Found 170 hits with Last Name = 'chittimalla' and Initial = 'sk' 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 |
|---|
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50322822
((S)-N-(3-(4-(2-hydroxy-1-phenylethylamino)-6-pheny...)Show SMILES OC[C@@H](Nc1ncnc2oc(c(-c3cccc(NC(=O)C=C)c3)c12)-c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C29H24N4O3/c1-2-24(35)32-22-15-9-14-21(16-22)25-26-28(33-23(17-34)19-10-5-3-6-11-19)30-18-31-29(26)36-27(25)20-12-7-4-8-13-20/h2-16,18,23,34H,1,17H2,(H,32,35)(H,30,31,33)/t23-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged EGFR expressed in Escherichia coli |
J Med Chem 53: 4980-8 (2010)
Checked by Author
Article DOI: 10.1021/jm1000198
BindingDB Entry DOI: 10.7270/Q2Z60P87 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50322823
((S)-N-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahy...)Show SMILES CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r| Show InChI InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
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| DrugBank
PDB
Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged EGFR expressed in Escherichia coli |
J Med Chem 53: 4980-8 (2010)
Checked by Author
Article DOI: 10.1021/jm1000198
BindingDB Entry DOI: 10.7270/Q2Z60P87 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Aurora kinase A
(Homo sapiens (Human)) | BDBM13534
(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1 Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
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| PDB
Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
J Med Chem 53: 4980-8 (2010)
Checked by Author
Article DOI: 10.1021/jm1000198
BindingDB Entry DOI: 10.7270/Q2Z60P87 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM5447
(CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...)Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
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GoogleScholar
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| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
MMDB
PDB
Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged EGFR expressed in Escherichia coli |
J Med Chem 53: 4980-8 (2010)
Checked by Author
Article DOI: 10.1021/jm1000198
BindingDB Entry DOI: 10.7270/Q2Z60P87 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50322816
(1-{4-[2-(5,6-Diphenylfuro[2,3-d]pyrimidin-4-ylamin...)Show SMILES O=C(Nc1ccccc1)Nc1ccc(CCNc2ncnc3oc(c(-c4ccccc4)c23)-c2ccccc2)cc1 Show InChI InChI=1S/C33H27N5O2/c39-33(37-26-14-8-3-9-15-26)38-27-18-16-23(17-19-27)20-21-34-31-29-28(24-10-4-1-5-11-24)30(25-12-6-2-7-13-25)40-32(29)36-22-35-31/h1-19,22H,20-21H2,(H,34,35,36)(H2,37,38,39) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
J Med Chem 53: 4980-8 (2010)
Checked by Author
Article DOI: 10.1021/jm1000198
BindingDB Entry DOI: 10.7270/Q2Z60P87 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50322821
((S)-N-(4-(4-(2-hydroxy-1-phenylethylamino)-6-pheny...)Show SMILES OC[C@@H](Nc1ncnc2oc(c(-c3ccc(NC(=O)C=C)cc3)c12)-c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C29H24N4O3/c1-2-24(35)32-22-15-13-20(14-16-22)25-26-28(33-23(17-34)19-9-5-3-6-10-19)30-18-31-29(26)36-27(25)21-11-7-4-8-12-21/h2-16,18,23,34H,1,17H2,(H,32,35)(H,30,31,33)/t23-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 82 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged EGFR expressed in Escherichia coli |
J Med Chem 53: 4980-8 (2010)
Checked by Author
Article DOI: 10.1021/jm1000198
BindingDB Entry DOI: 10.7270/Q2Z60P87 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM28681
(5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
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| PDB
Article
PubMed
| n/a | n/a | 92 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Displacement of [3H]-rosiglitazone from human PPAR gamma by SPA assay |
J Med Chem 48: 8194-208 (2005)
Article DOI: 10.1021/jm0506930
