new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 1613 hits with Last Name = 'hashimoto' and Initial = 'y'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Retinoid receptor


(Homo sapiens (Human))
BDBM31883
PNG
(9-cis-retinoic acid (9cRA) | ALL-TRANS-RETINOIC AC...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O |c:4|
Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
UniChem

Patents

MMDB
Article
PubMed
0.0400n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Agonistic activity of the compound towards retinoic acid receptor-gamma


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM31892
PNG
(9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O |c:4|
Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

DrugBank
PDB
Article
PubMed
1n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Agonistic activity of the compound towards retinoic acid receptor-gamma


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM31883
PNG
(9-cis-retinoic acid (9cRA) | ALL-TRANS-RETINOIC AC...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O |c:4|
Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
UniChem

Patents

Article
PubMed
3.30n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Agonistic activity of the compound towards retinoic acid receptor-alpha


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM31892
PNG
(9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O |c:4|
Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

DrugBank
PDB
Article
PubMed
3.80n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Agonistic activity of the compound towards retinoid X receptor-beta


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoid receptor


(Homo sapiens (Human))
BDBM31883
PNG
(9-cis-retinoic acid (9cRA) | ALL-TRANS-RETINOIC AC...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O |c:4|
Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
UniChem

Patents

Article
PubMed
4.10n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Agonistic activity of the compound towards retinoic acid receptor-beta


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50032675
PNG
(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

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents

MMDB
PDB
Article
PubMed
5.90n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Selective activity of the compound towards retinoid X receptor-beta


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50061625
PNG
(4-[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthal...)
Show SMILES CC1(C)CCC(C)(C)c2cc(NC(=O)c3ccc(cc3)C(O)=O)ccc12
Show InChI InChI=1S/C22H25NO3/c1-21(2)11-12-22(3,4)18-13-16(9-10-17(18)21)23-19(24)14-5-7-15(8-6-14)20(25)26/h5-10,13H,11-12H2,1-4H3,(H,23,24)(H,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

DrugBank
Article
PubMed
6.5n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Agonistic activity of the compound towards retinoic acid receptor-alpha


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50032675
PNG
(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
MMDB
PC cid
PC sid
PDB
UniChem

Patents

MMDB
PDB
Article
PubMed
8.30n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Selective activity of the compound towards retinoid X receptor-gamma


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50329707
PNG
((S)-3-(4-(3-(4-((S)-2-hydroxy-3,3-dimethylbutoxy)-...)
Show SMILES CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OC[C@@H](O)C(C)(C)C)c(C)c1
Show InChI InChI=1S/C28H42O5/c1-8-28(9-2,21-10-12-24(19(3)14-21)32-17-23(30)16-29)22-11-13-25(20(4)15-22)33-18-26(31)27(5,6)7/h10-15,23,26,29-31H,8-9,16-18H2,1-7H3/t23-,26+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
11n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Binding affinity to VDR receptor


Bioorg Med Chem Lett 20: 6661-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.011
BindingDB Entry DOI: 10.7270/Q20K29J4
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM31892
PNG
(9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O |c:4|
Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

DrugBank
MMDB
PDB
Article
PubMed
11n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Agonistic activity of the compound towards retinoid X receptor-gamma


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50329706
PNG
((2S)-3-{4-[1-ethyl-1-(4-{[(2R)-2-hydroxy-3,3-dimet...)
Show SMILES CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OC[C@H](O)C(C)(C)C)c(C)c1 |r|
Show InChI InChI=1S/C28H42O5/c1-8-28(9-2,21-10-12-24(19(3)14-21)32-17-23(30)16-29)22-11-13-25(20(4)15-22)33-18-26(31)27(5,6)7/h10-15,23,26,29-31H,8-9,16-18H2,1-7H3/t23-,26-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Article
PubMed
12n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Binding affinity to VDR receptor


Bioorg Med Chem Lett 20: 6661-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.011
BindingDB Entry DOI: 10.7270/Q20K29J4
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM31892
PNG
(9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O |c:4|
Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

