1CN(CCO1)c1nc(nc2c3cc(cnc3oc12)-c1cccc2[nH]ccc12)-c1cccc2[nH]ccc12 Show InChI InChI=1S/C29H22N6O2/c1-3-18(19-7-9-30-23(19)5-1)17-15-22-25-26(37-29(22)32-16-17)28(35-11-13-36-14-12-35)34-27(33-25)21-4-2-6-24-20(21)8-10-31-24/h1-10,15-16,30-31H,11-14H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Lek Pharmaceuticals d.d.
| Assay Description
Please see article |
J Med Chem 51: 7486-94 (2008)
BindingDB Entry DOI: 10.7270/Q21V5H9P |
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)) | BDBM25024
(3-(6-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-4-...)Show SMILES OCCN1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc(O)c2)CC1 Show InChI InChI=1S/C23H29N5O3S/c29-11-8-26-4-6-27(7-5-26)16-19-15-20-21(32-19)23(28-9-12-31-13-10-28)25-22(24-20)17-2-1-3-18(30)14-17/h1-3,14-15,29-30H,4-13,16H2 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | 7.5 | 22 |
Piramed Pharma
| Assay Description
Test compounds were added to reaction buffer containing yttrium silicate (Ysi) polylysine SPA beads (Amersham), and the enzyme was added to the assay... |
J Med Chem 51: 5522-32 (2008)
Article DOI: 10.1021/jm800295d
BindingDB Entry DOI: 10.7270/Q2222S23 |
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)) | BDBM25018
(3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phe...)Show InChI InChI=1S/C16H15N3O2S/c20-12-3-1-2-11(10-12)15-17-13-4-9-22-14(13)16(18-15)19-5-7-21-8-6-19/h1-4,9-10,20H,5-8H2 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | 7.5 | 22 |
Piramed Pharma
| Assay Description
Test compounds were added to reaction buffer containing yttrium silicate (Ysi) polylysine SPA beads (Amersham), and the enzyme was added to the assay... |
J Med Chem 51: 5522-32 (2008)
Article DOI: 10.1021/jm800295d
BindingDB Entry DOI: 10.7270/Q2222S23 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM124199
(US8748458, 3)Show InChI InChI=1S/C17H22N4O2/c22-17(20-23)11-3-1-2-8-14-21(15-9-4-6-12-18-15)16-10-5-7-13-19-16/h4-7,9-10,12-13,23H,1-3,8,11,14H2,(H,20,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | 37 |
Karus Therapeutics Limited
US Patent
| Assay Description
In vitro HDAC assays were performed using a HDAC fluorescent activity assay kit (Biomol, UK) according to the manufacturer's instructions. Compounds ... |
US Patent US8748458 (2014)
BindingDB Entry DOI: 10.7270/Q22N50Z7 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM291361
(2-(1H-Indol-4-yl)-4-morpholin-4-yl-8-piperidin-1-y...)Show SMILES C(N1CCCCC1)c1cnc2oc3c(nc(nc3c2c1)-c1cccc2[nH]ccc12)N1CCOCC1 Show InChI InChI=1S/C27H28N6O2/c1-2-9-32(10-3-1)17-18-15-21-23-24(35-27(21)29-16-18)26(33-11-13-34-14-12-33)31-25(30-23)20-5-4-6-22-19(20)7-8-28-22/h4-8,15-16,28H,1-3,9-14,17H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Lek Pharmaceuticals d.d.
| Assay Description
Please see article |
J Med Chem 51: 7486-94 (2008)
BindingDB Entry DOI: 10.7270/Q21V5H9P |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM291361
(2-(1H-Indol-4-yl)-4-morpholin-4-yl-8-piperidin-1-y...)Show SMILES C(N1CCCCC1)c1cnc2oc3c(nc(nc3c2c1)-c1cccc2[nH]ccc12)N1CCOCC1 Show InChI InChI=1S/C27H28N6O2/c1-2-9-32(10-3-1)17-18-15-21-23-24(35-27(21)29-16-18)26(33-11-13-34-14-12-33)31-25(30-23)20-5-4-6-22-19(20)7-8-28-22/h4-8,15-16,28H,1-3,9-14,17H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Karus Therapeutics Limited
US Patent
| Assay Description
PI3K Isoform using biochemical assay. |
US Patent US9580442 (2017)
BindingDB Entry DOI: 10.7270/Q2J38VM2 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM291365
(2-(1H-Indol-4-yl)-4,8-di-morpholin-4-yl-pyrido[3&#...)Show SMILES C1CN(CCO1)c1cnc2oc3c(nc(nc3c2c1)-c1cccc2[nH]ccc12)N1CCOCC1 Show InChI InChI=1S/C25H24N6O3/c1-2-18(17-4-5-26-20(17)3-1)23-28-21-19-14-16(30-6-10-32-11-7-30)15-27-25(19)34-22(21)24(29-23)31-8-12-33-13-9-31/h1-5,14-15,26H,6-13H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Lek Pharmaceuticals d.d.
