Found 260 hits with Last Name = 'akssira' and Initial = 'm' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Dihydrofolate reductase
(Pneumocystis carinii) | BDBM50135141
(6-[(2,5-Dichloro-phenylamino)-methyl]-pyrido[2,3-d...)Show InChI InChI=1S/C14H12Cl2N6/c15-8-1-2-10(16)11(4-8)19-5-7-3-9-12(17)21-14(18)22-13(9)20-6-7/h1-4,6,19H,5H2,(H4,17,18,20,21,22) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ d'Orl£ans
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Pneumocystis carinii DHFR expressed in Escherichia coli Rosetta Gami B (DE3) by spectrophotometric assay |
Eur J Med Chem 95: 76-95 (2015)
Article DOI: 10.1016/j.ejmech.2015.03.029
BindingDB Entry DOI: 10.7270/Q2PR7XP6 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50135141
(6-[(2,5-Dichloro-phenylamino)-methyl]-pyrido[2,3-d...)Show InChI InChI=1S/C14H12Cl2N6/c15-8-1-2-10(16)11(4-8)19-5-7-3-9-12(17)21-14(18)22-13(9)20-6-7/h1-4,6,19H,5H2,(H4,17,18,20,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ d'Orl£ans
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human DHFR expressed in Escherichia coli Rosetta Gami B (DE3) by spectrophotometric assay |
Eur J Med Chem 95: 76-95 (2015)
Article DOI: 10.1016/j.ejmech.2015.03.029
BindingDB Entry DOI: 10.7270/Q2PR7XP6 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50243145
(CHEMBL3109141)Show SMILES OCc1cccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3ncccc3n2)c1 Show InChI InChI=1S/C25H24N6O3/c32-16-17-3-1-4-20(15-17)28-25(33)27-19-8-6-18(7-9-19)23-29-21-5-2-10-26-22(21)24(30-23)31-11-13-34-14-12-31/h1-10,15,32H,11-14,16H2,(H2,27,28,33) | 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 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ d'Orl£ans
Curated by ChEMBL
| Assay Description
Inhibition of mTOR (unknown origin) after 2 hrs by TR-FRET assay |
J Med Chem 57: 613-31 (2014)
Article DOI: 10.1021/jm401138v
BindingDB Entry DOI: 10.7270/Q2G44T8C |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50094703
(5-(3-Bromo-phenyl)-7-(6-morpholin-4-yl-pyridin-3-y...)Show SMILES Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nc1)N1CCOCC1 Show InChI InChI=1S/C22H19BrN6O/c23-16-3-1-2-14(10-16)17-11-18(28-22-20(17)21(24)26-13-27-22)15-4-5-19(25-12-15)29-6-8-30-9-7-29/h1-5,10-13H,6-9H2,(H2,24,26,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ d'Orl£ans
Curated by ChEMBL
| Assay Description
Inhibition of adenosine kinase (unknown origin) |
Eur J Med Chem 95: 76-95 (2015)
Article DOI: 10.1016/j.ejmech.2015.03.029
BindingDB Entry DOI: 10.7270/Q2PR7XP6 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50495494
(CHEMBL3109116)Show InChI InChI=1S/C17H16N4O2/c22-13-4-1-3-12(11-13)16-19-14-5-2-6-18-15(14)17(20-16)21-7-9-23-10-8-21/h1-6,11,22H,7-10H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ d'Orl£ans
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) after 1 hr by TR-FRET assay |
J Med Chem 57: 613-31 (2014)
Article DOI: 10.1021/jm401138v
BindingDB Entry DOI: 10.7270/Q2G44T8C |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50243143
(CHEMBL3109142)Show SMILES OCc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3ncccc3n2)cc1 Show InChI InChI=1S/C25H24N6O3/c32-16-17-3-7-19(8-4-17)27-25(33)28-20-9-5-18(6-10-20)23-29-21-2-1-11-26-22(21)24(30-23)31-12-14-34-15-13-31/h1-11,32H,12-16H2,(H2,27,28,33) | 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 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ d'Orl£ans
Curated by ChEMBL
| Assay Description
Inhibition of mTOR (unknown origin) after 2 hrs by TR-FRET assay |
J Med Chem 57: 613-31 (2014)
Article DOI: 10.1021/jm401138v
