Found 35 hits with Last Name = 'pannifer' and Initial = 'ad' 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 |
|---|
Aurora kinase A
(Homo sapiens (Human)) | BDBM12407
(3-chloro-N-[5-({6-methoxy-7-[3-(morpholin-4-yl)pro...)Show SMILES COc1cc2c(Nc3cnc(NC(=O)c4cccc(Cl)c4)nc3)ncnc2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C27H28ClN7O4/c1-37-23-13-21-22(14-24(23)39-9-3-6-35-7-10-38-11-8-35)31-17-32-25(21)33-20-15-29-27(30-16-20)34-26(36)18-4-2-5-19(28)12-18/h2,4-5,12-17H,3,6-11H2,1H3,(H,31,32,33)(H,29,30,34,36) | 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 | <0.100 | n/a | n/a | n/a | n/a | 7.5 | 22 |
AstraZeneca
| Assay Description
In vitro kinase assay using recombinant Aurora A purified from Sf9 cells, was incubated at room temperature with substrate, and test compounds in the... |
Bioorg Med Chem Lett 16: 1320-23 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.053
BindingDB Entry DOI: 10.7270/Q2WH2N7M |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM12408
(3-chloro-4-fluoro-N-[5-({6-methoxy-7-[3-(morpholin...)Show SMILES COc1cc2c(Nc3cnc(NC(=O)c4ccc(F)c(Cl)c4)nc3)ncnc2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C27H27ClFN7O4/c1-38-23-12-19-22(13-24(23)40-8-2-5-36-6-9-39-10-7-36)32-16-33-25(19)34-18-14-30-27(31-15-18)35-26(37)17-3-4-21(29)20(28)11-17/h3-4,11-16H,2,5-10H2,1H3,(H,32,33,34)(H,30,31,35,37) | 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 | 0.150 | n/a | n/a | n/a | n/a | 7.5 | 22 |
AstraZeneca
| Assay Description
In vitro kinase assay using recombinant Aurora A purified from Sf9 cells, was incubated at room temperature with substrate, and test compounds in the... |
Bioorg Med Chem Lett 16: 1320-23 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.053
BindingDB Entry DOI: 10.7270/Q2WH2N7M |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM12405
(CHEMBL381724 | N-[5-({6-methoxy-7-[3-(morpholin-4-...)Show SMILES COc1cc2c(Nc3cnc(NC(=O)c4ccccc4)nc3)ncnc2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C27H29N7O4/c1-36-23-14-21-22(15-24(23)38-11-5-8-34-9-12-37-13-10-34)30-18-31-25(21)32-20-16-28-27(29-17-20)33-26(35)19-6-3-2-4-7-19/h2-4,6-7,14-18H,5,8-13H2,1H3,(H,30,31,32)(H,28,29,33,35) | 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 | 3 | n/a | n/a | n/a | n/a | 7.5 | 22 |
AstraZeneca
| Assay Description
In vitro kinase assay using recombinant Aurora A purified from Sf9 cells, was incubated at room temperature with substrate, and test compounds in the... |
Bioorg Med Chem Lett 16: 1320-23 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.053
BindingDB Entry DOI: 10.7270/Q2WH2N7M |
More data for this
Ligand-Target Pair | |
Glycogen phosphorylase, liver form
(Homo sapiens (Human)) | BDBM50194411
((S)-2,3-dichloro-N-(1-(dimethylamino)-1-oxo-3-phen...)Show SMILES CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2sc(Cl)c(Cl)c2[nH]1 Show InChI InChI=1S/C18H17Cl2N3O2S/c1-23(2)18(25)12(8-10-6-4-3-5-7-10)22-17(24)11-9-13-15(21-11)14(19)16(20)26-13/h3-7,9,12,21H,8H2,1-2H3,(H,22,24)/t12-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human liver GPa by multienzyme coupled assay |
Bioorg Med Chem Lett 16: 5567-71 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.047
BindingDB Entry DOI: 10.7270/Q2KW5FP3 |
More data for this
Ligand-Target Pair | |
Glycogen phosphorylase, liver form
(Homo sapiens (Human)) | BDBM50194415