| Assay Description
Please see article |
J Med Chem 51: 7486-94 (2008)
BindingDB Entry DOI: 10.7270/Q21V5H9P |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM291365
(2-(1H-Indol-4-yl)-4,8-di-morpholin-4-yl-pyrido[3&#...)Show SMILES C1CN(CCO1)c1cnc2oc3c(nc(nc3c2c1)-c1cccc2[nH]ccc12)N1CCOCC1 Show InChI InChI=1S/C25H24N6O3/c1-2-18(17-4-5-26-20(17)3-1)23-28-21-19-14-16(30-6-10-32-11-7-30)15-27-25(19)34-22(21)24(29-23)31-8-12-33-13-9-31/h1-5,14-15,26H,6-13H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Karus Therapeutics Limited
US Patent
| Assay Description
PI3K Isoform using biochemical assay. |
US Patent US9580442 (2017)
BindingDB Entry DOI: 10.7270/Q2J38VM2 |
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)) | BDBM25023
(3-{6-[(4-methylpiperazin-1-yl)methyl]-4-(morpholin...)Show SMILES CN1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc(O)c2)CC1 Show InChI InChI=1S/C22H27N5O2S/c1-25-5-7-26(8-6-25)15-18-14-19-20(30-18)22(27-9-11-29-12-10-27)24-21(23-19)16-3-2-4-17(28)13-16/h2-4,13-14,28H,5-12,15H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | 7.5 | 22 |
Piramed Pharma
| Assay Description
Test compounds were added to reaction buffer containing yttrium silicate (Ysi) polylysine SPA beads (Amersham), and the enzyme was added to the assay... |
J Med Chem 51: 5522-32 (2008)
Article DOI: 10.1021/jm800295d
BindingDB Entry DOI: 10.7270/Q2222S23 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM124205
(US8748458, 11)Show InChI InChI=1S/C18H24N4O3/c1-25-15-10-11-17(20-14-15)22(16-8-5-6-12-19-16)13-7-3-2-4-9-18(23)21-24/h5-6,8,10-12,14,24H,2-4,7,9,13H2,1H3,(H,21,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | 37 |
Karus Therapeutics Limited
US Patent
| Assay Description
In vitro HDAC assays were performed using a HDAC fluorescent activity assay kit (Biomol, UK) according to the manufacturer's instructions. Compounds ... |
US Patent US8748458 (2014)
BindingDB Entry DOI: 10.7270/Q22N50Z7 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM291354
(2-(1H-Indol-4-yl)-4-morpholin-4-yl-pyrido[3′...)Show SMILES C1CN(CCO1)c1nc(nc2c3cccnc3sc12)-c1cccc2[nH]ccc12 Show InChI InChI=1S/C21H17N5OS/c1-3-14(13-6-8-22-16(13)5-1)19-24-17-15-4-2-7-23-21(15)28-18(17)20(25-19)26-9-11-27-12-10-26/h1-8,22H,9-12H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Lek Pharmaceuticals d.d.