BindingDB Entry DOI: 10.7270/Q2R78DS5 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50179235
(2-{5-[4-(7-propyl-3-trifluoromethylbenzo[d]isoxazo...)Show SMILES CCCc1c(OCCCCOc2ccc3n(CC(O)=O)ccc3c2)ccc2c(noc12)C(F)(F)F Show InChI InChI=1S/C25H25F3N2O5/c1-2-5-18-21(9-7-19-23(18)35-29-24(19)25(26,27)28)34-13-4-3-12-33-17-6-8-20-16(14-17)10-11-30(20)15-22(31)32/h6-11,14H,2-5,12-13,15H2,1H3,(H,31,32) | PDB
MMDB
NCI pathway
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 | 105 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Displacement of [3H]-rosiglitazone from human PPAR gamma by SPA assay |
J Med Chem 48: 8194-208 (2005)
Article DOI: 10.1021/jm0506930
BindingDB Entry DOI: 10.7270/Q2R78DS5 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50179229
(2-{5-[3-(3-phenyl-7-propylbenzo[d]isoxazol-6-yloxy...)Show SMILES CCCc1c(OCCCOc2ccc3n(CC(O)=O)ccc3c2)ccc2c(noc12)-c1ccccc1 Show InChI InChI=1S/C29H28N2O5/c1-2-7-23-26(13-11-24-28(30-36-29(23)24)20-8-4-3-5-9-20)35-17-6-16-34-22-10-12-25-21(18-22)14-15-31(25)19-27(32)33/h3-5,8-15,18H,2,6-7,16-17,19H2,1H3,(H,32,33) | PDB
MMDB
NCI pathway
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 | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Displacement of [3H]-rosiglitazone from human PPAR gamma by SPA assay |
J Med Chem 48: 8194-208 (2005)
Article DOI: 10.1021/jm0506930
BindingDB Entry DOI: 10.7270/Q2R78DS5 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50179225
(2-{4-[3-(3-phenyl-7-propylbenzo[d]isoxazol-6-yloxy...)Show SMILES CCCc1c(OCCCOc2cccc3n(CC(O)=O)ccc23)ccc2c(noc12)-c1ccccc1 Show InChI InChI=1S/C29H28N2O5/c1-2-8-22-26(14-13-23-28(30-36-29(22)23)20-9-4-3-5-10-20)35-18-7-17-34-25-12-6-11-24-21(25)15-16-31(24)19-27(32)33/h3-6,9-16H,2,7-8,17-19H2,1H3,(H,32,33) | PDB
MMDB
NCI pathway
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 | 127 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Displacement of [3H]-rosiglitazone from human PPAR gamma by SPA assay |
J Med Chem 48: 8194-208 (2005)
Article DOI: 10.1021/jm0506930
BindingDB Entry DOI: 10.7270/Q2R78DS5 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50179236
(2-(5-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxa...)Show SMILES CCCc1c(OCCCOc2ccc3n(CC(O)=O)ccc3c2)ccc2c(noc12)C(F)(F)F Show InChI InChI=1S/C24H23F3N2O5/c1-2-4-17-20(8-6-18-22(17)34-28-23(18)24(25,26)27)33-12-3-11-32-16-5-7-19-15(13-16)9-10-29(19)14-21(30)31/h5-10,13H,2-4,11-12,14H2,1H3,(H,30,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 152 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Displacement of [3H]-rosiglitazone from human PPAR gamma by SPA assay |
J Med Chem 48: 8194-208 (2005)
Article DOI: 10.1021/jm0506930
BindingDB Entry DOI: 10.7270/Q2R78DS5 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50322820
(CHEMBL1172781 | S-2-(5,6-Diphenylfuro[2,3-d]pyrimi...)Show SMILES OC[C@@H](Nc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C26H21N3O2/c30-16-21(18-10-4-1-5-11-18)29-25-23-22(19-12-6-2-7-13-19)24(20-14-8-3-9-15-20)31-26(23)28-17-27-25/h1-15,17,21,30H,16H2,(H,27,28,29)/t21-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 223 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged EGFR expressed in Escherichia coli |
J Med Chem 53: 4980-8 (2010)
Checked by Author
Article DOI: 10.1021/jm1000198
BindingDB Entry DOI: 10.7270/Q2Z60P87 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50322805
((5,6-Diphenylfuro[2,3-d]pyrimidin-4-yl)-[2-(1H-imi...)Show SMILES C(Cc1cnc[nH]1)Nc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1 Show InChI InChI=1S/C23H19N5O/c1-3-7-16(8-4-1)19-20-22(25-12-11-18-13-24-14-26-18)27-15-28-23(20)29-21(19)17-9-5-2-6-10-17/h1-10,13-15H,11-12H2,(H,24,26)(H,25,27,28) | 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 | 296 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
J Med Chem 53: 4980-8 (2010)
Checked by Author
Article DOI: 10.1021/jm1000198