(2,3-dichloro-N-((1R,2R)-1-hydroxy-2,3-dihydro-1H-i...)Show SMILES O[C@H]1[C@@H](Cc2ccccc12)NC(=O)c1cc2sc(Cl)c(Cl)c2[nH]1 Show InChI InChI=1S/C16H12Cl2N2O2S/c17-12-13-11(23-15(12)18)6-10(19-13)16(22)20-9-5-7-3-1-2-4-8(7)14(9)21/h1-4,6,9,14,19,21H,5H2,(H,20,22)/t9-,14-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human liver GPa by multienzyme coupled assay |
Bioorg Med Chem Lett 16: 5567-71 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.047
BindingDB Entry DOI: 10.7270/Q2KW5FP3 |
More data for this
Ligand-Target Pair | |
Glycogen phosphorylase, liver form
(Homo sapiens (Human)) | BDBM50194414
((S)-2-chloro-N-(1-(dimethylamino)-1-oxo-3-phenylpr...)Show SMILES CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)sc2[nH]1 Show InChI InChI=1S/C18H18ClN3O2S/c1-22(2)18(24)14(8-11-6-4-3-5-7-11)20-16(23)13-9-12-10-15(19)25-17(12)21-13/h3-7,9-10,14,21H,8H2,1-2H3,(H,20,23)/t14-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human liver GPa by multienzyme coupled assay |
Bioorg Med Chem Lett 16: 5567-71 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.047
BindingDB Entry DOI: 10.7270/Q2KW5FP3 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM12413
(CHEMBL204318 | N-[5-({6-methoxy-7-[3-(morpholin-4-...)Show SMILES CCCCC(=O)Nc1ncc(Nc2ncnc3cc(OCCCN4CCOCC4)c(OC)cc23)cn1 Show InChI InChI=1S/C25H33N7O4/c1-3-4-6-23(33)31-25-26-15-18(16-27-25)30-24-19-13-21(34-2)22(14-20(19)28-17-29-24)36-10-5-7-32-8-11-35-12-9-32/h13-17H,3-12H2,1-2H3,(H,28,29,30)(H,26,27,31,33) | 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 | 17 | n/a | n/a | n/a | n/a | 7.5 | 22 |
AstraZeneca
| Assay Description
In vitro kinase assay using recombinant Aurora A purified from Sf9 cells, was incubated at room temperature with substrate, and test compounds in the... |
Bioorg Med Chem Lett 16: 1320-23 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.053
BindingDB Entry DOI: 10.7270/Q2WH2N7M |
More data for this
Ligand-Target Pair | |
Glycogen phosphorylase, liver form
(Homo sapiens (Human)) | BDBM50194420
((S)-2,3-dibromo-N-(1-(dimethylamino)-1-oxo-3-pheny...)Show SMILES CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2sc(Br)c(Br)c2[nH]1 Show InChI InChI=1S/C18H17Br2N3O2S/c1-23(2)18(25)12(8-10-6-4-3-5-7-10)22-17(24)11-9-13-15(21-11)14(19)16(20)26-13/h3-7,9,12,21H,8H2,1-2H3,(H,22,24)/t12-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human liver GPa by multienzyme coupled assay |
Bioorg Med Chem Lett 16: 5567-71 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.047
BindingDB Entry DOI: 10.7270/Q2KW5FP3 |
More data for this
Ligand-Target Pair | |
Glycogen phosphorylase, liver form
(Homo sapiens (Human)) | BDBM50194417
((S)-2-bromo-N-(1-(dimethylamino)-1-oxo-3-phenylpro...)Show SMILES CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(Br)sc2[nH]1 Show InChI InChI=1S/C18H18BrN3O2S/c1-22(2)18(24)14(8-11-6-4-3-5-7-11)20-16(23)13-9-12-10-15(19)25-17(12)21-13/h3-7,9-10,14,21H,8H2,1-2H3,(H,20,23)/t14-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human liver GPa by multienzyme coupled assay |
Bioorg Med Chem Lett 16: 5567-71 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.047
BindingDB Entry DOI: 10.7270/Q2KW5FP3 |
More data for this
Ligand-Target Pair | |
Glycogen phosphorylase, liver form
(Homo sapiens (Human)) | BDBM24363
