Found 38 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 |
|---|
DNA-dependent protein kinase catalytic subunit
(Homo sapiens (Human)) | BDBM50319926
(2-(4-ethylpiperazin-1-yl)-N-(4-(2-morpholino-4-oxo...)Show SMILES CCN1CCN(CC(=O)Nc2ccc(-c3cccc4c3oc(cc4=O)N3CCOCC3)c3sc4ccccc4c23)CC1 Show InChI InChI=1S/C33H34N4O4S/c1-2-35-12-14-36(15-13-35)21-29(39)34-26-11-10-23(33-31(26)25-6-3-4-9-28(25)42-33)22-7-5-8-24-27(38)20-30(41-32(22)24)37-16-18-40-19-17-37/h3-11,20H,2,12-19,21H2,1H3,(H,34,39) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Newcastle University
Curated by ChEMBL
| Assay Description
Inhibition of DNA-PK |
Bioorg Med Chem Lett 21: 966-70 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.047
BindingDB Entry DOI: 10.7270/Q2G73F0W |
More data for this
Ligand-Target Pair | |
DNA-dependent protein kinase catalytic subunit
(Homo sapiens (Human)) | BDBM50336025
(CHEMBL1669154 | N-(2-(cyclopropylmethoxy)-4-(2-mor...)Show SMILES O=C(CN1CCOCC1)Nc1ccc(cc1OCC1CC1)-c1cccc2c1oc(cc2=O)N1CCOCC1 Show InChI InChI=1S/C29H33N3O6/c33-25-17-28(32-10-14-36-15-11-32)38-29-22(2-1-3-23(25)29)21-6-7-24(26(16-21)37-19-20-4-5-20)30-27(34)18-31-8-12-35-13-9-31/h1-3,6-7,16-17,20H,4-5,8-15,18-19H2,(H,30,34) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Newcastle University
Curated by ChEMBL
| Assay Description
Inhibition of DNA-PK |
Bioorg Med Chem Lett 21: 966-70 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.047
BindingDB Entry DOI: 10.7270/Q2G73F0W |
More data for this
Ligand-Target Pair | |
DNA-dependent protein kinase catalytic subunit
(Homo sapiens (Human)) | BDBM50336024
(2-morpholino-N-(5-(2-morpholino-4-oxo-4H-chromen-8...)Show SMILES O=C(CN1CCOCC1)Nc1ccc(cc1-c1ccccc1)-c1cccc2c1oc(cc2=O)N1CCOCC1 Show InChI InChI=1S/C31H31N3O5/c35-28-20-30(34-13-17-38-18-14-34)39-31-24(7-4-8-25(28)31)23-9-10-27(26(19-23)22-5-2-1-3-6-22)32-29(36)21-33-11-15-37-16-12-33/h1-10,19-20H,11-18,21H2,(H,32,36) | PDB
KEGG
UniProtKB/SwissProt
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 |
Newcastle University
Curated by ChEMBL
| Assay Description
Inhibition of DNA-PK |
Bioorg Med Chem Lett 21: 966-70 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.047
BindingDB Entry DOI: 10.7270/Q2G73F0W |
More data for this
Ligand-Target Pair | |
DNA-dependent protein kinase catalytic subunit
(Homo sapiens (Human)) | BDBM50156495
(8-(dibenzo[b,d]thiophen-4-yl)-2-morpholino-4H-chro...)Show SMILES O=c1cc(oc2c(cccc12)-c1cccc2c3ccccc3sc12)N1CCOCC1 Show InChI InChI=1S/C25H19NO3S/c27-21-15-23(26-11-13-28-14-12-26)29-24-17(6-3-9-20(21)24)19-8-4-7-18-16-5-1-2-10-22(16)30-25(18)19/h1-10,15H,11-14H2 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Newcastle University
Curated by ChEMBL
| Assay Description
Inhibition of DNA-PK |
Bioorg Med Chem Lett 21: 966-70 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.047
BindingDB Entry DOI: 10.7270/Q2G73F0W |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50336025
(CHEMBL1669154 | N-(2-(cyclopropylmethoxy)-4-(2-mor...)Show SMILES O=C(CN1CCOCC1)Nc1ccc(cc1OCC1CC1)-c1cccc2c1oc(cc2=O)N1CCOCC1 Show InChI InChI=1S/C29H33N3O6/c33-25-17-28(32-10-14-36-15-11-32)38-29-22(2-1-3-23(25)29)21-6-7-24(26(16-21)37-19-20-4-5-20)30-27(34)18-31-8-12-35-13-9-31/h1-3,6-7,16-17,20H,4-5,8-15,18-19H2,(H,30,34) | 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 | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Newcastle University