BindingDB Entry DOI: 10.7270/Q2Z60P87 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50322817
(CHEMBL1173801 | N-{4-[2-(5,6-Diphenylfuro[2,3-d]py...)Show SMILES O=C(Nc1ccc(CCNc2ncnc3oc(c(-c4ccccc4)c23)-c2ccccc2)cc1)c1ccccc1 Show InChI InChI=1S/C33H26N4O2/c38-32(26-14-8-3-9-15-26)37-27-18-16-23(17-19-27)20-21-34-31-29-28(24-10-4-1-5-11-24)30(25-12-6-2-7-13-25)39-33(29)36-22-35-31/h1-19,22H,20-21H2,(H,37,38)(H,34,35,36) | PDB
MMDB
NCI pathway
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 | 304 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
J Med Chem 53: 4980-8 (2010)
Checked by Author
Article DOI: 10.1021/jm1000198
BindingDB Entry DOI: 10.7270/Q2Z60P87 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM14800
(2-(5,6-Diphenyl-furo[2,3-d]pyrimidin-4-ylamino)-et...)Show InChI InChI=1S/C20H17N3O2/c24-12-11-21-19-17-16(14-7-3-1-4-8-14)18(15-9-5-2-6-10-15)25-20(17)23-13-22-19/h1-10,13,24H,11-12H2,(H,21,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 309 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
J Med Chem 53: 4980-8 (2010)
Checked by Author
Article DOI: 10.1021/jm1000198
BindingDB Entry DOI: 10.7270/Q2Z60P87 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50322812
(4-(3,5-Dimethylpiperazin-1-yl)-5,6-diphenylfuro[2,...)Show SMILES CC1CN(CC(C)N1)c1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1 Show InChI InChI=1S/C24H24N4O/c1-16-13-28(14-17(2)27-16)23-21-20(18-9-5-3-6-10-18)22(19-11-7-4-8-12-19)29-24(21)26-15-25-23/h3-12,15-17,27H,13-14H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 334 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
J Med Chem 53: 4980-8 (2010)
Checked by Author
Article DOI: 10.1021/jm1000198
BindingDB Entry DOI: 10.7270/Q2Z60P87 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50179227
(2-(5-(2-(7-propyl-3-(trifluoromethyl)benzo[d]isoxa...)Show SMILES CCCc1c(OCCOc2ccc3n(CC(O)=O)ccc3c2)ccc2c(noc12)C(F)(F)F Show InChI InChI=1S/C23H21F3N2O5/c1-2-3-16-19(7-5-17-21(16)33-27-22(17)23(24,25)26)32-11-10-31-15-4-6-18-14(12-15)8-9-28(18)13-20(29)30/h4-9,12H,2-3,10-11,13H2,1H3,(H,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 422 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Displacement of [3H]-rosiglitazone from human PPAR gamma by SPA assay |
J Med Chem 48: 8194-208 (2005)
Article DOI: 10.1021/jm0506930
BindingDB Entry DOI: 10.7270/Q2R78DS5 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50322810
((5,6-Diphenylfuro[2,3-d]pyrimidin-4-yl)-(2-pyridin...)Show SMILES C(Cc1ccccn1)Nc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1 Show InChI InChI=1S/C25H20N4O/c1-3-9-18(10-4-1)21-22-24(27-16-14-20-13-7-8-15-26-20)28-17-29-25(22)30-23(21)19-11-5-2-6-12-19/h1-13,15,17H,14,16H2,(H,27,28,29) | 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 | 535 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
J Med Chem 53: 4980-8 (2010)
Checked by Author
Article DOI: 10.1021/jm1000198
BindingDB Entry DOI: 10.7270/Q2Z60P87 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50179240
(3-{5-[3-(7-propyl-3-trifluoromethylbenzo[d]isoxazo...)Show SMILES CCCc1c(OCCCOc2ccc3n(CCC(O)=O)ccc3c2)ccc2c(noc12)C(F)(F)F Show InChI InChI=1S/C25H25F3N2O5/c1-2-4-18-21(8-6-19-23(18)35-29-24(19)25(26,27)28)34-14-3-13-33-17-5-7-20-16(15-17)9-11-30(20)12-10-22(31)32/h5-9,11,15H,2-4,10,12-14H2,1H3,(H,31,32) | PDB
MMDB
NCI pathway
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 | 584 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Displacement of [3H]-rosiglitazone from human PPAR gamma by SPA assay |
J Med Chem 48: 8194-208 (2005)
Article DOI: 10.1021/jm0506930
BindingDB Entry DOI: 10.7270/Q2R78DS5 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50322807
(CHEMBL1173151 | [2-(4-Aminophenyl)ethyl]-(5,6-diph...)Show SMILES Nc1ccc(CCNc2ncnc3oc(c(-c4ccccc4)c23)-c2ccccc2)cc1 Show InChI InChI=1S/C26H22N4O/c27-21-13-11-18(12-14-21)15-16-28-25-23-22(19-7-3-1-4-8-19)24(20-9-5-2-6-10-20)31-26(23)30-17-29-25/h1-14,17H,15-16,27H2,(H,28,29,30) | PDB