(2-chloro-N-(2-oxo-1,2,3,4-tetrahydroquinolin-3-yl)...)Show InChI InChI=1S/C16H12ClN3O2S/c17-13-7-9-6-12(20-16(9)23-13)15(22)19-11-5-8-3-1-2-4-10(8)18-14(11)21/h1-4,6-7,11,20H,5H2,(H,18,21)(H,19,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human liver GPa by multienzyme coupled assay |
Bioorg Med Chem Lett 16: 5567-71 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.047
BindingDB Entry DOI: 10.7270/Q2KW5FP3 |
More data for this
Ligand-Target Pair | |
Glycogen phosphorylase, liver form
(Homo sapiens (Human)) | BDBM50194410
(2,3-dichloro-N-((1R,2R)-6-fluoro-1-hydroxy-2,3-dih...)Show SMILES O[C@H]1[C@@H](Cc2ccc(F)cc12)NC(=O)c1cc2sc(Cl)c(Cl)c2[nH]1 Show InChI InChI=1S/C16H11Cl2FN2O2S/c17-12-13-11(24-15(12)18)5-10(20-13)16(23)21-9-3-6-1-2-7(19)4-8(6)14(9)22/h1-2,4-5,9,14,20,22H,3H2,(H,21,23)/t9-,14-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human liver GPa by multienzyme coupled assay |
Bioorg Med Chem Lett 16: 5567-71 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.047
BindingDB Entry DOI: 10.7270/Q2KW5FP3 |
More data for this
Ligand-Target Pair | |
Glycogen phosphorylase, liver form
(Homo sapiens (Human)) | BDBM50065954
((S)-5-chloro-N-(1-(dimethylamino)-1-oxo-3-phenylpr...)Show SMILES CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1 Show InChI InChI=1S/C20H20ClN3O2/c1-24(2)20(26)18(10-13-6-4-3-5-7-13)23-19(25)17-12-14-11-15(21)8-9-16(14)22-17/h3-9,11-12,18,22H,10H2,1-2H3,(H,23,25)/t18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human liver GPa by multienzyme coupled assay |
Bioorg Med Chem Lett 16: 5567-71 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.047
BindingDB Entry DOI: 10.7270/Q2KW5FP3 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM12409
(3-bromo-N-[5-({6-methoxy-7-[3-(morpholin-4-yl)prop...)Show SMILES COc1cc2c(Nc3cnc(NC(=O)c4ccc(C)c(Br)c4)nc3)ncnc2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C28H30BrN7O4/c1-18-4-5-19(12-22(18)29)27(37)35-28-30-15-20(16-31-28)34-26-21-13-24(38-2)25(14-23(21)32-17-33-26)40-9-3-6-36-7-10-39-11-8-36/h4-5,12-17H,3,6-11H2,1-2H3,(H,32,33,34)(H,30,31,35,37) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | 7.5 | 22 |
AstraZeneca
| Assay Description
In vitro kinase assay using recombinant Aurora A purified from Sf9 cells, was incubated at room temperature with substrate, and test compounds in the... |
Bioorg Med Chem Lett 16: 1320-23 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.053
BindingDB Entry DOI: 10.7270/Q2WH2N7M |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM12410
(4-ethyl-N-[5-({6-methoxy-7-[3-(morpholin-4-yl)prop...)Show SMILES CCc1ccc(cc1)C(=O)Nc1ncc(Nc2ncnc3cc(OCCCN4CCOCC4)c(OC)cc23)cn1 Show InChI InChI=1S/C29H33N7O4/c1-3-20-5-7-21(8-6-20)28(37)35-29-30-17-22(18-31-29)34-27-23-15-25(38-2)26(16-24(23)32-19-33-27)40-12-4-9-36-10-13-39-14-11-36/h5-8,15-19H,3-4,9-14H2,1-2H3,(H,32,33,34)(H,30,31,35,37) | 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 | 85 | n/a | n/a | n/a | n/a | 7.5 | 22 |
AstraZeneca
| Assay Description
In vitro kinase assay using recombinant Aurora A purified from Sf9 cells, was incubated at room temperature with substrate, and test compounds in the... |
Bioorg Med Chem Lett 16: 1320-23 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.053
BindingDB Entry DOI: 10.7270/Q2WH2N7M |
More data for this
Ligand-Target Pair | |
Glycogen phosphorylase, liver form
(Homo sapiens (Human)) | BDBM50136437