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha after 80 mins |
Bioorg Med Chem Lett 21: 966-70 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.047
BindingDB Entry DOI: 10.7270/Q2G73F0W |
More data for this
Ligand-Target Pair | |
DNA-dependent protein kinase catalytic subunit
(Homo sapiens (Human)) | BDBM50336028
(CHEMBL1669157 | N-(2-hydroxy-4-(2-morpholino-4-oxo...)Show SMILES Oc1cc(ccc1NC(=O)CN1CCOCC1)-c1cccc2c1oc(cc2=O)N1CCOCC1 Show InChI InChI=1S/C25H27N3O6/c29-21-15-24(28-8-12-33-13-9-28)34-25-18(2-1-3-19(21)25)17-4-5-20(22(30)14-17)26-23(31)16-27-6-10-32-11-7-27/h1-5,14-15,30H,6-13,16H2,(H,26,31) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Newcastle University
Curated by ChEMBL
| Assay Description
Inhibition of DNA-PK |
Bioorg Med Chem Lett 21: 966-70 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.047
BindingDB Entry DOI: 10.7270/Q2G73F0W |
More data for this
Ligand-Target Pair | |
DNA-dependent protein kinase catalytic subunit
(Homo sapiens (Human)) | BDBM50336038
(CHEMBL1669167 | N-(2-((1-methylcyclobutyl)methoxy)...)Show SMILES CC1(COc2cc(ccc2NC(=O)CN2CCOCC2)-c2cccc3c2oc(cc3=O)N2CCOCC2)CCC1 Show InChI InChI=1S/C31H37N3O6/c1-31(8-3-9-31)21-39-27-18-22(6-7-25(27)32-28(36)20-33-10-14-37-15-11-33)23-4-2-5-24-26(35)19-29(40-30(23)24)34-12-16-38-17-13-34/h2,4-7,18-19H,3,8-17,20-21H2,1H3,(H,32,36) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Newcastle University
Curated by ChEMBL
| Assay Description
Inhibition of DNA-PK |
Bioorg Med Chem Lett 21: 966-70 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.047
BindingDB Entry DOI: 10.7270/Q2G73F0W |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50156495
(8-(dibenzo[b,d]thiophen-4-yl)-2-morpholino-4H-chro...)Show SMILES O=c1cc(oc2c(cccc12)-c1cccc2c3ccccc3sc12)N1CCOCC1 Show InChI InChI=1S/C25H19NO3S/c27-21-15-23(26-11-13-28-14-12-26)29-24-17(6-3-9-20(21)24)19-8-4-7-18-16-5-1-2-10-22(16)30-25(18)19/h1-10,15H,11-14H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Newcastle University
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha after 80 mins |
Bioorg Med Chem Lett 21: 966-70 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.047
BindingDB Entry DOI: 10.7270/Q2G73F0W |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50336031
(CHEMBL1669160 | N-(2-isobutoxy-4-(2-morpholino-4-o...)Show SMILES CC(C)COc1cc(ccc1NC(=O)CN1CCOCC1)-c1cccc2c1oc(cc2=O)N1CCOCC1 Show InChI InChI=1S/C29H35N3O6/c1-20(2)19-37-26-16-21(6-7-24(26)30-27(34)18-31-8-12-35-13-9-31)22-4-3-5-23-25(33)17-28(38-29(22)23)32-10-14-36-15-11-32/h3-7,16-17,20H,8-15,18-19H2,1-2H3,(H,30,34) | 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 | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Newcastle University
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha after 80 mins |
Bioorg Med Chem Lett 21: 966-70 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.047
BindingDB Entry DOI: 10.7270/Q2G73F0W |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50336032
(CHEMBL1669161 | N-(2-(allyloxy)-4-(2-morpholino-4-...)Show SMILES C=CCOc1cc(ccc1NC(=O)CN1CCOCC1)-c1cccc2c1oc(cc2=O)N1CCOCC1 Show InChI InChI=1S/C28H31N3O6/c1-2-12-36-25-17-20(6-7-23(25)29-26(33)19-30-8-13-34-14-9-30)21-4-3-5-22-24(32)18-27(37-28(21)22)31-10-15-35-16-11-31/h2-7,17-18H,1,8-16,19H2,(H,29,33) | 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 | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Newcastle University