BindingDB Entry DOI: 10.7270/Q2G44T8C |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50099963
(CHEMBL30432 | N*4*-(1-Benzyl-1H-indazol-5-yl)-N*6*...)Show SMILES CN(C)c1cc2c(Nc3ccc4n(Cc5ccccc5)ncc4c3)ncnc2cn1 Show InChI InChI=1S/C23H21N7/c1-29(2)22-11-19-20(13-24-22)25-15-26-23(19)28-18-8-9-21-17(10-18)12-27-30(21)14-16-6-4-3-5-7-16/h3-13,15H,14H2,1-2H3,(H,25,26,28) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ d'Orl£ans
Curated by ChEMBL
| Assay Description
Inhibition of EGFR intracellular domain (unknown origin) purified from a baculovirus expression system using Biotin-(amino hexonoic acid)-EEEEYFELVAK... |
Eur J Med Chem 95: 76-95 (2015)
Article DOI: 10.1016/j.ejmech.2015.03.029
BindingDB Entry DOI: 10.7270/Q2PR7XP6 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50495487
(CHEMBL3109134)Show InChI InChI=1S/C15H15N7O/c16-15-18-8-10(9-19-15)13-20-11-2-1-3-17-12(11)14(21-13)22-4-6-23-7-5-22/h1-3,8-9H,4-7H2,(H2,16,18,19) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ d'Orl£ans
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) after 1 hr by TR-FRET assay |
J Med Chem 57: 613-31 (2014)
Article DOI: 10.1021/jm401138v
BindingDB Entry DOI: 10.7270/Q2G44T8C |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50495501
(CHEMBL3109133)Show InChI InChI=1S/C16H16N6O/c17-13-4-3-11(10-19-13)15-20-12-2-1-5-18-14(12)16(21-15)22-6-8-23-9-7-22/h1-5,10H,6-9H2,(H2,17,19) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ d'Orl£ans
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) after 1 hr by TR-FRET assay |
J Med Chem 57: 613-31 (2014)
Article DOI: 10.1021/jm401138v
BindingDB Entry DOI: 10.7270/Q2G44T8C |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50495499
(CHEMBL3109140)Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2ncccc2n1 Show InChI InChI=1S/C19H20N6O2/c1-20-19(26)22-14-6-4-13(5-7-14)17-23-15-3-2-8-21-16(15)18(24-17)25-9-11-27-12-10-25/h2-8H,9-12H2,1H3,(H2,20,22,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ d'Orl£ans
Curated by ChEMBL
| Assay Description
Inhibition of mTOR (unknown origin) after 2 hrs by TR-FRET assay |
J Med Chem 57: 613-31 (2014)
Article DOI: 10.1021/jm401138v
BindingDB Entry DOI: 10.7270/Q2G44T8C |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50243143
(CHEMBL3109142)Show SMILES OCc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3ncccc3n2)cc1 Show InChI InChI=1S/C25H24N6O3/c32-16-17-3-7-19(8-4-17)27-25(33)28-20-9-5-18(6-10-20)23-29-21-2-1-11-26-22(21)24(30-23)31-12-14-34-15-13-31/h1-11,32H,12-16H2,(H2,27,28,33) | 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 | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ d'Orl£ans
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) after 1 hr by TR-FRET assay |
J Med Chem 57: 613-31 (2014)
Article DOI: 10.1021/jm401138v
BindingDB Entry DOI: 10.7270/Q2G44T8C |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50099963
(CHEMBL30432 | N*4*-(1-Benzyl-1H-indazol-5-yl)-N*6*...)Show SMILES CN(C)c1cc2c(Nc3ccc4n(Cc5ccccc5)ncc4c3)ncnc2cn1 Show InChI InChI=1S/C23H21N7/c1-29(2)22-11-19-20(13-24-22)25-15-26-23(19)28-18-8-9-21-17(10-18)12-27-30(21)14-16-6-4-3-5-7-16/h3-13,15H,14H2,1-2H3,(H,25,26,28) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ d'Orl£ans
Curated by ChEMBL
| Assay Description
Inhibition of ErbB-2 intracellular domain (unknown origin) purified from a baculovirus expression system using Biotin-(amino hexonoic acid)-EEEEYFELV... |
Eur J Med Chem 95: 76-95 (2015)
Article DOI: 10.1016/j.ejmech.2015.03.029
BindingDB Entry DOI: 10.7270/Q2PR7XP6 |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Toxoplasma gondii) | BDBM18224