| Assay Description
Please see article |
J Med Chem 51: 7486-94 (2008)
BindingDB Entry DOI: 10.7270/Q21V5H9P |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM291354
(2-(1H-Indol-4-yl)-4-morpholin-4-yl-pyrido[3′...)Show SMILES C1CN(CCO1)c1nc(nc2c3cccnc3sc12)-c1cccc2[nH]ccc12 Show InChI InChI=1S/C21H17N5OS/c1-3-14(13-6-8-22-16(13)5-1)19-24-17-15-4-2-7-23-21(15)28-18(17)20(25-19)26-9-11-27-12-10-26/h1-8,22H,9-12H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Karus Therapeutics Limited
US Patent
| Assay Description
PI3K Isoform using biochemical assay. |
US Patent US9580442 (2017)
BindingDB Entry DOI: 10.7270/Q2J38VM2 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM124200
(US8748458, 4)Show InChI InChI=1S/C21H24N4O2/c26-21(24-27)12-3-1-2-8-16-25(19-11-6-7-15-22-19)20-14-13-17-9-4-5-10-18(17)23-20/h4-7,9-11,13-15,27H,1-3,8,12,16H2,(H,24,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | 37 |
Karus Therapeutics Limited
US Patent
| Assay Description
In vitro HDAC assays were performed using a HDAC fluorescent activity assay kit (Biomol, UK) according to the manufacturer's instructions. Compounds ... |
US Patent US8748458 (2014)
BindingDB Entry DOI: 10.7270/Q22N50Z7 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM291355
(2-(1H-Indol-4-yl)-4-morpholin-4-yl-pyrido[3′...)Show SMILES C1CN(CCO1)c1nc(nc2c3cccnc3oc12)-c1cccc2[nH]ccc12 Show InChI InChI=1S/C21H17N5O2/c1-3-14(13-6-8-22-16(13)5-1)19-24-17-15-4-2-7-23-21(15)28-18(17)20(25-19)26-9-11-27-12-10-26/h1-8,22H,9-12H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Karus Therapeutics Limited
US Patent
| Assay Description
PI3K Isoform using biochemical assay. |
US Patent US9580442 (2017)
BindingDB Entry DOI: 10.7270/Q2J38VM2 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM291355
(2-(1H-Indol-4-yl)-4-morpholin-4-yl-pyrido[3′...)Show SMILES C1CN(CCO1)c1nc(nc2c3cccnc3oc12)-c1cccc2[nH]ccc12 Show InChI InChI=1S/C21H17N5O2/c1-3-14(13-6-8-22-16(13)5-1)19-24-17-15-4-2-7-23-21(15)28-18(17)20(25-19)26-9-11-27-12-10-26/h1-8,22H,9-12H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Lek Pharmaceuticals d.d.
| Assay Description
Please see article |
J Med Chem 51: 7486-94 (2008)
BindingDB Entry DOI: 10.7270/Q21V5H9P |
More data for this
Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM124202
(US8748458, 8)Show SMILES ONC(=O)CCCCCCN(c1ccccn1)c1cc(ccn1)-c1ccccc1 Show InChI InChI=1S/C23H26N4O2/c28-23(26-29)13-6-1-2-9-17-27(21-12-7-8-15-24-21)22-18-20(14-16-25-22)19-10-4-3-5-11-19/h3-5,7-8,10-12,14-16,18,29H,1-2,6,9,13,17H2,(H,26,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | 37 |
Karus Therapeutics Limited
US Patent
| Assay Description
In vitro HDAC assays were performed using a HDAC fluorescent activity assay kit (Biomol, UK) according to the manufacturer's instructions. Compounds ... |
US Patent US8748458 (2014)
BindingDB Entry DOI: 10.7270/Q22N50Z7 |
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)) | BDBM25020
(3-[7-methyl-4-(morpholin-4-yl)thieno[3,2-d]pyrimid...)Show InChI InChI=1S/C17H17N3O2S/c1-11-10-23-15-14(11)18-16(12-3-2-4-13(21)9-12)19-17(15)20-5-7-22-8-6-20/h2-4,9-10,21H,5-8H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | 7.5 | 22 |
Piramed Pharma
| Assay Description
Test compounds were added to reaction buffer containing yttrium silicate (Ysi) polylysine SPA beads (Amersham), and the enzyme was added to the assay... |
J Med Chem 51: 5522-32 (2008)
Article DOI: 10.1021/jm800295d
BindingDB Entry DOI: 10.7270/Q2222S23 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM291364
(US9580442, Example L | US9938290, L | [2-(1H-Indol...)Show SMILES COCCN(C)Cc1cnc2oc3c(nc(nc3c2c1)-c1cccc2[nH]ccc12)N1CCOCC1 Show InChI InChI=1S/C26H28N6O3/c1-31(8-11-33-2)16-17-14-20-22-23(35-26(20)28-15-17)25(32-9-12-34-13-10-32)30-24(29-22)19-4-3-5-21-18(19)6-7-27-21/h3-7,14-15,27H,8-13,16H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Lek Pharmaceuticals d.d.