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha after 80 mins |
Bioorg Med Chem Lett 21: 966-70 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.047
BindingDB Entry DOI: 10.7270/Q2G73F0W |
More data for this
Ligand-Target Pair | |
DNA-dependent protein kinase catalytic subunit
(Homo sapiens (Human)) | BDBM50336036
(CHEMBL1669165 | N-(2-(cyclobutylmethoxy)-4-(2-morp...)Show SMILES O=C(CN1CCOCC1)Nc1ccc(cc1OCC1CCC1)-c1cccc2c1oc(cc2=O)N1CCOCC1 Show InChI InChI=1S/C30H35N3O6/c34-26-18-29(33-11-15-37-16-12-33)39-30-23(5-2-6-24(26)30)22-7-8-25(27(17-22)38-20-21-3-1-4-21)31-28(35)19-32-9-13-36-14-10-32/h2,5-8,17-18,21H,1,3-4,9-16,19-20H2,(H,31,35) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Newcastle University
Curated by ChEMBL
| Assay Description
Inhibition of DNA-PK |
Bioorg Med Chem Lett 21: 966-70 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.047
BindingDB Entry DOI: 10.7270/Q2G73F0W |
More data for this
Ligand-Target Pair | |
DNA-dependent protein kinase catalytic subunit
(Homo sapiens (Human)) | BDBM50336032
(CHEMBL1669161 | N-(2-(allyloxy)-4-(2-morpholino-4-...)Show SMILES C=CCOc1cc(ccc1NC(=O)CN1CCOCC1)-c1cccc2c1oc(cc2=O)N1CCOCC1 Show InChI InChI=1S/C28H31N3O6/c1-2-12-36-25-17-20(6-7-23(25)29-26(33)19-30-8-13-34-14-9-30)21-4-3-5-22-24(32)18-27(37-28(21)22)31-10-15-35-16-11-31/h2-7,17-18H,1,8-16,19H2,(H,29,33) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
Newcastle University
Curated by ChEMBL
| Assay Description
Inhibition of DNA-PK |
Bioorg Med Chem Lett 21: 966-70 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.047
BindingDB Entry DOI: 10.7270/Q2G73F0W |
More data for this
Ligand-Target Pair | |
DNA-dependent protein kinase catalytic subunit
(Homo sapiens (Human)) | BDBM50336031
(CHEMBL1669160 | N-(2-isobutoxy-4-(2-morpholino-4-o...)Show SMILES CC(C)COc1cc(ccc1NC(=O)CN1CCOCC1)-c1cccc2c1oc(cc2=O)N1CCOCC1 Show InChI InChI=1S/C29H35N3O6/c1-20(2)19-37-26-16-21(6-7-24(26)30-27(34)18-31-8-12-35-13-9-31)22-4-3-5-23-25(33)17-28(38-29(22)23)32-10-14-36-15-11-32/h3-7,16-17,20H,8-15,18-19H2,1-2H3,(H,30,34) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Newcastle University
Curated by ChEMBL
| Assay Description
Inhibition of DNA-PK |
Bioorg Med Chem Lett 21: 966-70 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.047
BindingDB Entry DOI: 10.7270/Q2G73F0W |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50336038
(CHEMBL1669167 | N-(2-((1-methylcyclobutyl)methoxy)...)Show SMILES CC1(COc2cc(ccc2NC(=O)CN2CCOCC2)-c2cccc3c2oc(cc3=O)N2CCOCC2)CCC1 Show InChI InChI=1S/C31H37N3O6/c1-31(8-3-9-31)21-39-27-18-22(6-7-25(27)32-28(36)20-33-10-14-37-15-11-33)23-4-2-5-24-26(35)19-29(40-30(23)24)34-12-16-38-17-13-34/h2,4-7,18-19H,3,8-17,20-21H2,1H3,(H,32,36) | 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 | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
Newcastle University
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha after 80 mins |
Bioorg Med Chem Lett 21: 966-70 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.047
BindingDB Entry DOI: 10.7270/Q2G73F0W |
More data for this
Ligand-Target Pair | |
DNA-dependent protein kinase catalytic subunit
(Homo sapiens (Human)) | BDBM50336029
