Found 14 hits with Last Name = 'shinozaki' and Initial = 'r' 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 |
|---|
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50032675
(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C Show InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26) | 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
| DrugBank
MMDB
PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 19.8 | n/a | n/a | n/a | n/a |
Okayama University
Curated by ChEMBL
| Assay Description
Agonist activity at RXRalpha by luciferase reporter gene assay |
Bioorg Med Chem Lett 20: 5139-42 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.012
BindingDB Entry DOI: 10.7270/Q20G3KB3 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50324895
(2-[N-Ethyl(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-...)Show SMILES CCN(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccc(cn1)-c1nnn[nH]1 Show InChI InChI=1S/C22H28N6/c1-6-28(19-10-7-15(14-23-19)20-24-26-27-25-20)16-8-9-17-18(13-16)22(4,5)12-11-21(17,2)3/h7-10,13-14H,6,11-12H2,1-5H3,(H,24,25,26,27) | 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 | n/a | n/a | 205 | n/a | n/a | n/a | n/a |
Okayama University
Curated by ChEMBL
| Assay Description
Agonist activity at RXRalpha by luciferase reporter gene assay |
Bioorg Med Chem Lett 20: 5139-42 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.012
BindingDB Entry DOI: 10.7270/Q20G3KB3 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50324896
(6-[N-Ethyl(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-...)Show SMILES CCN(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccc(cn1)C(O)=O Show InChI InChI=1S/C22H28N2O2/c1-6-24(19-10-7-15(14-23-19)20(25)26)16-8-9-17-18(13-16)22(4,5)12-11-21(17,2)3/h7-10,13-14H,6,11-12H2,1-5H3,(H,25,26) | 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 | n/a | n/a | 5.28 | n/a | n/a | n/a | n/a |
Okayama University
Curated by ChEMBL
| Assay Description
Agonist activity at RXRalpha by luciferase reporter gene assay |
Bioorg Med Chem Lett 20: 5139-42 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.012
BindingDB Entry DOI: 10.7270/Q20G3KB3 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50325037
(6-(ethyl(8-methyl-7-oxo-5-(trifluoromethyl)-7,8-di...)Show SMILES CCN(c1ccc(cn1)C(O)=O)c1ccc2c(cc(=O)n(C)c2n1)C(F)(F)F Show InChI InChI=1S/C18H15F3N4O3/c1-3-25(13-6-4-10(9-22-13)17(27)28)14-7-5-11-12(18(19,20)21)8-15(26)24(2)16(11)23-14/h4-9H,3H2,1-2H3,(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 | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a |
Okayama University
Curated by ChEMBL
| Assay Description
Agonist activity at human RXRalpha expressed in human COS7 cells by luciferase reporter gene assay |
Bioorg Med Chem Lett 20: 5143-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.011
BindingDB Entry DOI: 10.7270/Q2ZG6SG6 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50325038
(6-(ethyl(8-ethyl-7-oxo-5-(trifluoromethyl)-7,8-dih...)Show SMILES CCN(c1ccc(cn1)C(O)=O)c1ccc2c(cc(=O)n(CC)c2n1)C(F)(F)F Show InChI InChI=1S/C19H17F3N4O3/c1-3-25(14-7-5-11(10-23-14)18(28)29)15-8-6-12-13(19(20,21)22)9-16(27)26(4-2)17(12)24-15/h5-10H,3-4H2,1-2H3,(H,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 | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a |
Okayama University
Curated by ChEMBL
| Assay Description
Agonist activity at human RXRalpha expressed in human COS7 cells by luciferase reporter gene assay |
Bioorg Med Chem Lett 20: 5143-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.011
BindingDB Entry DOI: 10.7270/Q2ZG6SG6 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50325039