(5-Chloro-1H-indole-2-carboxylic acid (2-oxo-1,2,3,...)Show InChI InChI=1S/C18H14ClN3O2/c19-12-5-6-14-11(7-12)9-15(20-14)17(23)22-16-8-10-3-1-2-4-13(10)21-18(16)24/h1-7,9,16,20H,8H2,(H,21,24)(H,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 86 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human liver GPa by multienzyme coupled assay |
Bioorg Med Chem Lett 16: 5567-71 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.047
BindingDB Entry DOI: 10.7270/Q2KW5FP3 |
More data for this
Ligand-Target Pair | |
Glycogen phosphorylase, liver form
(Homo sapiens (Human)) | BDBM50194418
(2,3-dichloro-N-((1R,2R)-6-chloro-1-hydroxy-2,3-dih...)Show SMILES O[C@H]1[C@@H](Cc2ccc(Cl)cc12)NC(=O)c1cc2sc(Cl)c(Cl)c2[nH]1 Show InChI InChI=1S/C16H11Cl3N2O2S/c17-7-2-1-6-3-9(14(22)8(6)4-7)21-16(23)10-5-11-13(20-10)12(18)15(19)24-11/h1-2,4-5,9,14,20,22H,3H2,(H,21,23)/t9-,14-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human liver GPa by multienzyme coupled assay |
Bioorg Med Chem Lett 16: 5567-71 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.047
BindingDB Entry DOI: 10.7270/Q2KW5FP3 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM14210
(4-(4-(N-benzoylamino)anilino)-6-methoxy-7-(3-(1-mo...)Show SMILES COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C29H31N5O4/c1-36-26-18-24-25(19-27(26)38-15-5-12-34-13-16-37-17-14-34)30-20-31-28(24)32-22-8-10-23(11-9-22)33-29(35)21-6-3-2-4-7-21/h2-4,6-11,18-20H,5,12-17H2,1H3,(H,33,35)(H,30,31,32) | 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 | 110 | n/a | n/a | n/a | n/a | 7.5 | 22 |
AstraZeneca
| Assay Description
In vitro kinase assay using recombinant Aurora A purified from Sf9 cells, was incubated at room temperature with substrate, and test compounds in the... |
Bioorg Med Chem Lett 16: 1320-23 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.053
BindingDB Entry DOI: 10.7270/Q2WH2N7M |
More data for this
Ligand-Target Pair | |
Glycogen phosphorylase, liver form
(Homo sapiens (Human)) | BDBM24361
(2,3-dichloro-N-(2-oxo-1,2,3,4-tetrahydroquinolin-3...)Show SMILES Clc1sc2cc([nH]c2c1Cl)C(=O)NC1Cc2ccccc2NC1=O Show InChI InChI=1S/C16H11Cl2N3O2S/c17-12-13-11(24-14(12)18)6-10(19-13)16(23)21-9-5-7-3-1-2-4-8(7)20-15(9)22/h1-4,6,9,19H,5H2,(H,20,22)(H,21,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 132 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human liver GPa by multienzyme coupled assay |
Bioorg Med Chem Lett 16: 5567-71 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.047
BindingDB Entry DOI: 10.7270/Q2KW5FP3 |
More data for this
Ligand-Target Pair | |
Glycogen phosphorylase, liver form
(Homo sapiens (Human)) | BDBM50194423
(2,3-dichloro-N-(2,3-dihydro-1H-inden-2-yl)-4H-thie...)Show InChI InChI=1S/C16H12Cl2N2OS/c17-13-14-12(22-15(13)18)7-11(20-14)16(21)19-10-5-8-3-1-2-4-9(8)6-10/h1-4,7,10,20H,5-6H2,(H,19,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 197 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human liver GPa by multienzyme coupled assay |
Bioorg Med Chem Lett 16: 5567-71 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.047
BindingDB Entry DOI: 10.7270/Q2KW5FP3 |
More data for this
Ligand-Target Pair | |
Glycogen phosphorylase, liver form
(Homo sapiens (Human)) | BDBM50194412