(CHEMBL1669158 | N-(2-ethoxy-4-(2-morpholino-4-oxo-...)Show SMILES CCOc1cc(ccc1NC(=O)CN1CCOCC1)-c1cccc2c1oc(cc2=O)N1CCOCC1 Show InChI InChI=1S/C27H31N3O6/c1-2-35-24-16-19(6-7-22(24)28-25(32)18-29-8-12-33-13-9-29)20-4-3-5-21-23(31)17-26(36-27(20)21)30-10-14-34-15-11-30/h3-7,16-17H,2,8-15,18H2,1H3,(H,28,32) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
Newcastle University
Curated by ChEMBL
| Assay Description
Inhibition of DNA-PK |
Bioorg Med Chem Lett 21: 966-70 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.047
BindingDB Entry DOI: 10.7270/Q2G73F0W |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50336036
(CHEMBL1669165 | N-(2-(cyclobutylmethoxy)-4-(2-morp...)Show SMILES O=C(CN1CCOCC1)Nc1ccc(cc1OCC1CCC1)-c1cccc2c1oc(cc2=O)N1CCOCC1 Show InChI InChI=1S/C30H35N3O6/c34-26-18-29(33-11-15-37-16-12-33)39-30-23(5-2-6-24(26)30)22-7-8-25(27(17-22)38-20-21-3-1-4-21)31-28(35)19-32-9-13-36-14-10-32/h2,5-8,17-18,21H,1,3-4,9-16,19-20H2,(H,31,35) | 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 | 290 | n/a | n/a | n/a | n/a | n/a | n/a |
Newcastle University
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha after 80 mins |
Bioorg Med Chem Lett 21: 966-70 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.047
BindingDB Entry DOI: 10.7270/Q2G73F0W |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50336030
(CHEMBL1669159 | N-(2-isopropoxy-4-(2-morpholino-4-...)Show SMILES CC(C)Oc1cc(ccc1NC(=O)CN1CCOCC1)-c1cccc2c1oc(cc2=O)N1CCOCC1 Show InChI InChI=1S/C28H33N3O6/c1-19(2)36-25-16-20(6-7-23(25)29-26(33)18-30-8-12-34-13-9-30)21-4-3-5-22-24(32)17-27(37-28(21)22)31-10-14-35-15-11-31/h3-7,16-17,19H,8-15,18H2,1-2H3,(H,29,33) | 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 | 290 | n/a | n/a | n/a | n/a | n/a | n/a |
Newcastle University
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha after 80 mins |
Bioorg Med Chem Lett 21: 966-70 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.047
BindingDB Entry DOI: 10.7270/Q2G73F0W |
More data for this
Ligand-Target Pair | |
DNA-dependent protein kinase catalytic subunit
(Homo sapiens (Human)) | BDBM50336027
(CHEMBL1669156 | N-(2-methoxy-4-(2-morpholino-4-oxo...)Show SMILES COc1cc(ccc1NC(=O)CN1CCOCC1)-c1cccc2c1oc(cc2=O)N1CCOCC1 Show InChI InChI=1S/C26H29N3O6/c1-32-23-15-18(5-6-21(23)27-24(31)17-28-7-11-33-12-8-28)19-3-2-4-20-22(30)16-25(35-26(19)20)29-9-13-34-14-10-29/h2-6,15-16H,7-14,17H2,1H3,(H,27,31) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 290 | n/a | n/a | n/a | n/a | n/a | n/a |
Newcastle University
Curated by ChEMBL
| Assay Description
Inhibition of DNA-PK |
Bioorg Med Chem Lett 21: 966-70 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.047
BindingDB Entry DOI: 10.7270/Q2G73F0W |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50336026
(CHEMBL1669155 | N-(2-((3-methyloxetan-3-yl)methoxy...)Show SMILES CC1(COc2cc(ccc2NC(=O)CN2CCOCC2)-c2cccc3c2oc(cc3=O)N2CCOCC2)COC1 Show InChI InChI=1S/C30H35N3O7/c1-30(18-38-19-30)20-39-26-15-21(5-6-24(26)31-27(35)17-32-7-11-36-12-8-32)22-3-2-4-23-25(34)16-28(40-29(22)23)33-9-13-37-14-10-33/h2-6,15-16H,7-14,17-20H2,1H3,(H,31,35) | 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 | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Newcastle University
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha after 80 mins |