MMDB
NCI pathway
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 | 640 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
J Med Chem 53: 4980-8 (2010)
Checked by Author
Article DOI: 10.1021/jm1000198
BindingDB Entry DOI: 10.7270/Q2Z60P87 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50322813
(4-[2-(5,6-Diphenylfuro[2,3-d]pyrimidin-4-ylamino)e...)Show SMILES Oc1ccc(CCNc2ncnc3oc(c(-c4ccccc4)c23)-c2ccccc2)cc1 Show InChI InChI=1S/C26H21N3O2/c30-21-13-11-18(12-14-21)15-16-27-25-23-22(19-7-3-1-4-8-19)24(20-9-5-2-6-10-20)31-26(23)29-17-28-25/h1-14,17,30H,15-16H2,(H,27,28,29) | PDB
MMDB
NCI pathway
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 | 640 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
J Med Chem 53: 4980-8 (2010)
Checked by Author
Article DOI: 10.1021/jm1000198
BindingDB Entry DOI: 10.7270/Q2Z60P87 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50179226
(2-{5-[3-(3-cyano-7-propyl-1H-indol-6-yloxy)propoxy...)Show SMILES CCCc1c(OCCCOc2ccc3n(CC(O)=O)ccc3c2)ccc2c(c[nH]c12)C#N Show InChI InChI=1S/C25H25N3O4/c1-2-4-21-23(8-6-20-18(14-26)15-27-25(20)21)32-12-3-11-31-19-5-7-22-17(13-19)9-10-28(22)16-24(29)30/h5-10,13,15,27H,2-4,11-12,16H2,1H3,(H,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 759 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Displacement of [3H]-rosiglitazone from human PPAR gamma by SPA assay |
J Med Chem 48: 8194-208 (2005)
Article DOI: 10.1021/jm0506930
BindingDB Entry DOI: 10.7270/Q2R78DS5 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50322809
(2-[2-(5,6-Diphenylfuro[2,3-d]pyrimidin-4-ylamino)e...)Show InChI InChI=1S/C22H21N3O3/c26-12-14-27-13-11-23-21-19-18(16-7-3-1-4-8-16)20(17-9-5-2-6-10-17)28-22(19)25-15-24-21/h1-10,15,26H,11-14H2,(H,23,24,25) | 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 | 760 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
J Med Chem 53: 4980-8 (2010)
Checked by Author
Article DOI: 10.1021/jm1000198
BindingDB Entry DOI: 10.7270/Q2Z60P87 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50179233
(2-{4-[4-(7-propyl-3-trifluoromethylbenzo[d]isoxazo...)Show SMILES CCCc1c(OCCCCOc2cccc3n(CC(O)=O)ccc23)ccc2c(noc12)C(F)(F)F Show InChI InChI=1S/C25H25F3N2O5/c1-2-6-17-21(10-9-18-23(17)35-29-24(18)25(26,27)28)34-14-4-3-13-33-20-8-5-7-19-16(20)11-12-30(19)15-22(31)32/h5,7-12H,2-4,6,13-15H2,1H3,(H,31,32) | PDB
MMDB
NCI pathway
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 | 774 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Displacement of [3H]-rosiglitazone from human PPAR gamma by SPA assay |
J Med Chem 48: 8194-208 (2005)
Article DOI: 10.1021/jm0506930
BindingDB Entry DOI: 10.7270/Q2R78DS5 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50322808
(CHEMBL1173152 | S-2-(5,6-Diphenylfuro[2,3-d]pyrimi...)Show SMILES C[C@@H](CO)Nc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1 |r| Show InChI InChI=1S/C21H19N3O2/c1-14(12-25)24-20-18-17(15-8-4-2-5-9-15)19(16-10-6-3-7-11-16)26-21(18)23-13-22-20/h2-11,13-14,25H,12H2,1H3,(H,22,23,24)/t14-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 792 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
J Med Chem 53: 4980-8 (2010)
Checked by Author
Article DOI: 10.1021/jm1000198
BindingDB Entry DOI: 10.7270/Q2Z60P87 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50322806
(3-(5,6-Diphenylfuro[2,3-d]pyrimidin-4-ylamino)prop...)Show SMILES CCOC(=O)CCNc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1 Show InChI InChI=1S/C23H21N3O3/c1-2-28-18(27)13-14-24-22-20-19(16-9-5-3-6-10-16)21(17-11-7-4-8-12-17)29-23(20)26-15-25-22/h3-12,15H,2,13-14H2,1H3,(H,24,25,26) | 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 | 796 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
J Med Chem 53: 4980-8 (2010)
Checked by Author
Article DOI: 10.1021/jm1000198
BindingDB Entry DOI: 10.7270/Q2Z60P87 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50322803