(2-CHLORO-N-[(1R,2R)-1-HYDROXY-2,3-DIHYDRO-1H-INDEN...)Show SMILES O[C@H]1[C@@H](Cc2ccccc12)NC(=O)c1cc2cc(Cl)sc2[nH]1 Show InChI InChI=1S/C16H13ClN2O2S/c17-13-7-9-6-12(19-16(9)22-13)15(21)18-11-5-8-3-1-2-4-10(8)14(11)20/h1-4,6-7,11,14,19-20H,5H2,(H,18,21)/t11-,14-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 319 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human liver GPa by multienzyme coupled assay |
Bioorg Med Chem Lett 16: 5567-71 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.047
BindingDB Entry DOI: 10.7270/Q2KW5FP3 |
More data for this
Ligand-Target Pair | |
Glycogen phosphorylase, liver form
(Homo sapiens (Human)) | BDBM50194424
((S)-3-chloro-N-(1-(methylamino)-1-oxo-3-phenylprop...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2scc(Cl)c2[nH]1 Show InChI InChI=1S/C17H16ClN3O2S/c1-19-16(22)12(7-10-5-3-2-4-6-10)21-17(23)13-8-14-15(20-13)11(18)9-24-14/h2-6,8-9,12,20H,7H2,1H3,(H,19,22)(H,21,23)/t12-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 390 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human liver GPa by multienzyme coupled assay |
Bioorg Med Chem Lett 16: 5567-71 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.047
BindingDB Entry DOI: 10.7270/Q2KW5FP3 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM12403
(CHEMBL382590 | N-{4-[(6,7-dimethoxyquinazolin-4-yl...)Show SMILES COc1cc2ncnc(Nc3ccc(NC(=O)c4ccccc4)cc3)c2cc1OC Show InChI InChI=1S/C23H20N4O3/c1-29-20-12-18-19(13-21(20)30-2)24-14-25-22(18)26-16-8-10-17(11-9-16)27-23(28)15-6-4-3-5-7-15/h3-14H,1-2H3,(H,27,28)(H,24,25,26) | PDB
MMDB
NCI pathway
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 | 393 | n/a | n/a | n/a | n/a | 7.5 | 22 |
AstraZeneca
| Assay Description
In vitro kinase assay using recombinant Aurora A purified from Sf9 cells, was incubated at room temperature with substrate, and test compounds in the... |
Bioorg Med Chem Lett 16: 1320-23 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.053
BindingDB Entry DOI: 10.7270/Q2WH2N7M |
More data for this
Ligand-Target Pair | |
Glycogen phosphorylase, liver form
(Homo sapiens (Human)) | BDBM50194413
((S)-2-chloro-N-(1-(methylamino)-1-oxo-3-phenylprop...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2sc(Cl)cc2[nH]1 Show InChI InChI=1S/C17H16ClN3O2S/c1-19-16(22)12(7-10-5-3-2-4-6-10)21-17(23)13-8-14-11(20-13)9-15(18)24-14/h2-6,8-9,12,20H,7H2,1H3,(H,19,22)(H,21,23)/t12-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 577 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human liver GPa by multienzyme coupled assay |
Bioorg Med Chem Lett 16: 5567-71 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.047
BindingDB Entry DOI: 10.7270/Q2KW5FP3 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM12406
(CHEMBL206266 | N-[2-({6-methoxy-7-[3-(morpholin-4-...)Show SMILES COc1cc2c(Nc3ncc(NC(=O)c4ccccc4)cn3)ncnc2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C27H29N7O4/c1-36-23-14-21-22(15-24(23)38-11-5-8-34-9-12-37-13-10-34)30-18-31-25(21)33-27-28-16-20(17-29-27)32-26(35)19-6-3-2-4-7-19/h2-4,6-7,14-18H,5,8-13H2,1H3,(H,32,35)(H,28,29,30,31,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 629 | n/a | n/a | n/a | n/a | 7.5 | 22 |
AstraZeneca
| Assay Description
In vitro kinase assay using recombinant Aurora A purified from Sf9 cells, was incubated at room temperature with substrate, and test compounds in the... |
Bioorg Med Chem Lett 16: 1320-23 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.053
BindingDB Entry DOI: 10.7270/Q2WH2N7M |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM12412