DrugBank
PDB
Article
PubMed
12n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Agonistic activity of the compound towards retinoid X receptor-alpha


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50032675
PNG
(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
MMDB
PC cid
PC sid
PDB
UniChem

Patents

MMDB
PDB
Article
PubMed
16n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Selective activity of the compound towards retinoid X receptor-alpha


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoid receptor


(Homo sapiens (Human))
BDBM50061625
PNG
(4-[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthal...)
Show SMILES CC1(C)CCC(C)(C)c2cc(NC(=O)c3ccc(cc3)C(O)=O)ccc12
Show InChI InChI=1S/C22H25NO3/c1-21(2)11-12-22(3,4)18-13-16(9-10-17(18)21)23-19(24)14-5-7-15(8-6-14)20(25)26/h5-10,13H,11-12H2,1-4H3,(H,23,24)(H,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

DrugBank
Article
PubMed
30n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Agonistic activity of the compound towards retinoic acid receptor-beta


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50032675
PNG
(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

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
50n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Selective activity of the compound towards retinoic acid receptor-beta


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM31883
PNG
(9-cis-retinoic acid (9cRA) | ALL-TRANS-RETINOIC AC...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O |c:4|
Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
UniChem

Patents

Article
PubMed
54n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Agonistic activity of the compound towards retinoid X receptor-beta


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50252332
PNG
(4-[(Benzyl)(4-nitrophenyl)amino]-1-methylpyrrole-2...)
Show SMILES Cn1cc(cc1C(O)=O)N(Cc1ccccc1)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C19H17N3O4/c1-20-13-17(11-18(20)19(23)24)21(12-14-5-3-2-4-6-14)15-7-9-16(10-8-15)22(25)26/h2-11,13H,12H2,1H3,(H,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
75n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Displacement of [3H]testosterone from wild type human androgen receptor


Bioorg Med Chem 16: 6799-812 (2008)


Article DOI: 10.1016/j.bmc.2008.05.063
BindingDB Entry DOI: 10.7270/Q2MK6CPV
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50252385
PNG
(CHEMBL481139 | N,N-Diethyl 4-[(4-nitrophenyl)(benz...)
Show SMILES CCN(CC)C(=O)c1cc(cn1C)N(Cc1ccccc1)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C23H26N4O3/c1-4-25(5-2)23(28)22-15-21(17-24(22)3)26(16-18-9-7-6-8-10-18)19-11-13-20(14-12-19)27(29)30/h6-15,17H,4-5,16H2,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
100n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Displacement of [3H]testosterone from wild type human androgen receptor


Bioorg Med Chem 16: 6799-812 (2008)


Article DOI: 10.1016/j.bmc.2008.05.063
BindingDB Entry DOI: 10.7270/Q2MK6CPV
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50252176
PNG
(CHEMBL518945 | N-[4-[(Benzyl)(4-nitrophenyl)amino]...)
Show SMILES Cn1cc(cc1C(=O)N1CCCC1)N(Cc1ccccc1)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C23H24N4O3/c1-24-17-21(15-22(24)23(28)25-13-5-6-14-25)26(16-18-7-3-2-4-8-18)19-9-11-20(12-10-19)27(29)30/h2-4,7-12,15,17H,5-6,13-14,16H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
110n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Displacement of [3H]testosterone from wild type human androgen receptor


Bioorg Med Chem 16: 6799-812 (2008)


Article DOI: 10.1016/j.bmc.2008.05.063
BindingDB Entry DOI: 10.7270/Q2MK6CPV
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50252387
PNG
(CHEMBL520428 | N-[4-[(Benzyl)(4-nitrophenyl)amino]...)
Show SMILES Cn1cc(cc1C(=O)N1CCCCC1)N(Cc1ccccc1)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C24H26N4O3/c1-25-18-22(16-23(25)24(29)26-14-6-3-7-15-26)27(17-19-8-4-2-5-9-19)20-10-12-21(13-11-20)28(30)31/h2,4-5,8-13,16,18H,3,6-7,14-15,17H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
110n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Displacement of [3H]testosterone from wild type human androgen receptor