(6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3...)Show InChI InChI=1S/C17H19N5O2/c1-9-11(6-10-7-12(23-2)4-5-13(10)24-3)8-20-16-14(9)15(18)21-17(19)22-16/h4-5,7-8H,6H2,1-3H3,(H4,18,19,20,21,22) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ d'Orl£ans
Curated by ChEMBL
| Assay Description
Inhibition of Toxoplasma gondii DHFR by spectrophotometric assay |
Eur J Med Chem 95: 76-95 (2015)
Article DOI: 10.1016/j.ejmech.2015.03.029
BindingDB Entry DOI: 10.7270/Q2PR7XP6 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50495491
(CHEMBL3109139)Show InChI InChI=1S/C15H15N7O/c16-15-18-8-10(9-19-15)12-20-13-11(2-1-3-17-13)14(21-12)22-4-6-23-7-5-22/h1-3,8-9H,4-7H2,(H2,16,18,19) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ d'Orl£ans
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) after 1 hr by TR-FRET assay |
J Med Chem 57: 613-31 (2014)
Article DOI: 10.1021/jm401138v
BindingDB Entry DOI: 10.7270/Q2G44T8C |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50495494
(CHEMBL3109116)Show InChI InChI=1S/C17H16N4O2/c22-13-4-1-3-12(11-13)16-19-14-5-2-6-18-15(14)17(20-16)21-7-9-23-10-8-21/h1-6,11,22H,7-10H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ d'Orl£ans
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) after 1 hr by TR-FRET assay |
J Med Chem 57: 613-31 (2014)
Article DOI: 10.1021/jm401138v
BindingDB Entry DOI: 10.7270/Q2G44T8C |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Pneumocystis carinii) | BDBM18224
(6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3...)Show InChI InChI=1S/C17H19N5O2/c1-9-11(6-10-7-12(23-2)4-5-13(10)24-3)8-20-16-14(9)15(18)21-17(19)22-16/h4-5,7-8H,6H2,1-3H3,(H4,18,19,20,21,22) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ d'Orl£ans
Curated by ChEMBL
| Assay Description
Inhibition of Pneumocystis carinii DHFR by spectrophotometric assay |
Eur J Med Chem 95: 76-95 (2015)
Article DOI: 10.1016/j.ejmech.2015.03.029
BindingDB Entry DOI: 10.7270/Q2PR7XP6 |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50073942
(CHEMBL3409483)Show SMILES [O-][S+]1CCN(Cc2ccc(o2)-c2cc3c(Nc4ccc(OCc5cccc(F)c5)cc4)ncnc3cn2)CC1 Show InChI InChI=1S/C29H26FN5O3S/c30-21-3-1-2-20(14-21)18-37-23-6-4-22(5-7-23)34-29-25-15-26(31-16-27(25)32-19-33-29)28-9-8-24(38-28)17-35-10-12-39(36)13-11-35/h1-9,14-16,19H,10-13,17-18H2,(H,32,33,34) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ d'Orl£ans
Curated by ChEMBL
| Assay Description
Inhibition of ErbB-2 intracellular domain (unknown origin) purified from a baculovirus expression system using Biotin-(amino hexonoic acid)-EEEEYFELV... |
Eur J Med Chem 95: 76-95 (2015)
Article DOI: 10.1016/j.ejmech.2015.03.029
BindingDB Entry DOI: 10.7270/Q2PR7XP6 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50073942
(CHEMBL3409483)Show SMILES [O-][S+]1CCN(Cc2ccc(o2)-c2cc3c(Nc4ccc(OCc5cccc(F)c5)cc4)ncnc3cn2)CC1 Show InChI InChI=1S/C29H26FN5O3S/c30-21-3-1-2-20(14-21)18-37-23-6-4-22(5-7-23)34-29-25-15-26(31-16-27(25)32-19-33-29)28-9-8-24(38-28)17-35-10-12-39(36)13-11-35/h1-9,14-16,19H,10-13,17-18H2,(H,32,33,34) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ d'Orl£ans
Curated by ChEMBL
| Assay Description
Inhibition of EGFR intracellular domain (unknown origin) purified from a baculovirus expression system using Biotin-(amino hexonoic acid)-EEEEYFELVAK... |
Eur J Med Chem 95: 76-95 (2015)
Article DOI: 10.1016/j.ejmech.2015.03.029
BindingDB Entry DOI: 10.7270/Q2PR7XP6 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 5 activator 1
(Homo sapiens (Human)) | BDBM50161356
(CHEMBL3786536)Show InChI InChI=1S/C16H12BrN3O/c1-8-2-3-9-7-11-14(10(9)6-8)19-16(18)20-15(11)12-4-5-13(17)21-12/h2-6H,7H2,1H3,(H2,18,19,20) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ d'Orl£ans