(1-(5,6-Diphenylfuro[2,3-d]pyrimidin-4-yl)piperidin...)Show SMILES OC1CCN(CC1)c1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1 Show InChI InChI=1S/C23H21N3O2/c27-18-11-13-26(14-12-18)22-20-19(16-7-3-1-4-8-16)21(17-9-5-2-6-10-17)28-23(20)25-15-24-22/h1-10,15,18,27H,11-14H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 807 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
J Med Chem 53: 4980-8 (2010)
Checked by Author
Article DOI: 10.1021/jm1000198
BindingDB Entry DOI: 10.7270/Q2Z60P87 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50322811
((2,5-Dimethoxy-2,5-dihydrofuran-2-ylmethyl)-(5,6-d...)Show SMILES COC1OC(CNc2ncnc3oc(c(-c4ccccc4)c23)-c2ccccc2)(OC)C=C1 |c:34| Show InChI InChI=1S/C25H23N3O4/c1-29-19-13-14-25(30-2,32-19)15-26-23-21-20(17-9-5-3-6-10-17)22(18-11-7-4-8-12-18)31-24(21)28-16-27-23/h3-14,16,19H,15H2,1-2H3,(H,26,27,28) | 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 | 827 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
J Med Chem 53: 4980-8 (2010)
Checked by Author
Article DOI: 10.1021/jm1000198
BindingDB Entry DOI: 10.7270/Q2Z60P87 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50322815
((4-Aminobenzyl)-(5,6-diphenylfuro[2,3-d]pyrimidin-...)Show SMILES Nc1ccc(CNc2ncnc3oc(c(-c4ccccc4)c23)-c2ccccc2)cc1 Show InChI InChI=1S/C25H20N4O/c26-20-13-11-17(12-14-20)15-27-24-22-21(18-7-3-1-4-8-18)23(19-9-5-2-6-10-19)30-25(22)29-16-28-24/h1-14,16H,15,26H2,(H,27,28,29) | PDB
MMDB
NCI pathway
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 | 945 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
J Med Chem 53: 4980-8 (2010)
Checked by Author
Article DOI: 10.1021/jm1000198
BindingDB Entry DOI: 10.7270/Q2Z60P87 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50322814
(1-(5,6-Diphenylfuro[2,3-d]pyrimidin-4-ylamino)prop...)Show SMILES C[C@@H](O)CNc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1 |r| Show InChI InChI=1S/C21H19N3O2/c1-14(25)12-22-20-18-17(15-8-4-2-5-9-15)19(16-10-6-3-7-11-16)26-21(18)24-13-23-20/h2-11,13-14,25H,12H2,1H3,(H,22,23,24)/t14-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 973 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
J Med Chem 53: 4980-8 (2010)
Checked by Author
Article DOI: 10.1021/jm1000198
BindingDB Entry DOI: 10.7270/Q2Z60P87 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50179234
(2-{6-[3-(7-propyl-3-trifluoromethylbenzo[d]isoxazo...)Show SMILES CCCc1c(OCCCOc2ccc3ccn(CC(O)=O)c3c2)ccc2c(noc12)C(F)(F)F Show InChI InChI=1S/C24H23F3N2O5/c1-2-4-17-20(8-7-18-22(17)34-28-23(18)24(25,26)27)33-12-3-11-32-16-6-5-15-9-10-29(14-21(30)31)19(15)13-16/h5-10,13H,2-4,11-12,14H2,1H3,(H,30,31) | PDB
MMDB
NCI pathway
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 | 1.05E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Displacement of [3H]-rosiglitazone from human PPAR gamma by SPA assay |
J Med Chem 48: 8194-208 (2005)
Article DOI: 10.1021/jm0506930
BindingDB Entry DOI: 10.7270/Q2R78DS5 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50179243
(2-{5-[5-(7-propyl-3-trifluoromethylbenzo[d]isoxazo...)Show SMILES CCCc1c(OCCCCCOc2ccc3n(CC(O)=O)ccc3c2)ccc2c(noc12)C(F)(F)F Show InChI InChI=1S/C26H27F3N2O5/c1-2-6-19-22(10-8-20-24(19)36-30-25(20)26(27,28)29)35-14-5-3-4-13-34-18-7-9-21-17(15-18)11-12-31(21)16-23(32)33/h7-12,15H,2-6,13-14,16H2,1H3,(H,32,33) | PDB
MMDB
NCI pathway
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 | 1.05E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Displacement of [3H]-rosiglitazone from human PPAR gamma by SPA assay |
J Med Chem 48: 8194-208 (2005)
Article DOI: 10.1021/jm0506930
BindingDB Entry DOI: 10.7270/Q2R78DS5 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50179248
(3-{4-[3-(7-propyl-3-trifluoromethylbenzo[d]isoxazo...)Show SMILES CCCc1c(OCCCOc2cccc3n(CCC(O)=O)ccc23)ccc2c(noc12)C(F)(F)F Show InChI InChI=1S/C25H25F3N2O5/c1-2-5-17-21(9-8-18-23(17)35-29-24(18)25(26,27)28)34-15-4-14-33-20-7-3-6-19-16(20)10-12-30(19)13-11-22(31)32/h3,6-10,12H,2,4-5,11,13-15H2,1H3,(H,31,32) | PDB