Bioorg Med Chem Lett 21: 966-70 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.047
BindingDB Entry DOI: 10.7270/Q2G73F0W |
More data for this
Ligand-Target Pair | |
DNA-dependent protein kinase catalytic subunit
(Homo sapiens (Human)) | BDBM50336030
(CHEMBL1669159 | N-(2-isopropoxy-4-(2-morpholino-4-...)Show SMILES CC(C)Oc1cc(ccc1NC(=O)CN1CCOCC1)-c1cccc2c1oc(cc2=O)N1CCOCC1 Show InChI InChI=1S/C28H33N3O6/c1-19(2)36-25-16-20(6-7-23(25)29-26(33)18-30-8-12-34-13-9-30)21-4-3-5-22-24(32)17-27(37-28(21)22)31-10-14-35-15-11-31/h3-7,16-17,19H,8-15,18H2,1-2H3,(H,29,33) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 330 | n/a | n/a | n/a | n/a | n/a | n/a |
Newcastle University
Curated by ChEMBL
| Assay Description
Inhibition of DNA-PK |
Bioorg Med Chem Lett 21: 966-70 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.047
BindingDB Entry DOI: 10.7270/Q2G73F0W |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50336027
(CHEMBL1669156 | N-(2-methoxy-4-(2-morpholino-4-oxo...)Show SMILES COc1cc(ccc1NC(=O)CN1CCOCC1)-c1cccc2c1oc(cc2=O)N1CCOCC1 Show InChI InChI=1S/C26H29N3O6/c1-32-23-15-18(5-6-21(23)27-24(31)17-28-7-11-33-12-8-28)19-3-2-4-20-22(30)16-25(35-26(19)20)29-9-13-34-14-10-29/h2-6,15-16H,7-14,17H2,1H3,(H,27,31) | 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 | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
Newcastle University
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha after 80 mins |
Bioorg Med Chem Lett 21: 966-70 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.047
BindingDB Entry DOI: 10.7270/Q2G73F0W |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50336037
(CHEMBL1669166 | N-(2-(2-cyclopropylethoxy)-4-(2-mo...)Show SMILES O=C(CN1CCOCC1)Nc1ccc(cc1OCCC1CC1)-c1cccc2c1oc(cc2=O)N1CCOCC1 Show InChI InChI=1S/C30H35N3O6/c34-26-19-29(33-11-16-37-17-12-33)39-30-23(2-1-3-24(26)30)22-6-7-25(27(18-22)38-13-8-21-4-5-21)31-28(35)20-32-9-14-36-15-10-32/h1-3,6-7,18-19,21H,4-5,8-17,20H2,(H,31,35) | 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 | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Newcastle University
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha after 80 mins |
Bioorg Med Chem Lett 21: 966-70 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.047
BindingDB Entry DOI: 10.7270/Q2G73F0W |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50336028
(CHEMBL1669157 | N-(2-hydroxy-4-(2-morpholino-4-oxo...)Show SMILES Oc1cc(ccc1NC(=O)CN1CCOCC1)-c1cccc2c1oc(cc2=O)N1CCOCC1 Show InChI InChI=1S/C25H27N3O6/c29-21-15-24(28-8-12-33-13-9-28)34-25-18(2-1-3-19(21)25)17-4-5-20(22(30)14-17)26-23(31)16-27-6-10-32-11-7-27/h1-5,14-15,30H,6-13,16H2,(H,26,31) | 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 | 430 | n/a | n/a | n/a | n/a | n/a | n/a |
Newcastle University
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha after 80 mins |
Bioorg Med Chem Lett 21: 966-70 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.047
BindingDB Entry DOI: 10.7270/Q2G73F0W |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50336029
(CHEMBL1669158 | N-(2-ethoxy-4-(2-morpholino-4-oxo-...)Show SMILES CCOc1cc(ccc1NC(=O)CN1CCOCC1)-c1cccc2c1oc(cc2=O)N1CCOCC1 Show InChI InChI=1S/C27H31N3O6/c1-2-35-24-16-19(6-7-22(24)28-25(32)18-29-8-12-33-13-9-29)20-4-3-5-21-23(31)17-26(36-27(20)21)30-10-14-34-15-11-30/h3-7,16-17H,2,8-15,18H2,1H3,(H,28,32) | 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 | 470 | n/a | n/a | n/a | n/a | n/a | n/a |