(6-(ethyl(1-isobutyl-2-oxo-4-(trifluoromethyl)-1,2-...)Show SMILES CCN(c1ccc(cn1)C(O)=O)c1ccc2c(cc(=O)n(CC(C)C)c2n1)C(F)(F)F Show InChI InChI=1S/C21H21F3N4O3/c1-4-27(16-7-5-13(10-25-16)20(30)31)17-8-6-14-15(21(22,23)24)9-18(29)28(11-12(2)3)19(14)26-17/h5-10,12H,4,11H2,1-3H3,(H,30,31) | 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 | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a |
Okayama University
Curated by ChEMBL
| Assay Description
Agonist activity at human RXRalpha expressed in human COS7 cells by luciferase reporter gene assay |
Bioorg Med Chem Lett 20: 5143-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.011
BindingDB Entry DOI: 10.7270/Q2ZG6SG6 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50429866
(CHEMBL2332887)Show SMILES Cc1cc2c(cc1-n1c(nc3cc(ccc13)C(O)=O)C(F)(F)F)C(C)(C)CCC2(C)C |(23.28,-13.29,;21.95,-14.06,;20.61,-13.28,;19.28,-14.05,;19.28,-15.59,;20.6,-16.36,;21.94,-15.6,;23.27,-16.37,;23.43,-17.9,;24.94,-18.23,;25.71,-16.9,;27.22,-16.58,;27.7,-15.12,;26.67,-13.97,;25.17,-14.29,;24.69,-15.75,;29.21,-14.81,;30.24,-15.95,;29.69,-13.33,;22.29,-18.93,;20.84,-18.45,;22.61,-20.43,;21.2,-20.01,;17.92,-16.37,;16.94,-17.54,;18.94,-17.52,;16.61,-15.59,;16.6,-14.04,;17.96,-13.26,;18.94,-12.09,;16.93,-12.11,)| Show InChI InChI=1S/C24H25F3N2O2/c1-13-10-15-16(23(4,5)9-8-22(15,2)3)12-19(13)29-18-7-6-14(20(30)31)11-17(18)28-21(29)24(25,26)27/h6-7,10-12H,8-9H2,1-5H3,(H,30,31) | 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 | n/a | n/a | 15 | n/a | n/a | n/a | n/a |
Okayama University Graduate School of Medicine
Curated by ChEMBL
| Assay Description
Partial agonist activity at RXRalpha (unknown origin) expressed in COS1 cells after 18 hrs by luciferase reporter gene assay |
J Med Chem 56: 1865-77 (2013)
Article DOI: 10.1021/jm400033f
BindingDB Entry DOI: 10.7270/Q2348MR8 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50429862
(CHEMBL2146900)Show SMILES Cc1nc2cc(ccc2n1-c1cc2c(cc1C)C(C)(C)CCC2(C)C)C(O)=O |(13.72,1.99,;13.41,.48,;14.44,-.67,;13.67,-2.01,;14.15,-3.47,;13.12,-4.61,;11.61,-4.29,;11.13,-2.83,;12.16,-1.68,;12.01,-.16,;10.67,.61,;9.34,-.16,;8.01,.61,;8.01,2.15,;9.33,2.92,;10.66,2.16,;12,2.93,;6.67,2.93,;5.89,4.27,;7.44,4.27,;5.35,2.15,;5.35,.61,;6.67,-.16,;7.43,-1.49,;5.9,-1.48,;13.61,-6.08,;12.58,-7.23,;15.12,-6.4,)| Show InChI InChI=1S/C24H28N2O2/c1-14-11-17-18(24(5,6)10-9-23(17,3)4)13-21(14)26-15(2)25-19-12-16(22(27)28)7-8-20(19)26/h7-8,11-13H,9-10H2,1-6H3,(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 | n/a | n/a | 367 | n/a | n/a | n/a | n/a |
Okayama University Graduate School of Medicine
Curated by ChEMBL
| Assay Description
Partial agonist activity at RXRalpha (unknown origin) expressed in COS1 cells after 18 hrs by luciferase reporter gene assay |
J Med Chem 56: 1865-77 (2013)
Article DOI: 10.1021/jm400033f
BindingDB Entry DOI: 10.7270/Q2348MR8 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50429863
(CHEMBL2332885)Show SMILES Cc1cc2c(cc1-n1cnc3cc(ccc13)C(O)=O)C(C)(C)CCC2(C)C Show InChI InChI=1S/C23H26N2O2/c1-14-10-16-17(23(4,5)9-8-22(16,2)3)12-20(14)25-13-24-18-11-15(21(26)27)6-7-19(18)25/h6-7,10-13H,8-9H2,1-5H3,(H,26,27) | 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 | n/a | n/a | 633 | n/a | n/a | n/a | n/a |
Okayama University Graduate School of Medicine
Curated by ChEMBL
| Assay Description
Partial agonist activity at RXRalpha (unknown origin) expressed in COS1 cells after 18 hrs by luciferase reporter gene assay |
J Med Chem 56: 1865-77 (2013)
Article DOI: 10.1021/jm400033f
BindingDB Entry DOI: 10.7270/Q2348MR8 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50429864