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CDK5/p25 using histone H1 as substrate |
Eur J Med Chem 115: 311-25 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.072
BindingDB Entry DOI: 10.7270/Q2JM2CHT |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50495514
(CHEMBL3109126)Show InChI InChI=1S/C18H18N4O2/c23-12-13-3-1-4-14(11-13)17-20-15-5-2-6-19-16(15)18(21-17)22-7-9-24-10-8-22/h1-6,11,23H,7-10,12H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ d'Orl£ans
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) after 1 hr by TR-FRET assay |
J Med Chem 57: 613-31 (2014)
Article DOI: 10.1021/jm401138v
BindingDB Entry DOI: 10.7270/Q2G44T8C |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 5 activator 1
(Homo sapiens (Human)) | BDBM50161347
(CHEMBL3786624)Show SMILES O=Cc1cccc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)n1 Show InChI InChI=1S/C16H13N3O/c1-9-4-5-10-8-12-14(11(10)7-9)18-16(17)19-15(12)13-3-2-6-20-13/h2-7H,8H2,1H3,(H2,17,18,19) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ d'Orl£ans
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CDK5/p25 using histone H1 as substrate |
Eur J Med Chem 115: 311-25 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.072
BindingDB Entry DOI: 10.7270/Q2JM2CHT |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50073941
(CHEMBL3409484)Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1cc2c(Nc3ccc(OCc4ccccc4)cc3)ncnc2cn1 Show InChI InChI=1S/C28H27N5O4S/c1-38(34,35)14-13-29-16-23-11-12-27(37-23)25-15-24-26(17-30-25)31-19-32-28(24)33-21-7-9-22(10-8-21)36-18-20-5-3-2-4-6-20/h2-12,15,17,19,29H,13-14,16,18H2,1H3,(H,31,32,33) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ d'Orl£ans
Curated by ChEMBL
| Assay Description
Inhibition of EGFR intracellular domain (unknown origin) purified from a baculovirus expression system using Biotin-(amino hexonoic acid)-EEEEYFELVAK... |
Eur J Med Chem 95: 76-95 (2015)
Article DOI: 10.1016/j.ejmech.2015.03.029
BindingDB Entry DOI: 10.7270/Q2PR7XP6 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 5 activator 1
(Homo sapiens (Human)) | BDBM50399310
(CHEMBL2180854)Show InChI InChI=1S/C18H17BrN4O2/c19-11-7-8-20-15(10-11)22-18(25)21-13-5-3-4-12-16(13)14-6-1-2-9-23(14)17(12)24/h3-5,7-8,10,14H,1-2,6,9H2,(H2,20,21,22,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ d'Orl£ans
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CDK5/p25 using histone H1 as substrate and [gamma-33P]-ATP after 30 mins by scintillation counting |
J Med Chem 55: 9589-606 (2012)
Article DOI: 10.1021/jm3008536
BindingDB Entry DOI: 10.7270/Q28S4R2J |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50073941
(CHEMBL3409484)Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1cc2c(Nc3ccc(OCc4ccccc4)cc3)ncnc2cn1 Show InChI InChI=1S/C28H27N5O4S/c1-38(34,35)14-13-29-16-23-11-12-27(37-23)25-15-24-26(17-30-25)31-19-32-28(24)33-21-7-9-22(10-8-21)36-18-20-5-3-2-4-6-20/h2-12,15,17,19,29H,13-14,16,18H2,1H3,(H,31,32,33) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ d'Orl£ans
Curated by ChEMBL
| Assay Description
Inhibition of ErbB-2 intracellular domain (unknown origin) purified from a baculovirus expression system using Biotin-(amino hexonoic acid)-EEEEYFELV... |
Eur J Med Chem 95: 76-95 (2015)
Article DOI: 10.1016/j.ejmech.2015.03.029
BindingDB Entry DOI: 10.7270/Q2PR7XP6 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50243143
(CHEMBL3109142)Show SMILES OCc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3ncccc3n2)cc1 Show InChI InChI=1S/C25H24N6O3/c32-16-17-3-7-19(8-4-17)27-25(33)28-20-9-5-18(6-10-20)23-29-21-2-1-11-26-22(21)24(30-23)31-12-14-34-15-13-31/h1-11,32H,12-16H2,(H2,27,28,33) | 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 | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ d'Orl£ans