Newcastle University
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha after 80 mins |
Bioorg Med Chem Lett 21: 966-70 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.047
BindingDB Entry DOI: 10.7270/Q2G73F0W |
More data for this
Ligand-Target Pair | |
DNA-dependent protein kinase catalytic subunit
(Homo sapiens (Human)) | BDBM50336037
(CHEMBL1669166 | N-(2-(2-cyclopropylethoxy)-4-(2-mo...)Show SMILES O=C(CN1CCOCC1)Nc1ccc(cc1OCCC1CC1)-c1cccc2c1oc(cc2=O)N1CCOCC1 Show InChI InChI=1S/C30H35N3O6/c34-26-19-29(33-11-16-37-17-12-33)39-30-23(2-1-3-24(26)30)22-6-7-25(27(18-22)38-13-8-21-4-5-21)31-28(35)20-32-9-14-36-15-10-32/h1-3,6-7,18-19,21H,4-5,8-17,20H2,(H,31,35) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Newcastle University
Curated by ChEMBL
| Assay Description
Inhibition of DNA-PK |
Bioorg Med Chem Lett 21: 966-70 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.047
BindingDB Entry DOI: 10.7270/Q2G73F0W |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM12915
(2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one |...)Show InChI InChI=1S/C19H17NO3/c21-17-13-18(20-9-11-22-12-10-20)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13H,9-12H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Newcastle University
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha after 80 mins |
Bioorg Med Chem Lett 21: 966-70 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.047
BindingDB Entry DOI: 10.7270/Q2G73F0W |
More data for this
Ligand-Target Pair | |
DNA-dependent protein kinase catalytic subunit
(Homo sapiens (Human)) | BDBM50336026
(CHEMBL1669155 | N-(2-((3-methyloxetan-3-yl)methoxy...)Show SMILES CC1(COc2cc(ccc2NC(=O)CN2CCOCC2)-c2cccc3c2oc(cc3=O)N2CCOCC2)COC1 Show InChI InChI=1S/C30H35N3O7/c1-30(18-38-19-30)20-39-26-15-21(5-6-24(26)31-27(35)17-32-7-11-36-12-8-32)22-3-2-4-23-25(34)16-28(40-29(22)23)33-9-13-37-14-10-33/h2-6,15-16H,7-14,17-20H2,1H3,(H,31,35) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 690 | n/a | n/a | n/a | n/a | n/a | n/a |
Newcastle University
Curated by ChEMBL
| Assay Description
Inhibition of DNA-PK |
Bioorg Med Chem Lett 21: 966-70 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.047
BindingDB Entry DOI: 10.7270/Q2G73F0W |
More data for this
Ligand-Target Pair | |
DNA-dependent protein kinase catalytic subunit
(Homo sapiens (Human)) | BDBM50336039
(CHEMBL1669168 | N-(2-(2-hydroxyethoxy)-4-(2-morpho...)Show SMILES OCCOc1cc(ccc1NC(=O)CN1CCOCC1)-c1cccc2c1oc(cc2=O)N1CCOCC1 Show InChI InChI=1S/C27H31N3O7/c31-10-15-36-24-16-19(4-5-22(24)28-25(33)18-29-6-11-34-12-7-29)20-2-1-3-21-23(32)17-26(37-27(20)21)30-8-13-35-14-9-30/h1-5,16-17,31H,6-15,18H2,(H,28,33) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Newcastle University
Curated by ChEMBL
| Assay Description
Inhibition of DNA-PK |
Bioorg Med Chem Lett 21: 966-70 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.047
BindingDB Entry DOI: 10.7270/Q2G73F0W |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50336033
(CHEMBL1669162 | N-(2-(2-amino-2-oxoethoxy)-4-(2-mo...)Show SMILES NC(=O)COc1cc(ccc1NC(=O)CN1CCOCC1)-c1cccc2c1oc(cc2=O)N1CCOCC1 Show InChI InChI=1S/C27H30N4O7/c28-24(33)17-37-23-14-18(4-5-21(23)29-25(34)16-30-6-10-35-11-7-30)19-2-1-3-20-22(32)15-26(38-27(19)20)31-8-12-36-13-9-31/h1-5,14-15H,6-13,16-17H2,(H2,28,33)(H,29,34) | 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 | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Newcastle University