(CHEMBL2332886)Show SMILES Cc1cc2c(cc1-n1c(N)nc3cc(ccc13)C(O)=O)C(C)(C)CCC2(C)C |(24.03,-22.65,;22.68,-21.9,;21.37,-22.7,;20.02,-21.95,;19.98,-20.42,;21.31,-19.62,;22.65,-20.36,;23.97,-19.57,;25.39,-20.16,;25.73,-21.66,;26.39,-19,;25.6,-17.68,;26.04,-16.21,;24.99,-15.09,;23.49,-15.43,;23.05,-16.91,;24.1,-18.03,;25.44,-13.61,;26.94,-13.26,;24.38,-12.48,;18.66,-19.65,;17.6,-18.53,;19.6,-18.48,;17.32,-20.47,;17.35,-22.01,;18.68,-22.77,;19.73,-23.89,;17.73,-23.95,)| Show InChI InChI=1S/C23H27N3O2/c1-13-10-15-16(23(4,5)9-8-22(15,2)3)12-19(13)26-18-7-6-14(20(27)28)11-17(18)25-21(26)24/h6-7,10-12H,8-9H2,1-5H3,(H2,24,25)(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 | n/a | n/a | 155 | n/a | n/a | n/a | n/a |
Okayama University Graduate School of Medicine
Curated by ChEMBL
| Assay Description
Partial agonist activity at RXRalpha (unknown origin) expressed in COS1 cells after 18 hrs by luciferase reporter gene assay |
J Med Chem 56: 1865-77 (2013)
Article DOI: 10.1021/jm400033f
BindingDB Entry DOI: 10.7270/Q2348MR8 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50429865
(CHEMBL2332890)Show SMILES Cc1cc2c(cc1-n1ccc3cc(ccc13)C(O)=O)C(C)(C)CCC2(C)C Show InChI InChI=1S/C24H27NO2/c1-15-12-18-19(24(4,5)10-9-23(18,2)3)14-21(15)25-11-8-16-13-17(22(26)27)6-7-20(16)25/h6-8,11-14H,9-10H2,1-5H3,(H,26,27) | 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 | n/a | n/a | 83 | n/a | n/a | n/a | n/a |
Okayama University Graduate School of Medicine
Curated by ChEMBL
| Assay Description
Partial agonist activity at RXRalpha (unknown origin) expressed in COS1 cells after 18 hrs by luciferase reporter gene assay |
J Med Chem 56: 1865-77 (2013)
Article DOI: 10.1021/jm400033f
BindingDB Entry DOI: 10.7270/Q2348MR8 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50391814
(CHEMBL2146901)Show SMILES Cc1cc2c(cc1-n1nnc3cc(ccc13)C(O)=O)C(C)(C)CCC2(C)C Show InChI InChI=1S/C22H25N3O2/c1-13-10-15-16(22(4,5)9-8-21(15,2)3)12-19(13)25-18-7-6-14(20(26)27)11-17(18)23-24-25/h6-7,10-12H,8-9H2,1-5H3,(H,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 143 | n/a | n/a | n/a | n/a |
Okayama University Graduate School of Medicine
Curated by ChEMBL
| Assay Description
Partial agonist activity at RXRalpha (unknown origin) expressed in COS1 cells after 18 hrs by luciferase reporter gene assay |
J Med Chem 56: 1865-77 (2013)
Article DOI: 10.1021/jm400033f
BindingDB Entry DOI: 10.7270/Q2348MR8 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50324896
(6-[N-Ethyl(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-...)Show SMILES CCN(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccc(cn1)C(O)=O Show InChI InChI=1S/C22H28N2O2/c1-6-24(19-10-7-15(14-23-19)20(25)26)16-8-9-17-18(13-16)22(4,5)12-11-21(17,2)3/h7-10,13-14H,6,11-12H2,1-5H3,(H,25,26) | 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 | n/a | n/a | 3.80 | n/a | n/a | n/a | n/a |
Okayama University Graduate School of Medicine
Curated by ChEMBL
| Assay Description
Partial agonist activity at RXRalpha (unknown origin) expressed in COS1 cells after 18 hrs by luciferase reporter gene assay |
J Med Chem 56: 1865-77 (2013)
Article DOI: 10.1021/jm400033f
BindingDB Entry DOI: 10.7270/Q2348MR8 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50391814
(CHEMBL2146901)Show SMILES Cc1cc2c(cc1-n1nnc3cc(ccc13)C(O)=O)C(C)(C)CCC2(C)C Show InChI InChI=1S/C22H25N3O2/c1-13-10-15-16(22(4,5)9-8-21(15,2)3)12-19(13)25-18-7-6-14(20(26)27)11-17(18)23-24-25/h6-7,10-12H,8-9H2,1-5H3,(H,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 143 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Partial agonist activity at RXRalpha expressed in human Cos1 cells after 18 hrs by SEAP reporter gene assay |
ACS Med Chem Lett 3: 427-432 (2012)
Article DOI: 10.1021/ml300055n
BindingDB Entry DOI: 10.7270/Q2C24XH4 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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