Bioorg Med Chem 16: 6799-812 (2008)


Article DOI: 10.1016/j.bmc.2008.05.063
BindingDB Entry DOI: 10.7270/Q2MK6CPV
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM31883
PNG
(9-cis-retinoic acid (9cRA) | ALL-TRANS-RETINOIC AC...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O |c:4|
Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
UniChem

Patents

Article
PubMed
120n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Agonistic activity of the compound towards retinoid X receptor-gamma


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50146556
PNG
(Acetic acid (R)-4-decyloxy-1-hydroxymethyl-3-oxo-1...)
Show SMILES CCCCCCCCCCOc1cccc2c1C(=O)O[C@]2(CO)COC(C)=O
Show InChI InChI=1S/C22H32O6/c1-3-4-5-6-7-8-9-10-14-26-19-13-11-12-18-20(19)21(25)28-22(18,15-23)16-27-17(2)24/h11-13,23H,3-10,14-16H2,1-2H3/t22-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
122n/an/an/an/an/an/an/an/a



Tohoku University

Curated by ChEMBL


Assay Description
Binding affinity for protein kinase C alpha


Bioorg Med Chem Lett 14: 2963-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.097
BindingDB Entry DOI: 10.7270/Q2GB23GP
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50146555
PNG
(Acetic acid (S)-4-decyloxy-1-hydroxymethyl-3-oxo-1...)
Show SMILES CCCCCCCCCCOc1cccc2c1C(=O)O[C@@]2(CO)COC(C)=O
Show InChI InChI=1S/C22H32O6/c1-3-4-5-6-7-8-9-10-14-26-19-13-11-12-18-20(19)21(25)28-22(18,15-23)16-27-17(2)24/h11-13,23H,3-10,14-16H2,1-2H3/t22-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
122n/an/an/an/an/an/an/an/a



Tohoku University

Curated by ChEMBL


Assay Description
Binding affinity for protein kinase C alpha


Bioorg Med Chem Lett 14: 2963-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.097
BindingDB Entry DOI: 10.7270/Q2GB23GP
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50146559
PNG
(But-3-enoic acid (R)-1-acetoxymethyl-1-hydroxymeth...)
Show SMILES CC(=O)OC[C@@]1(CO)OC(=O)c2c1cccc2OC(=O)CC=C
Show InChI InChI=1S/C16H16O7/c1-3-5-13(19)22-12-7-4-6-11-14(12)15(20)23-16(11,8-17)9-21-10(2)18/h3-4,6-7,17H,1,5,8-9H2,2H3/t16-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
122n/an/an/an/an/an/an/an/a



Tohoku University

Curated by ChEMBL


Assay Description
Binding affinity for protein kinase C alpha


Bioorg Med Chem Lett 14: 2963-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.097
BindingDB Entry DOI: 10.7270/Q2GB23GP
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50146558
PNG
(2,2-Dimethyl-propionic acid (S)-4-dodecyloxy-1-hyd...)
Show SMILES CCCCCCCCCCCCOc1cccc2c1C(=O)O[C@@]2(CO)COC(=O)C(C)(C)C
Show InChI InChI=1S/C27H42O6/c1-5-6-7-8-9-10-11-12-13-14-18-31-22-17-15-16-21-23(22)24(29)33-27(21,19-28)20-32-25(30)26(2,3)4/h15-17,28H,5-14,18-20H2,1-4H3/t27-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
122n/an/an/an/an/an/an/an/a



Tohoku University

Curated by ChEMBL


Assay Description
Binding affinity for protein kinase C alpha


Bioorg Med Chem Lett 14: 2963-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.097
BindingDB Entry DOI: 10.7270/Q2GB23GP
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50032675
PNG
(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

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
130n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Selective activity of the compound towards retinoic acid receptor-gamma