| Assay Description
Please see article |
J Med Chem 51: 7486-94 (2008)
BindingDB Entry DOI: 10.7270/Q21V5H9P |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM291364
(US9580442, Example L | US9938290, L | [2-(1H-Indol...)Show SMILES COCCN(C)Cc1cnc2oc3c(nc(nc3c2c1)-c1cccc2[nH]ccc12)N1CCOCC1 Show InChI InChI=1S/C26H28N6O3/c1-31(8-11-33-2)16-17-14-20-22-23(35-26(20)28-15-17)25(32-9-12-34-13-10-32)30-24(29-22)19-4-3-5-21-18(19)6-7-27-21/h3-7,14-15,27H,8-13,16H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Karus Therapeutics Limited
US Patent
| Assay Description
PI3K Isoform using biochemical assay. |
US Patent US9580442 (2017)
BindingDB Entry DOI: 10.7270/Q2J38VM2 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM124201
(US8748458, 5)Show SMILES [#8]-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]\[#6]=[#6](\c1ccccn1)-c1ccccn1 Show InChI InChI=1S/C18H21N3O2/c22-18(21-23)12-4-2-1-3-9-15(16-10-5-7-13-19-16)17-11-6-8-14-20-17/h5-11,13-14,23H,1-4,12H2,(H,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | 37 |
Karus Therapeutics Limited
US Patent
| Assay Description
In vitro HDAC assays were performed using a HDAC fluorescent activity assay kit (Biomol, UK) according to the manufacturer's instructions. Compounds ... |
US Patent US8748458 (2014)
BindingDB Entry DOI: 10.7270/Q22N50Z7 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM291366
(3-{4-[2-(1H-Indol-4-yl)-4-morpholin-4-yl-pyrido[3&...)Show SMILES N#CCCN1CCN(Cc2cnc3oc4c(nc(nc4c3c2)-c2cccc3[nH]ccc23)N2CCOCC2)CC1 Show InChI InChI=1S/C29H30N8O2/c30-6-2-8-35-9-11-36(12-10-35)19-20-17-23-25-26(39-29(23)32-18-20)28(37-13-15-38-16-14-37)34-27(33-25)22-3-1-4-24-21(22)5-7-31-24/h1,3-5,7,17-18,31H,2,8-16,19H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Karus Therapeutics Limited
US Patent
| Assay Description
PI3K Isoform using biochemical assay. |
US Patent US9580442 (2017)
BindingDB Entry DOI: 10.7270/Q2J38VM2 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM291366
(3-{4-[2-(1H-Indol-4-yl)-4-morpholin-4-yl-pyrido[3&...)Show SMILES N#CCCN1CCN(Cc2cnc3oc4c(nc(nc4c3c2)-c2cccc3[nH]ccc23)N2CCOCC2)CC1 Show InChI InChI=1S/C29H30N8O2/c30-6-2-8-35-9-11-36(12-10-35)19-20-17-23-25-26(39-29(23)32-18-20)28(37-13-15-38-16-14-37)34-27(33-25)22-3-1-4-24-21(22)5-7-31-24/h1,3-5,7,17-18,31H,2,8-16,19H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Lek Pharmaceuticals d.d.
| Assay Description
Please see article |
J Med Chem 51: 7486-94 (2008)
BindingDB Entry DOI: 10.7270/Q21V5H9P |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM291365
(2-(1H-Indol-4-yl)-4,8-di-morpholin-4-yl-pyrido[3&#...)Show SMILES C1CN(CCO1)c1cnc2oc3c(nc(nc3c2c1)-c1cccc2[nH]ccc12)N1CCOCC1 Show InChI InChI=1S/C25H24N6O3/c1-2-18(17-4-5-26-20(17)3-1)23-28-21-19-14-16(30-6-10-32-11-7-30)15-27-25(19)34-22(21)24(29-23)31-8-12-33-13-9-31/h1-5,14-15,26H,6-13H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Karus Therapeutics Limited
US Patent
| Assay Description
PI3K Isoform using biochemical assay. |
US Patent US9580442 (2017)
BindingDB Entry DOI: 10.7270/Q2J38VM2 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM291365
(2-(1H-Indol-4-yl)-4,8-di-morpholin-4-yl-pyrido[3&#...)Show SMILES C1CN(CCO1)c1cnc2oc3c(nc(nc3c2c1)-c1cccc2[nH]ccc12)N1CCOCC1 Show InChI InChI=1S/C25H24N6O3/c1-2-18(17-4-5-26-20(17)3-1)23-28-21-19-14-16(30-6-10-32-11-7-30)15-27-25(19)34-22(21)24(29-23)31-8-12-33-13-9-31/h1-5,14-15,26H,6-13H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Lek Pharmaceuticals d.d.