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kgamma (unknown origin) after 1 hr by TR-FRET assay |
J Med Chem 57: 613-31 (2014)
Article DOI: 10.1021/jm401138v
BindingDB Entry DOI: 10.7270/Q2G44T8C |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50495501
(CHEMBL3109133)Show InChI InChI=1S/C16H16N6O/c17-13-4-3-11(10-19-13)15-20-12-2-1-5-18-14(12)16(21-15)22-6-8-23-9-7-22/h1-5,10H,6-9H2,(H2,17,19) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ d'Orl£ans
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) after 1 hr by TR-FRET assay |
J Med Chem 57: 613-31 (2014)
Article DOI: 10.1021/jm401138v
BindingDB Entry DOI: 10.7270/Q2G44T8C |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50495487
(CHEMBL3109134)Show InChI InChI=1S/C15H15N7O/c16-15-18-8-10(9-19-15)13-20-11-2-1-3-17-12(11)14(21-13)22-4-6-23-7-5-22/h1-3,8-9H,4-7H2,(H2,16,18,19) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ d'Orl£ans
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) after 1 hr by TR-FRET assay |
J Med Chem 57: 613-31 (2014)
Article DOI: 10.1021/jm401138v
BindingDB Entry DOI: 10.7270/Q2G44T8C |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50073943
(CHEMBL3409482)Show SMILES CN(CCO)c1cc2c(Nc3ccc4n(Cc5ccccc5)ncc4c3)ncnc2cn1 Show InChI InChI=1S/C24H23N7O/c1-30(9-10-32)23-12-20-21(14-25-23)26-16-27-24(20)29-19-7-8-22-18(11-19)13-28-31(22)15-17-5-3-2-4-6-17/h2-8,11-14,16,32H,9-10,15H2,1H3,(H,26,27,29) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ d'Orl£ans
Curated by ChEMBL
| Assay Description
Inhibition of ErbB-2 intracellular domain (unknown origin) purified from a baculovirus expression system using Biotin-(amino hexonoic acid)-EEEEYFELV... |
Eur J Med Chem 95: 76-95 (2015)
Article DOI: 10.1016/j.ejmech.2015.03.029
BindingDB Entry DOI: 10.7270/Q2PR7XP6 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50495494
(CHEMBL3109116)Show InChI InChI=1S/C17H16N4O2/c22-13-4-1-3-12(11-13)16-19-14-5-2-6-18-15(14)17(20-16)21-7-9-23-10-8-21/h1-6,11,22H,7-10H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ d'Orl£ans
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kgamma (unknown origin) after 1 hr by TR-FRET assay |
J Med Chem 57: 613-31 (2014)
Article DOI: 10.1021/jm401138v
BindingDB Entry DOI: 10.7270/Q2G44T8C |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50495498
(CHEMBL3109146)Show SMILES O=C(Nc1ccc(cc1)-c1nc(N2CCOCC2)c2ncccc2n1)Nc1cccnc1 Show InChI InChI=1S/C23H21N7O2/c31-23(27-18-3-1-9-24-15-18)26-17-7-5-16(6-8-17)21-28-19-4-2-10-25-20(19)22(29-21)30-11-13-32-14-12-30/h1-10,15H,11-14H2,(H2,26,27,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ d'Orl£ans
Curated by ChEMBL
| Assay Description
Inhibition of mTOR (unknown origin) after 2 hrs by TR-FRET assay |
J Med Chem 57: 613-31 (2014)
Article DOI: 10.1021/jm401138v
BindingDB Entry DOI: 10.7270/Q2G44T8C |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 5 activator 1
(Homo sapiens (Human)) | BDBM50161348
(CHEMBL3785408)Show InChI InChI=1S/C17H14N4/c1-10-2-3-12-9-14-15(11-4-6-19-7-5-11)20-17(18)21-16(14)13(12)8-10/h2-8H,9H2,1H3,(H2,18,20,21) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ d'Orl£ans
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CDK5/p25 using histone H1 as substrate |
Eur J Med Chem 115: 311-25 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.072
BindingDB Entry DOI: 10.7270/Q2JM2CHT |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50495485