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50252276
PNG
(CHEMBL480955 | N-{4-[(Benzyl)(4-cyanophenyl)amino]...)
Show SMILES Cn1cc(cc1C(=O)N1CCCC1)N(Cc1ccccc1)c1ccc(cc1)C#N
Show InChI InChI=1S/C24H24N4O/c1-26-18-22(15-23(26)24(29)27-13-5-6-14-27)28(17-20-7-3-2-4-8-20)21-11-9-19(16-25)10-12-21/h2-4,7-12,15,18H,5-6,13-14,17H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
130n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Displacement of [3H]testosterone from wild type human androgen receptor


Bioorg Med Chem 16: 6799-812 (2008)


Article DOI: 10.1016/j.bmc.2008.05.063
BindingDB Entry DOI: 10.7270/Q2MK6CPV
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50252328
PNG
(CHEMBL479988 | N-{4-[(4-Acetylphenyl)(benzyl)amino...)
Show SMILES CC(=O)c1ccc(cc1)N(Cc1ccccc1)c1cc(C(=O)N2CCCC2)n(C)c1
Show InChI InChI=1S/C25H27N3O2/c1-19(29)21-10-12-22(13-11-21)28(17-20-8-4-3-5-9-20)23-16-24(26(2)18-23)25(30)27-14-6-7-15-27/h3-5,8-13,16,18H,6-7,14-15,17H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
140n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Displacement of [3H]testosterone from wild type human androgen receptor


Bioorg Med Chem 16: 6799-812 (2008)


Article DOI: 10.1016/j.bmc.2008.05.063
BindingDB Entry DOI: 10.7270/Q2MK6CPV
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50252331
PNG
(4-[(Benzyl)(4-nitrophenyl)amino]-2-hydroxymethyl-1...)
Show SMILES Cn1cc(cc1CO)N(Cc1ccccc1)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C19H19N3O3/c1-20-13-18(11-19(20)14-23)21(12-15-5-3-2-4-6-15)16-7-9-17(10-8-16)22(24)25/h2-11,13,23H,12,14H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
170n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Displacement of [3H]testosterone from wild type human androgen receptor


Bioorg Med Chem 16: 6799-812 (2008)


Article DOI: 10.1016/j.bmc.2008.05.063
BindingDB Entry DOI: 10.7270/Q2MK6CPV
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50032675
PNG
(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
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
180n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Selective activity of the compound towards retinoic acid receptor-alpha


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50252330
PNG
(CHEMBL521251 | Ethyl 4-[(benzyl)(4-nitrophenyl)ami...)
Show SMILES CCOC(=O)c1cc(cn1C)N(Cc1ccccc1)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C21H21N3O4/c1-3-28-21(25)20-13-19(15-22(20)2)23(14-16-7-5-4-6-8-16)17-9-11-18(12-10-17)24(26)27/h4-13,15H,3,14H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
180n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Displacement of [3H]testosterone from wild type human androgen receptor


Bioorg Med Chem 16: 6799-812 (2008)


Article DOI: 10.1016/j.bmc.2008.05.063
BindingDB Entry DOI: 10.7270/Q2MK6CPV
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50252329
PNG
(CHEMBL480959 | N-{4-[(Benzyl)(4-methoxycarbonylphe...)
Show SMILES COC(=O)c1ccc(cc1)N(Cc1ccccc1)c1cc(C(=O)N2CCCC2)n(C)c1
Show InChI InChI=1S/C25H27N3O3/c1-26-18-22(16-23(26)24(29)27-14-6-7-15-27)28(17-19-8-4-3-5-9-19)21-12-10-20(11-13-21)25(30)31-2/h3-5,8-13,16,18H,6-7,14-15,17H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
180n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Displacement of [3H]testosterone from wild type human androgen receptor


Bioorg Med Chem 16: 6799-812 (2008)


Article DOI: 10.1016/j.bmc.2008.05.063
BindingDB Entry DOI: 10.7270/Q2MK6CPV
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50061616
PNG
(4-(5,7,7,10,10-Pentamethyl-7,8,9,10-tetrahydro-5H-...)
Show SMILES CN1c2cc3c(cc2N=C(c2ccc(cc2)C(O)=O)c2ccccc12)C(C)(C)CCC3(C)C |t:9|
Show InChI InChI=1S/C29H30N2O2/c1-28(2)14-15-29(3,4)22-17-25-23(16-21(22)28)30-26(18-10-12-19(13-11-18)27(32)33)20-8-6-7-9-24(20)31(25)5/h6-13,16-17H,14-15H2,1-5H3,(H,32,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
220n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Antagonistic activity of the compound towards retinoic acid receptor-beta