MMDB
NCI pathway
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 | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Displacement of [3H]-rosiglitazone from human PPAR gamma by SPA assay |
J Med Chem 48: 8194-208 (2005)
Article DOI: 10.1021/jm0506930
BindingDB Entry DOI: 10.7270/Q2R78DS5 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50179231
(CHEMBL198929 | {5-[3-(7-propyl-3-trifluoromethylbe...)Show SMILES CCCc1c(OCCCOc2ccc3n(Cc4nnn[nH]4)ccc3c2)ccc2c(noc12)C(F)(F)F Show InChI InChI=1S/C24H23F3N6O3/c1-2-4-17-20(8-6-18-22(17)36-30-23(18)24(25,26)27)35-12-3-11-34-16-5-7-19-15(13-16)9-10-33(19)14-21-28-31-32-29-21/h5-10,13H,2-4,11-12,14H2,1H3,(H,28,29,31,32) | PDB
MMDB
NCI pathway
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 | 1.12E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Displacement of [3H]-rosiglitazone from human PPAR gamma by SPA assay |
J Med Chem 48: 8194-208 (2005)
Article DOI: 10.1021/jm0506930
BindingDB Entry DOI: 10.7270/Q2R78DS5 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50179249
(2-ethyl-2-{4-[3-(7-propyl-3-trifluoromethylbenzo[d...)Show SMILES CCCc1c(OCCCOc2cccc3n(ccc23)C(CC)C(O)=O)ccc2c(noc12)C(F)(F)F Show InChI InChI=1S/C26H27F3N2O5/c1-3-7-17-22(11-10-18-23(17)36-30-24(18)26(27,28)29)35-15-6-14-34-21-9-5-8-20-16(21)12-13-31(20)19(4-2)25(32)33/h5,8-13,19H,3-4,6-7,14-15H2,1-2H3,(H,32,33) | PDB
MMDB
NCI pathway
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 | 1.28E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Displacement of [3H]-rosiglitazone from human PPAR gamma by SPA assay |
J Med Chem 48: 8194-208 (2005)
Article DOI: 10.1021/jm0506930
BindingDB Entry DOI: 10.7270/Q2R78DS5 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50179238
(2-{4-[2-methyl-3-(7-propyl-3-trifluoromethylbenzo[...)Show SMILES CCCc1c(OCC(C)COc2cccc3n(CC(O)=O)ccc23)ccc2c(noc12)C(F)(F)F Show InChI InChI=1S/C25H25F3N2O5/c1-3-5-17-21(9-8-18-23(17)35-29-24(18)25(26,27)28)34-14-15(2)13-33-20-7-4-6-19-16(20)10-11-30(19)12-22(31)32/h4,6-11,15H,3,5,12-14H2,1-2H3,(H,31,32) | PDB
MMDB
NCI pathway
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 | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Displacement of [3H]-rosiglitazone from human PPAR gamma by SPA assay |
J Med Chem 48: 8194-208 (2005)
Article DOI: 10.1021/jm0506930
BindingDB Entry DOI: 10.7270/Q2R78DS5 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50179244
(2-{5-[3-methyl-5-(7-propyl-3-trifluoromethylbenzo[...)Show SMILES CCCc1c(OCCC(C)CCOc2ccc3n(CC(O)=O)ccc3c2)ccc2c(noc12)C(F)(F)F Show InChI InChI=1S/C27H29F3N2O5/c1-3-4-20-23(8-6-21-25(20)37-31-26(21)27(28,29)30)36-14-11-17(2)10-13-35-19-5-7-22-18(15-19)9-12-32(22)16-24(33)34/h5-9,12,15,17H,3-4,10-11,13-14,16H2,1-2H3,(H,33,34) | PDB
MMDB
NCI pathway
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 | 1.37E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Displacement of [3H]-rosiglitazone from human PPAR gamma by SPA assay |
J Med Chem 48: 8194-208 (2005)
Article DOI: 10.1021/jm0506930
BindingDB Entry DOI: 10.7270/Q2R78DS5 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50179239
(2-{4-[3-methyl-5-(7-propyl-3-trifluoromethylbenzo[...)Show SMILES CCCc1c(OCCC(C)CCOc2cccc3n(CC(O)=O)ccc23)ccc2c(noc12)C(F)(F)F Show InChI InChI=1S/C27H29F3N2O5/c1-3-5-19-23(9-8-20-25(19)37-31-26(20)27(28,29)30)36-15-12-17(2)11-14-35-22-7-4-6-21-18(22)10-13-32(21)16-24(33)34/h4,6-10,13,17H,3,5,11-12,14-16H2,1-2H3,(H,33,34) | PDB
MMDB
NCI pathway
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 | 1.45E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Displacement of [3H]-rosiglitazone from human PPAR gamma by SPA assay |
J Med Chem 48: 8194-208 (2005)
Article DOI: 10.1021/jm0506930
BindingDB Entry DOI: 10.7270/Q2R78DS5 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50179241