| Assay Description
Please see article |
J Med Chem 51: 7486-94 (2008)
BindingDB Entry DOI: 10.7270/Q21V5H9P |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM291362
(2-(1H-Indol-4-yl)-8-(4-methyl-piperazin-1-ylmethyl...)Show SMILES CN1CCN(Cc2cnc3oc4c(nc(nc4c3c2)-c2cccc3[nH]ccc23)N2CCOCC2)CC1 Show InChI InChI=1S/C27H29N7O2/c1-32-7-9-33(10-8-32)17-18-15-21-23-24(36-27(21)29-16-18)26(34-11-13-35-14-12-34)31-25(30-23)20-3-2-4-22-19(20)5-6-28-22/h2-6,15-16,28H,7-14,17H2,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Lek Pharmaceuticals d.d.
| Assay Description
Please see article |
J Med Chem 51: 7486-94 (2008)
BindingDB Entry DOI: 10.7270/Q21V5H9P |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM291362
(2-(1H-Indol-4-yl)-8-(4-methyl-piperazin-1-ylmethyl...)Show SMILES CN1CCN(Cc2cnc3oc4c(nc(nc4c3c2)-c2cccc3[nH]ccc23)N2CCOCC2)CC1 Show InChI InChI=1S/C27H29N7O2/c1-32-7-9-33(10-8-32)17-18-15-21-23-24(36-27(21)29-16-18)26(34-11-13-35-14-12-34)31-25(30-23)20-3-2-4-22-19(20)5-6-28-22/h2-6,15-16,28H,7-14,17H2,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Karus Therapeutics Limited
US Patent
| Assay Description
PI3K Isoform using biochemical assay. |
US Patent US9580442 (2017)
BindingDB Entry DOI: 10.7270/Q2J38VM2 |
More data for this
Ligand-Target Pair | |
Neuromedin-B receptor
(Homo sapiens (Human)) | BDBM50147019
(3-[3-(2,6-Diisopropyl-phenyl)-ureido]-5-methoxy-2,...)Show SMILES COc1cccc2[nH]c3CCC(Cc3c12)(NC(=O)Nc1c(cccc1C(C)C)C(C)C)C(=O)NCC1(CCCCC1)c1ccccn1 Show InChI InChI=1S/C39H49N5O3/c1-25(2)27-13-11-14-28(26(3)4)35(27)43-37(46)44-39(21-18-30-29(23-39)34-31(42-30)15-12-16-32(34)47-5)36(45)41-24-38(19-8-6-9-20-38)33-17-7-10-22-40-33/h7,10-17,22,25-26,42H,6,8-9,18-21,23-24H2,1-5H3,(H,41,45)(H2,43,44,46) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Tularik Inc.
Curated by ChEMBL
| Assay Description
Affinity of [125I][D-Tyr0]-NMB to human Neuromedin B receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 14: 3037-42 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.045
BindingDB Entry DOI: 10.7270/Q2PR7VF7 |
More data for this
Ligand-Target Pair | |
Neuromedin-B receptor
(Homo sapiens (Human)) | BDBM50147019
(3-[3-(2,6-Diisopropyl-phenyl)-ureido]-5-methoxy-2,...)Show SMILES COc1cccc2[nH]c3CCC(Cc3c12)(NC(=O)Nc1c(cccc1C(C)C)C(C)C)C(=O)NCC1(CCCCC1)c1ccccn1 Show InChI InChI=1S/C39H49N5O3/c1-25(2)27-13-11-14-28(26(3)4)35(27)43-37(46)44-39(21-18-30-29(23-39)34-31(42-30)15-12-16-32(34)47-5)36(45)41-24-38(19-8-6-9-20-38)33-17-7-10-22-40-33/h7,10-17,22,25-26,42H,6,8-9,18-21,23-24H2,1-5H3,(H,41,45)(H2,43,44,46) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Tularik Inc.
Curated by ChEMBL
| Assay Description
Affinity of [125I][D-Tyr0]-NMB to human Neuromedin B receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 14: 3037-42 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.045
BindingDB Entry DOI: 10.7270/Q2PR7VF7 |
More data for this
Ligand-Target Pair | |
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