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50252384
PNG
(4-[(Benzyl)(4-nitrophenyl)amino]-1-methylpyrrole-2...)
Show SMILES Cn1cc(cc1C(N)=O)N(Cc1ccccc1)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C19H18N4O3/c1-21-13-17(11-18(21)19(20)24)22(12-14-5-3-2-4-6-14)15-7-9-16(10-8-15)23(25)26/h2-11,13H,12H2,1H3,(H2,20,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
220n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Displacement of [3H]testosterone from wild type human androgen receptor


Bioorg Med Chem 16: 6799-812 (2008)


Article DOI: 10.1016/j.bmc.2008.05.063
BindingDB Entry DOI: 10.7270/Q2MK6CPV
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50252277
PNG
(CHEMBL521249 | N-{4-[(Benzyl)(4-trifluoromethylphe...)
Show SMILES Cn1cc(cc1C(=O)N1CCCC1)N(Cc1ccccc1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C24H24F3N3O/c1-28-17-21(15-22(28)23(31)29-13-5-6-14-29)30(16-18-7-3-2-4-8-18)20-11-9-19(10-12-20)24(25,26)27/h2-4,7-12,15,17H,5-6,13-14,16H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
270n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Displacement of [3H]testosterone from wild type human androgen receptor


Bioorg Med Chem 16: 6799-812 (2008)


Article DOI: 10.1016/j.bmc.2008.05.063
BindingDB Entry DOI: 10.7270/Q2MK6CPV
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50061618
PNG
(4-(7,7,10,10-Tetramethyl-7,8,9,10-tetrahydro-5-thi...)
Show SMILES CC1(C)CCC(C)(C)c2cc3c(Sc4ccccc4N=C3c3ccc(cc3)C(O)=O)cc12 |c:20|
Show InChI InChI=1S/C28H27NO2S/c1-27(2)13-14-28(3,4)21-16-24-19(15-20(21)27)25(17-9-11-18(12-10-17)26(30)31)29-22-7-5-6-8-23(22)32-24/h5-12,15-16H,13-14H2,1-4H3,(H,30,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
320n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Synergistic activity of the compound towards retinoic acid receptor-beta


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50061617
PNG
(4-(7,7,10,10-Tetramethyl-7,8,9,10-tetrahydro-5-oxa...)
Show SMILES CC1(C)CCC(C)(C)c2cc3c(Oc4ccccc4N=C3c3ccc(cc3)C(O)=O)cc12 |c:20|
Show InChI InChI=1S/C28H27NO3/c1-27(2)13-14-28(3,4)21-16-24-19(15-20(21)27)25(17-9-11-18(12-10-17)26(30)31)29-22-7-5-6-8-23(22)32-24/h5-12,15-16H,13-14H2,1-4H3,(H,30,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
320n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Synergistic activity of the compound towards retinoic acid receptor-beta


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50329704
PNG
((R)-3-(4-(3-(4-((R)-2-hydroxy-3,3-dimethylbutoxy)-...)
Show SMILES CCC(CC)(c1ccc(OC[C@H](O)CO)c(C)c1)c1ccc(OC[C@H](O)C(C)(C)C)c(C)c1
Show InChI InChI=1S/C28H42O5/c1-8-28(9-2,21-10-12-24(19(3)14-21)32-17-23(30)16-29)22-11-13-25(20(4)15-22)33-18-26(31)27(5,6)7/h10-15,23,26,29-31H,8-9,16-18H2,1-7H3/t23-,26+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
320n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Binding affinity to VDR receptor