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha after 80 mins |
Bioorg Med Chem Lett 21: 966-70 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.047
BindingDB Entry DOI: 10.7270/Q2G73F0W |
More data for this
Ligand-Target Pair | |
DNA-dependent protein kinase catalytic subunit
(Homo sapiens (Human)) | BDBM12915
(2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one |...)Show InChI InChI=1S/C19H17NO3/c21-17-13-18(20-9-11-22-12-10-20)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13H,9-12H2 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Newcastle University
Curated by ChEMBL
| Assay Description
Inhibition of DNA-PK |
Bioorg Med Chem Lett 21: 966-70 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.047
BindingDB Entry DOI: 10.7270/Q2G73F0W |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50336034
(CHEMBL1669163 | N-(2-(2-methoxyethoxy)-4-(2-morpho...)Show SMILES COCCOc1cc(ccc1NC(=O)CN1CCOCC1)-c1cccc2c1oc(cc2=O)N1CCOCC1 Show InChI InChI=1S/C28H33N3O7/c1-34-15-16-37-25-17-20(5-6-23(25)29-26(33)19-30-7-11-35-12-8-30)21-3-2-4-22-24(32)18-27(38-28(21)22)31-9-13-36-14-10-31/h2-6,17-18H,7-16,19H2,1H3,(H,29,33) | 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 | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Newcastle University
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha after 80 mins |
Bioorg Med Chem Lett 21: 966-70 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.047
BindingDB Entry DOI: 10.7270/Q2G73F0W |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50336039
(CHEMBL1669168 | N-(2-(2-hydroxyethoxy)-4-(2-morpho...)Show SMILES OCCOc1cc(ccc1NC(=O)CN1CCOCC1)-c1cccc2c1oc(cc2=O)N1CCOCC1 Show InChI InChI=1S/C27H31N3O7/c31-10-15-36-24-16-19(4-5-22(24)28-25(33)18-29-6-11-34-12-7-29)20-2-1-3-21-23(32)17-26(37-27(20)21)30-8-13-35-14-9-30/h1-5,16-17,31H,6-15,18H2,(H,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 | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Newcastle University
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha after 80 mins |
Bioorg Med Chem Lett 21: 966-70 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.047
BindingDB Entry DOI: 10.7270/Q2G73F0W |
More data for this
Ligand-Target Pair | |
DNA-dependent protein kinase catalytic subunit
(Homo sapiens (Human)) | BDBM50336034
(CHEMBL1669163 | N-(2-(2-methoxyethoxy)-4-(2-morpho...)Show SMILES COCCOc1cc(ccc1NC(=O)CN1CCOCC1)-c1cccc2c1oc(cc2=O)N1CCOCC1 Show InChI InChI=1S/C28H33N3O7/c1-34-15-16-37-25-17-20(5-6-23(25)29-26(33)19-30-7-11-35-12-8-30)21-3-2-4-22-24(32)18-27(38-28(21)22)31-9-13-36-14-10-31/h2-6,17-18H,7-16,19H2,1H3,(H,29,33) | PDB
KEGG
UniProtKB/SwissProt
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 |
Newcastle University
Curated by ChEMBL
| Assay Description
Inhibition of DNA-PK |
Bioorg Med Chem Lett 21: 966-70 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.047
BindingDB Entry DOI: 10.7270/Q2G73F0W |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50336040