(CHEMBL3109143)Show SMILES Oc1cccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3ncccc3n2)c1 Show InChI InChI=1S/C24H22N6O3/c31-19-4-1-3-18(15-19)27-24(32)26-17-8-6-16(7-9-17)22-28-20-5-2-10-25-21(20)23(29-22)30-11-13-33-14-12-30/h1-10,15,31H,11-14H2,(H2,26,27,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ d'Orl£ans
Curated by ChEMBL
| Assay Description
Inhibition of mTOR (unknown origin) after 2 hrs by TR-FRET assay |
J Med Chem 57: 613-31 (2014)
Article DOI: 10.1021/jm401138v
BindingDB Entry DOI: 10.7270/Q2G44T8C |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50073943
(CHEMBL3409482)Show SMILES CN(CCO)c1cc2c(Nc3ccc4n(Cc5ccccc5)ncc4c3)ncnc2cn1 Show InChI InChI=1S/C24H23N7O/c1-30(9-10-32)23-12-20-21(14-25-23)26-16-27-24(20)29-19-7-8-22-18(11-19)13-28-31(22)15-17-5-3-2-4-6-17/h2-8,11-14,16,32H,9-10,15H2,1H3,(H,26,27,29) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ d'Orl£ans
Curated by ChEMBL
| Assay Description
Inhibition of EGFR intracellular domain (unknown origin) purified from a baculovirus expression system using Biotin-(amino hexonoic acid)-EEEEYFELVAK... |
Eur J Med Chem 95: 76-95 (2015)
Article DOI: 10.1016/j.ejmech.2015.03.029
BindingDB Entry DOI: 10.7270/Q2PR7XP6 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50495494
(CHEMBL3109116)Show InChI InChI=1S/C17H16N4O2/c22-13-4-1-3-12(11-13)16-19-14-5-2-6-18-15(14)17(20-16)21-7-9-23-10-8-21/h1-6,11,22H,7-10H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ d'Orl£ans
Curated by ChEMBL
| Assay Description
Inhibition of mTOR (unknown origin) after 2 hrs by TR-FRET assay |
J Med Chem 57: 613-31 (2014)
Article DOI: 10.1021/jm401138v
BindingDB Entry DOI: 10.7270/Q2G44T8C |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 5 activator 1
(Homo sapiens (Human)) | BDBM50399303
(CHEMBL2180844)Show InChI InChI=1S/C18H18N4O3/c23-14-8-4-9-19-16(14)21-18(25)20-12-6-3-5-11-15(12)13-7-1-2-10-22(13)17(11)24/h3-6,8-9,13,23H,1-2,7,10H2,(H2,19,20,21,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ d'Orl£ans
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CDK5/p25 using histone H1 as substrate and [gamma-33P]-ATP after 30 mins by scintillation counting |
J Med Chem 55: 9589-606 (2012)
Article DOI: 10.1021/jm3008536
BindingDB Entry DOI: 10.7270/Q28S4R2J |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 5 activator 1
(Homo sapiens (Human)) | BDBM50399312
(CHEMBL2180852)Show InChI InChI=1S/C18H17BrN4O2/c19-14-8-4-9-15(21-14)22-18(25)20-12-6-3-5-11-16(12)13-7-1-2-10-23(13)17(11)24/h3-6,8-9,13H,1-2,7,10H2,(H2,20,21,22,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ d'Orl£ans
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CDK5/p25 using histone H1 as substrate and [gamma-33P]-ATP after 30 mins by scintillation counting |
J Med Chem 55: 9589-606 (2012)
Article DOI: 10.1021/jm3008536
BindingDB Entry DOI: 10.7270/Q28S4R2J |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 5 activator 1
(Homo sapiens (Human)) | BDBM50161338
(CHEMBL3787480)Show InChI InChI=1S/C17H15N3O2/c1-9-2-3-10-7-13-15(12(10)6-9)19-17(18)20-16(13)14-5-4-11(8-21)22-14/h2-6,21H,7-8H2,1H3,(H2,18,19,20) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ d'Orl£ans
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CDK5/p25 using histone H1 as substrate |
Eur J Med Chem 115: 311-25 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.072
BindingDB Entry DOI: 10.7270/Q2JM2CHT |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50243145
(CHEMBL3109141)Show SMILES OCc1cccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3ncccc3n2)c1 Show InChI InChI=1S/C25H24N6O3/c32-16-17-3-1-4-20(15-17)28-25(33)27-19-8-6-18(7-9-19)23-29-21-5-2-10-26-22(21)24(30-23)31-11-13-34-14-12-31/h1-10,15,32H,11-14,16H2,(H2,27,28,33) | 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 | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ d'Orl£ans