(2-{4-[2-(7-propyl-3-trifluoromethylbenzo[d]isoxazo...)Show SMILES CCCc1c(OCCOc2cccc3n(CC(O)=O)ccc23)ccc2c(noc12)C(F)(F)F Show InChI InChI=1S/C23H21F3N2O5/c1-2-4-15-19(8-7-16-21(15)33-27-22(16)23(24,25)26)32-12-11-31-18-6-3-5-17-14(18)9-10-28(17)13-20(29)30/h3,5-10H,2,4,11-13H2,1H3,(H,29,30) | PDB
MMDB
NCI pathway
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 | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Displacement of [3H]-rosiglitazone from human PPAR gamma by SPA assay |
J Med Chem 48: 8194-208 (2005)
Article DOI: 10.1021/jm0506930
BindingDB Entry DOI: 10.7270/Q2R78DS5 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50179246
(2-{4-[3-(2-phenyl-7-propyl-1H-indol-6-yloxy)propox...)Show SMILES CCCc1c(OCCCOc2cccc3n(CC(O)=O)ccc23)ccc2cc([nH]c12)-c1ccccc1 Show InChI InChI=1S/C30H30N2O4/c1-2-8-24-28(14-13-22-19-25(31-30(22)24)21-9-4-3-5-10-21)36-18-7-17-35-27-12-6-11-26-23(27)15-16-32(26)20-29(33)34/h3-6,9-16,19,31H,2,7-8,17-18,20H2,1H3,(H,33,34) | PDB
MMDB
NCI pathway
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 | 1.68E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Displacement of [3H]-rosiglitazone from human PPAR gamma by SPA assay |
J Med Chem 48: 8194-208 (2005)
Article DOI: 10.1021/jm0506930
BindingDB Entry DOI: 10.7270/Q2R78DS5 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50179230
(2-ethyl-2-{5-[3-(7-propyl-3-trifluoromethylbenzo[d...)Show SMILES CCCc1c(OCCCOc2ccc3n(ccc3c2)C(CC)C(O)=O)ccc2c(noc12)C(F)(F)F Show InChI InChI=1S/C26H27F3N2O5/c1-3-6-18-22(10-8-19-23(18)36-30-24(19)26(27,28)29)35-14-5-13-34-17-7-9-21-16(15-17)11-12-31(21)20(4-2)25(32)33/h7-12,15,20H,3-6,13-14H2,1-2H3,(H,32,33) | PDB
MMDB
NCI pathway
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 | 1.71E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Displacement of [3H]-rosiglitazone from human PPAR gamma by SPA assay |
J Med Chem 48: 8194-208 (2005)
Article DOI: 10.1021/jm0506930
BindingDB Entry DOI: 10.7270/Q2R78DS5 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50322804
((5,6-Diphenylfuro[2,3-d]pyrimidin-4-yl)-(2-morphol...)Show SMILES C(CN1CCOCC1)Nc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1 Show InChI InChI=1S/C24H24N4O2/c1-3-7-18(8-4-1)20-21-23(25-11-12-28-13-15-29-16-14-28)26-17-27-24(21)30-22(20)19-9-5-2-6-10-19/h1-10,17H,11-16H2,(H,25,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.77E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
J Med Chem 53: 4980-8 (2010)
Checked by Author
Article DOI: 10.1021/jm1000198
BindingDB Entry DOI: 10.7270/Q2Z60P87 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50179247
(2-{4-[5-(7-propyl-3-trifluoromethylbenzo[d]isoxazo...)Show SMILES CCCc1c(OCCCCCOc2cccc3n(CC(O)=O)ccc23)ccc2c(noc12)C(F)(F)F Show InChI InChI=1S/C26H27F3N2O5/c1-2-7-18-22(11-10-19-24(18)36-30-25(19)26(27,28)29)35-15-5-3-4-14-34-21-9-6-8-20-17(21)12-13-31(20)16-23(32)33/h6,8-13H,2-5,7,14-16H2,1H3,(H,32,33) | PDB
MMDB
NCI pathway
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 | 1.78E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Displacement of [3H]-rosiglitazone from human PPAR gamma by SPA assay |
J Med Chem 48: 8194-208 (2005)
Article DOI: 10.1021/jm0506930
BindingDB Entry DOI: 10.7270/Q2R78DS5 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50179232
(2-{4-[3-(2-phenyl-7-propylbenzo[b]furan-6-yloxy)pr...)Show SMILES CCCc1c(OCCCOc2cccc3n(CC(O)=O)ccc23)ccc2cc(oc12)-c1ccccc1 Show InChI InChI=1S/C30H29NO5/c1-2-8-24-27(14-13-22-19-28(36-30(22)24)21-9-4-3-5-10-21)35-18-7-17-34-26-12-6-11-25-23(26)15-16-31(25)20-29(32)33/h3-6,9-16,19H,2,7-8,17-18,20H2,1H3,(H,32,33) | PDB
MMDB
NCI pathway
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 | 1.95E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Displacement of [3H]-rosiglitazone from human PPAR gamma by SPA assay |
J Med Chem 48: 8194-208 (2005)
Article DOI: 10.1021/jm0506930
BindingDB Entry DOI: 10.7270/Q2R78DS5 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50179237