(CHEMBL1669169 | N-(2-(2-aminoethoxy)-4-(2-morpholi...)Show SMILES NCCOc1cc(ccc1NC(=O)CN1CCOCC1)-c1cccc2c1oc(cc2=O)N1CCOCC1 Show InChI InChI=1S/C27H32N4O6/c28-6-11-36-24-16-19(4-5-22(24)29-25(33)18-30-7-12-34-13-8-30)20-2-1-3-21-23(32)17-26(37-27(20)21)31-9-14-35-15-10-31/h1-5,16-17H,6-15,18,28H2,(H,29,33) | 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 | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Newcastle University
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha after 80 mins |
Bioorg Med Chem Lett 21: 966-70 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.047
BindingDB Entry DOI: 10.7270/Q2G73F0W |
More data for this
Ligand-Target Pair | |
DNA-dependent protein kinase catalytic subunit
(Homo sapiens (Human)) | BDBM50336033
(CHEMBL1669162 | N-(2-(2-amino-2-oxoethoxy)-4-(2-mo...)Show SMILES NC(=O)COc1cc(ccc1NC(=O)CN1CCOCC1)-c1cccc2c1oc(cc2=O)N1CCOCC1 Show InChI InChI=1S/C27H30N4O7/c28-24(33)17-37-23-14-18(4-5-21(23)29-25(34)16-30-6-10-35-11-7-30)19-2-1-3-20-22(32)15-26(38-27(19)20)31-8-12-36-13-9-31/h1-5,14-15H,6-13,16-17H2,(H2,28,33)(H,29,34) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Newcastle University
Curated by ChEMBL
| Assay Description
Inhibition of DNA-PK |
Bioorg Med Chem Lett 21: 966-70 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.047
BindingDB Entry DOI: 10.7270/Q2G73F0W |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50336035
(2-morpholino-N-(4-(2-morpholino-4-oxo-4H-chromen-8...)Show SMILES O=C(CN1CCOCC1)Nc1ccc(cc1OCCN1CCCC1)-c1cccc2c1oc(cc2=O)N1CCOCC1 Show InChI InChI=1S/C31H38N4O6/c36-27-21-30(35-13-17-39-18-14-35)41-31-24(4-3-5-25(27)31)23-6-7-26(32-29(37)22-34-10-15-38-16-11-34)28(20-23)40-19-12-33-8-1-2-9-33/h3-7,20-21H,1-2,8-19,22H2,(H,32,37) | 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 | 4.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Newcastle University
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha after 80 mins |
Bioorg Med Chem Lett 21: 966-70 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.047
BindingDB Entry DOI: 10.7270/Q2G73F0W |
More data for this
Ligand-Target Pair | |
DNA-dependent protein kinase catalytic subunit
(Homo sapiens (Human)) | BDBM50336035
(2-morpholino-N-(4-(2-morpholino-4-oxo-4H-chromen-8...)Show SMILES O=C(CN1CCOCC1)Nc1ccc(cc1OCCN1CCCC1)-c1cccc2c1oc(cc2=O)N1CCOCC1 Show InChI InChI=1S/C31H38N4O6/c36-27-21-30(35-13-17-39-18-14-35)41-31-24(4-3-5-25(27)31)23-6-7-26(32-29(37)22-34-10-15-38-16-11-34)28(20-23)40-19-12-33-8-1-2-9-33/h3-7,20-21H,1-2,8-19,22H2,(H,32,37) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Newcastle University
Curated by ChEMBL
| Assay Description
Inhibition of DNA-PK |
Bioorg Med Chem Lett 21: 966-70 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.047
BindingDB Entry DOI: 10.7270/Q2G73F0W |
More data for this
Ligand-Target Pair | |
DNA-dependent protein kinase catalytic subunit
(Homo sapiens (Human)) | BDBM50336040
(CHEMBL1669169 | N-(2-(2-aminoethoxy)-4-(2-morpholi...)Show SMILES NCCOc1cc(ccc1NC(=O)CN1CCOCC1)-c1cccc2c1oc(cc2=O)N1CCOCC1 Show InChI InChI=1S/C27H32N4O6/c28-6-11-36-24-16-19(4-5-22(24)29-25(33)18-30-7-12-34-13-8-30)20-2-1-3-21-23(32)17-26(37-27(20)21)31-9-14-35-15-10-31/h1-5,16-17H,6-15,18,28H2,(H,29,33) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Newcastle University
Curated by ChEMBL
| Assay Description
Inhibition of DNA-PK |
Bioorg Med Chem Lett 21: 966-70 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.047
BindingDB Entry DOI: 10.7270/Q2G73F0W |
More data for this
Ligand-Target Pair | |
Search and Browse