(CHEMBL203507 | N-[5-({6-methoxy-7-[3-(morpholin-4-...)Show SMILES COc1cc2c(Nc3cnc(NC(=O)c4ccncc4)nc3)ncnc2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C26H28N8O4/c1-36-22-13-20-21(14-23(22)38-10-2-7-34-8-11-37-12-9-34)30-17-31-24(20)32-19-15-28-26(29-16-19)33-25(35)18-3-5-27-6-4-18/h3-6,13-17H,2,7-12H2,1H3,(H,30,31,32)(H,28,29,33,35) | 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 | 690 | n/a | n/a | n/a | n/a | 7.5 | 22 |
AstraZeneca
| Assay Description
In vitro kinase assay using recombinant Aurora A purified from Sf9 cells, was incubated at room temperature with substrate, and test compounds in the... |
Bioorg Med Chem Lett 16: 1320-23 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.053
BindingDB Entry DOI: 10.7270/Q2WH2N7M |
More data for this
Ligand-Target Pair | |
Glycogen phosphorylase, liver form
(Homo sapiens (Human)) | BDBM50194422
(2-chloro-N-(2,3-dihydro-1H-inden-2-yl)-6H-thieno[2...)Show InChI InChI=1S/C16H13ClN2OS/c17-14-8-11-7-13(19-16(11)21-14)15(20)18-12-5-9-3-1-2-4-10(9)6-12/h1-4,7-8,12,19H,5-6H2,(H,18,20) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 806 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human liver GPa by multienzyme coupled assay |
Bioorg Med Chem Lett 16: 5567-71 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.047
BindingDB Entry DOI: 10.7270/Q2KW5FP3 |
More data for this
Ligand-Target Pair | |
Glycogen phosphorylase, liver form
(Homo sapiens (Human)) | BDBM50194421
((S)-N-(1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl...)Show SMILES CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2ccsc2[nH]1 Show InChI InChI=1S/C18H19N3O2S/c1-21(2)18(23)15(10-12-6-4-3-5-7-12)19-16(22)14-11-13-8-9-24-17(13)20-14/h3-9,11,15,20H,10H2,1-2H3,(H,19,22)/t15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.31E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human liver GPa by multienzyme coupled assay |
Bioorg Med Chem Lett 16: 5567-71 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.047
BindingDB Entry DOI: 10.7270/Q2KW5FP3 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50166435
(5-(4-METHOXYBIPHENYL-3-YL)-1,2,5-THIADIAZOLIDIN-3-...)Show InChI InChI=1S/C15H14N2O4S/c1-21-14-8-7-12(11-5-3-2-4-6-11)9-13(14)17-10-15(18)16-22(17,19)20/h2-9H,10H2,1H3,(H,16,18) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 2.47E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Protein tyrosine phosphatase 1B |
Bioorg Med Chem Lett 15: 2503-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.068
BindingDB Entry DOI: 10.7270/Q2QR4WPZ |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Aurora kinase A
(Homo sapiens (Human)) | BDBM12411
(4-(dipropylsulfamoyl)-N-[5-({6-methoxy-7-[3-(morph...)Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)Nc1ncc(Nc2ncnc3cc(OCCCN4CCOCC4)c(OC)cc23)cn1 Show InChI InChI=1S/C33H42N8O6S/c1-4-11-41(12-5-2)48(43,44)26-9-7-24(8-10-26)32(42)39-33-34-21-25(22-35-33)38-31-27-19-29(45-3)30(20-28(27)36-23-37-31)47-16-6-13-40-14-17-46-18-15-40/h7-10,19-23H,4-6,11-18H2,1-3H3,(H,36,37,38)(H,34,35,39,42) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.90E+3 | n/a | n/a | n/a | n/a | 7.5 | 22 |
AstraZeneca
| Assay Description
In vitro kinase assay using recombinant Aurora A purified from Sf9 cells, was incubated at room temperature with substrate, and test compounds in the... |
Bioorg Med Chem Lett 16: 1320-23 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.053