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) after 1 hr by TR-FRET assay |
J Med Chem 57: 613-31 (2014)
Article DOI: 10.1021/jm401138v
BindingDB Entry DOI: 10.7270/Q2G44T8C |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 5 activator 1
(Homo sapiens (Human)) | BDBM50161339
(CHEMBL3787512)Show InChI InChI=1S/C15H9BrClN3O/c16-12-4-3-11(21-12)14-10-5-7-1-2-8(17)6-9(7)13(10)19-15(18)20-14/h1-4,6H,5H2,(H2,18,19,20) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ d'Orl£ans
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CDK5/p25 using histone H1 as substrate |
Eur J Med Chem 115: 311-25 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.072
BindingDB Entry DOI: 10.7270/Q2JM2CHT |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 5 activator 1
(Homo sapiens (Human)) | BDBM50161398
(CHEMBL3787292)Show InChI InChI=1S/C19H19FN4O2/c20-11-12-7-8-21-16(10-12)23-19(26)22-14-5-3-4-13-17(14)15-6-1-2-9-24(15)18(13)25/h3-5,7-8,10,15H,1-2,6,9,11H2,(H2,21,22,23,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ d'Orl£ans
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CDK5/p25 using histone H1 as substrate |
Eur J Med Chem 115: 311-25 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.072
BindingDB Entry DOI: 10.7270/Q2JM2CHT |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 5 activator 1
(Homo sapiens (Human)) | BDBM50161345
(CHEMBL3785575)Show InChI InChI=1S/C16H12BrN3O2/c1-21-9-3-2-8-6-11-14(10(8)7-9)19-16(18)20-15(11)12-4-5-13(17)22-12/h2-5,7H,6H2,1H3,(H2,18,19,20) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ d'Orl£ans
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CDK5/p25 using histone H1 as substrate |
Eur J Med Chem 115: 311-25 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.072
BindingDB Entry DOI: 10.7270/Q2JM2CHT |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50495486
(CHEMBL3109144)Show SMILES Oc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3ncccc3n2)cc1 Show InChI InChI=1S/C24H22N6O3/c31-19-9-7-18(8-10-19)27-24(32)26-17-5-3-16(4-6-17)22-28-20-2-1-11-25-21(20)23(29-22)30-12-14-33-15-13-30/h1-11,31H,12-15H2,(H2,26,27,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ d'Orl£ans
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) after 1 hr by TR-FRET assay |
J Med Chem 57: 613-31 (2014)
Article DOI: 10.1021/jm401138v
BindingDB Entry DOI: 10.7270/Q2G44T8C |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50495498
(CHEMBL3109146)Show SMILES O=C(Nc1ccc(cc1)-c1nc(N2CCOCC2)c2ncccc2n1)Nc1cccnc1 Show InChI InChI=1S/C23H21N7O2/c31-23(27-18-3-1-9-24-15-18)26-17-7-5-16(6-8-17)21-28-19-4-2-10-25-20(19)22(29-21)30-11-13-32-14-12-30/h1-10,15H,11-14H2,(H2,26,27,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ d'Orl£ans
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) after 1 hr by TR-FRET assay |
J Med Chem 57: 613-31 (2014)
Article DOI: 10.1021/jm401138v
BindingDB Entry DOI: 10.7270/Q2G44T8C |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50495486
(CHEMBL3109144)Show SMILES Oc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3ncccc3n2)cc1 Show InChI InChI=1S/C24H22N6O3/c31-19-9-7-18(8-10-19)27-24(32)26-17-5-3-16(4-6-17)22-28-20-2-1-11-25-21(20)23(29-22)30-12-14-33-15-13-30/h1-11,31H,12-15H2,(H2,26,27,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ d'Orl£ans
Curated by ChEMBL
| Assay Description
Inhibition of mTOR (unknown origin) after 2 hrs by TR-FRET assay |
J Med Chem 57: 613-31 (2014)
Article DOI: 10.1021/jm401138v