(2-{4-[3-(7-propyl-3-trifluoromethylbenzo[d]isoxazo...)Show SMILES CCCc1c(OCCCOc2cccc3n(CC(O)=O)ccc23)ccc2c(noc12)C(F)(F)F Show InChI InChI=1S/C24H23F3N2O5/c1-2-5-16-20(9-8-17-22(16)34-28-23(17)24(25,26)27)33-13-4-12-32-19-7-3-6-18-15(19)10-11-29(18)14-21(30)31/h3,6-11H,2,4-5,12-14H2,1H3,(H,30,31) | PDB
MMDB
NCI pathway
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 | 1.99E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Displacement of [3H]-rosiglitazone from human PPAR gamma by SPA assay |
J Med Chem 48: 8194-208 (2005)
Article DOI: 10.1021/jm0506930
BindingDB Entry DOI: 10.7270/Q2R78DS5 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50179245
(2-(5-{3-[3-(2,2,2-trifluoroethyl-1-one)-7-propyl-1...)Show SMILES CCCc1c(OCCCOc2ccc3n(CC(O)=O)ccc3c2)ccc2c(c[nH]c12)C(=O)C(F)(F)F Show InChI InChI=1S/C26H25F3N2O5/c1-2-4-19-22(8-6-18-20(14-30-24(18)19)25(34)26(27,28)29)36-12-3-11-35-17-5-7-21-16(13-17)9-10-31(21)15-23(32)33/h5-10,13-14,30H,2-4,11-12,15H2,1H3,(H,32,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 2.41E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Displacement of [3H]-rosiglitazone from human PPAR gamma by SPA assay |
J Med Chem 48: 8194-208 (2005)
Article DOI: 10.1021/jm0506930
BindingDB Entry DOI: 10.7270/Q2R78DS5 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50322802
((5,6-Diphenylfuro[2,3-d]pyrimidin-4-yl)-(3-imidazo...)Show SMILES C(CNc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1)Cn1ccnc1 Show InChI InChI=1S/C24H21N5O/c1-3-8-18(9-4-1)20-21-23(26-12-7-14-29-15-13-25-17-29)27-16-28-24(21)30-22(20)19-10-5-2-6-11-19/h1-6,8-11,13,15-17H,7,12,14H2,(H,26,27,28) | 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 | 3.31E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
J Med Chem 53: 4980-8 (2010)
Checked by Author
Article DOI: 10.1021/jm1000198
BindingDB Entry DOI: 10.7270/Q2Z60P87 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50179242
(2-{4-[3-(3-phenyl-7-propylbenzo[b]furan-6-yloxy)pr...)Show SMILES CCCc1c(OCCCOc2cccc3n(CC(O)=O)ccc23)ccc2c(coc12)-c1ccccc1 Show InChI InChI=1S/C30H29NO5/c1-2-8-24-28(14-13-22-25(20-36-30(22)24)21-9-4-3-5-10-21)35-18-7-17-34-27-12-6-11-26-23(27)15-16-31(26)19-29(32)33/h3-6,9-16,20H,2,7-8,17-19H2,1H3,(H,32,33) | PDB
MMDB
NCI pathway
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 | 3.97E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Displacement of [3H]-rosiglitazone from human PPAR gamma by SPA assay |
J Med Chem 48: 8194-208 (2005)
Article DOI: 10.1021/jm0506930
BindingDB Entry DOI: 10.7270/Q2R78DS5 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50179228
(2-{5-[3-(7-propyl-1H-indol-6-yl)propoxy]indol-1-yl...)Show SMILES CCCc1c(OCCCOc2cccc3n(CC(O)=O)ccc23)ccc2cc[nH]c12 Show InChI InChI=1S/C24H26N2O4/c1-2-5-19-22(9-8-17-10-12-25-24(17)19)30-15-4-14-29-21-7-3-6-20-18(21)11-13-26(20)16-23(27)28/h3,6-13,25H,2,4-5,14-16H2,1H3,(H,27,28) | 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 | 4.81E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Displacement of [3H]-rosiglitazone from human PPAR gamma by SPA assay |
J Med Chem 48: 8194-208 (2005)
Article DOI: 10.1021/jm0506930
BindingDB Entry DOI: 10.7270/Q2R78DS5 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50322818
(CHEMBL1173465 | N-{4-[2-(5,6-Diphenylfuro[2,3-d]py...)Show SMILES O=S(=O)(Nc1ccc(CCNc2ncnc3oc(c(-c4ccccc4)c23)-c2ccccc2)cc1)c1ccccc1 Show InChI InChI=1S/C32H26N4O3S/c37-40(38,27-14-8-3-9-15-27)36-26-18-16-23(17-19-26)20-21-33-31-29-28(24-10-4-1-5-11-24)30(25-12-6-2-7-13-25)39-32(29)35-22-34-31/h1-19,22,36H,20-21H2,(H,33,34,35) | 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 | 5.83E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
J Med Chem 53: 4980-8 (2010)
Checked by Author
Article DOI: 10.1021/jm1000198
BindingDB Entry DOI: 10.7270/Q2Z60P87 |
More data for this
Ligand-Target Pair | |
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