BindingDB Entry DOI: 10.7270/Q2WH2N7M |
More data for this
Ligand-Target Pair | |
Glycogen phosphorylase, liver form
(Homo sapiens (Human)) | BDBM50194416
((S)-2,3-dibromo-N-(1-(dimethylamino)-1-oxo-3-pheny...)Show SMILES CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2sc(Br)c(Br)c2n1C Show InChI InChI=1S/C19H19Br2N3O2S/c1-23(2)19(26)12(9-11-7-5-4-6-8-11)22-18(25)13-10-14-16(24(13)3)15(20)17(21)27-14/h4-8,10,12H,9H2,1-3H3,(H,22,25)/t12-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human liver GPa by multienzyme coupled assay |
Bioorg Med Chem Lett 16: 5567-71 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.047
BindingDB Entry DOI: 10.7270/Q2KW5FP3 |
More data for this
Ligand-Target Pair | |
Glycogen phosphorylase, liver form
(Homo sapiens (Human)) | BDBM50194419
((S)-2,3-dibromo-N-(1-(dimethylamino)-1-oxo-3-pheny...)Show SMILES CN(C)C(=O)[C@H](Cc1ccccc1)N(C)C(=O)c1cc2sc(Br)c(Br)c2[nH]1 Show InChI InChI=1S/C19H19Br2N3O2S/c1-23(2)19(26)13(9-11-7-5-4-6-8-11)24(3)18(25)12-10-14-16(22-12)15(20)17(21)27-14/h4-8,10,13,22H,9H2,1-3H3/t13-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human liver GPa by multienzyme coupled assay |
Bioorg Med Chem Lett 16: 5567-71 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.047
BindingDB Entry DOI: 10.7270/Q2KW5FP3 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50166432
(5-Biphenyl-3-yl-1,1-dioxo-1lambda*6*-[1,2,5]thiadi...)Show InChI InChI=1S/C14H12N2O3S/c17-14-10-16(20(18,19)15-14)13-8-4-7-12(9-13)11-5-2-1-3-6-11/h1-9H,10H2,(H,15,17) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.32E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Protein tyrosine phosphatase 1B |
Bioorg Med Chem Lett 15: 2503-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.068
BindingDB Entry DOI: 10.7270/Q2QR4WPZ |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50166433
(5-(2-Methoxy-phenyl)-1,1-dioxo-1lambda*6*-[1,2,5]t...)Show InChI InChI=1S/C9H10N2O4S/c1-15-8-5-3-2-4-7(8)11-6-9(12)10-16(11,13)14/h2-5H,6H2,1H3,(H,10,12) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.38E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Protein tyrosine phosphatase 1B |
Bioorg Med Chem Lett 15: 2503-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.068
BindingDB Entry DOI: 10.7270/Q2QR4WPZ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50166431
(1,1-Dioxo-5-o-tolyl-1lambda*6*-[1,2,5]thiadiazolid...)Show InChI InChI=1S/C9H10N2O3S/c1-7-4-2-3-5-8(7)11-6-9(12)10-15(11,13)14/h2-5H,6H2,1H3,(H,10,12) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.03E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Protein tyrosine phosphatase 1B |
Bioorg Med Chem Lett 15: 2503-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.068
BindingDB Entry DOI: 10.7270/Q2QR4WPZ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50166434
(1,1-Dioxo-5-phenyl-1lambda*6*-[1,2,5]thiadiazolidi...)Show InChI InChI=1S/C8H8N2O3S/c11-8-6-10(14(12,13)9-8)7-4-2-1-3-5-7/h1-5H,6H2,(H,9,11) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 1.61E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Protein tyrosine phosphatase 1B |
Bioorg Med Chem Lett 15: 2503-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.068
BindingDB Entry DOI: 10.7270/Q2QR4WPZ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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