BindingDB Entry DOI: 10.7270/Q2G44T8C |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50243143
(CHEMBL3109142)Show SMILES OCc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3ncccc3n2)cc1 Show InChI InChI=1S/C25H24N6O3/c32-16-17-3-7-19(8-4-17)27-25(33)28-20-9-5-18(6-10-20)23-29-21-2-1-11-26-22(21)24(30-23)31-12-14-34-15-13-31/h1-11,32H,12-16H2,(H2,27,28,33) | 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 | 58 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ d'Orl£ans
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) after 1 hr by TR-FRET assay |
J Med Chem 57: 613-31 (2014)
Article DOI: 10.1021/jm401138v
BindingDB Entry DOI: 10.7270/Q2G44T8C |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50495487
(CHEMBL3109134)Show InChI InChI=1S/C15H15N7O/c16-15-18-8-10(9-19-15)13-20-11-2-1-3-17-12(11)14(21-13)22-4-6-23-7-5-22/h1-3,8-9H,4-7H2,(H2,16,18,19) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 59 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ d'Orl£ans
Curated by ChEMBL
| Assay Description
Inhibition of mTOR (unknown origin) after 2 hrs by TR-FRET assay |
J Med Chem 57: 613-31 (2014)
Article DOI: 10.1021/jm401138v
BindingDB Entry DOI: 10.7270/Q2G44T8C |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50495497
(CHEMBL3109115)Show InChI InChI=1S/C17H16N4O2/c22-13-4-1-3-12(11-13)15-16-14(5-2-6-18-16)19-17(20-15)21-7-9-23-10-8-21/h1-6,11,22H,7-10H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 59 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ d'Orl£ans
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) after 1 hr by TR-FRET assay |
J Med Chem 57: 613-31 (2014)
Article DOI: 10.1021/jm401138v
BindingDB Entry DOI: 10.7270/Q2G44T8C |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50495514
(CHEMBL3109126)Show InChI InChI=1S/C18H18N4O2/c23-12-13-3-1-4-14(11-13)17-20-15-5-2-6-19-16(15)18(21-17)22-7-9-24-10-8-22/h1-6,11,23H,7-10,12H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 61 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ d'Orl£ans
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) after 1 hr by TR-FRET assay |
J Med Chem 57: 613-31 (2014)
Article DOI: 10.1021/jm401138v
BindingDB Entry DOI: 10.7270/Q2G44T8C |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50243145
(CHEMBL3109141)Show SMILES OCc1cccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3ncccc3n2)c1 Show InChI InChI=1S/C25H24N6O3/c32-16-17-3-1-4-20(15-17)28-25(33)27-19-8-6-18(7-9-19)23-29-21-5-2-10-26-22(21)24(30-23)31-11-13-34-14-12-31/h1-10,15,32H,11-14,16H2,(H2,27,28,33) | 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 | 62 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ d'Orl£ans
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kgamma (unknown origin) after 1 hr by TR-FRET assay |
J Med Chem 57: 613-31 (2014)
Article DOI: 10.1021/jm401138v
BindingDB Entry DOI: 10.7270/Q2G44T8C |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 5 activator 1
(Homo sapiens (Human)) | BDBM50161344
(CHEMBL3786276)Show SMILES O=C(Nc1cc(CN2CCOCC2)ccn1)Nc1cccc2C(=O)N3CCCCC3c12 Show InChI InChI=1S/C18H15N3/c19-18-20-16(13-7-2-1-3-8-13)15-11-10-12-6-4-5-9-14(12)17(15)21-18/h1-9H,10-11H2,(H2,19,20,21) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 67 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ d'Orl£ans
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CDK5/p25 using histone H1 as substrate |
Eur J Med Chem 115: 311-25 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.072
BindingDB Entry DOI: 10.7270/Q2JM2CHT |
More data for this
Ligand-Target Pair | |
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