Bioorg Med Chem Lett 20: 6661-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.011
BindingDB Entry DOI: 10.7270/Q20K29J4
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM31883
PNG
(9-cis-retinoic acid (9cRA) | ALL-TRANS-RETINOIC AC...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O |c:4|
Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
UniChem

Patents

Article
PubMed
330n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Agonisticactivity of the compound towards retinoid X receptor-alpha


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50252450
PNG
(CHEMBL482063 | N-[4-[(Benzyl)(4-nitrophenyl)amino]...)
Show SMILES [O-][N+](=O)c1ccc(cc1)N(Cc1ccccc1)c1ccc(cc1)C(=O)N1CCCC1
Show InChI InChI=1S/C24H23N3O3/c28-24(25-16-4-5-17-25)20-8-10-21(11-9-20)26(18-19-6-2-1-3-7-19)22-12-14-23(15-13-22)27(29)30/h1-3,6-15H,4-5,16-18H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
340n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Displacement of [3H]testosterone from wild type human androgen receptor


Bioorg Med Chem 16: 6799-812 (2008)


Article DOI: 10.1016/j.bmc.2008.05.063
BindingDB Entry DOI: 10.7270/Q2MK6CPV
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50252124
PNG
(CHEMBL481514 | N-[4-[(Benzyl)(3,5-dimethylphenyl)a...)
Show SMILES Cc1cc(C)cc(c1)N(Cc1ccccc1)c1cc(C(=O)N2CCCC2)n(C)c1
Show InChI InChI=1S/C25H29N3O/c1-19-13-20(2)15-22(14-19)28(17-21-9-5-4-6-10-21)23-16-24(26(3)18-23)25(29)27-11-7-8-12-27/h4-6,9-10,13-16,18H,7-8,11-12,17H2,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
350n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Displacement of [3H]testosterone from wild type human androgen receptor


Bioorg Med Chem 16: 6799-812 (2008)


Article DOI: 10.1016/j.bmc.2008.05.063
BindingDB Entry DOI: 10.7270/Q2MK6CPV
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50252451
PNG
(CHEMBL482064 | N-[3-[(Benzyl)(4-nitrophenyl)amino]...)
Show SMILES [O-][N+](=O)c1ccc(cc1)N(Cc1ccccc1)c1cccc(c1)C(=O)N1CCCC1
Show InChI InChI=1S/C24H23N3O3/c28-24(25-15-4-5-16-25)20-9-6-10-23(17-20)26(18-19-7-2-1-3-8-19)21-11-13-22(14-12-21)27(29)30/h1-3,6-14,17H,4-5,15-16,18H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
370n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Displacement of [3H]testosterone from wild type human androgen receptor


Bioorg Med Chem 16: 6799-812 (2008)


Article DOI: 10.1016/j.bmc.2008.05.063
BindingDB Entry DOI: 10.7270/Q2MK6CPV
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50061618
PNG
(4-(7,7,10,10-Tetramethyl-7,8,9,10-tetrahydro-5-thi...)
Show SMILES CC1(C)CCC(C)(C)c2cc3c(Sc4ccccc4N=C3c3ccc(cc3)C(O)=O)cc12 |c:20|
Show InChI InChI=1S/C28H27NO2S/c1-27(2)13-14-28(3,4)21-16-24-19(15-20(21)27)25(17-9-11-18(12-10-17)26(30)31)29-22-7-5-6-8-23(22)32-24/h5-12,15-16H,13-14H2,1-4H3,(H,30,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
400n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Synergistic activity of the compound towards retinoid X receptor-beta


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM35909
PNG
(2-Hydroxy-2-methyl-N-(4-nitro-3-trifluoromethyl-ph...)
Show SMILES CC(C)(O)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O
Show InChI InChI=1S/C11H11F3N2O4/c1-10(2,18)9(17)15-6-3-4-8(16(19)20)7(5-6)11(12,13)14/h3-5,18H,1-2H3,(H,15,17)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PDB
Article
PubMed
430n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Displacement of [3H]testosterone from wild type human androgen receptor


Bioorg Med Chem 16: 6799-812 (2008)


Article DOI: 10.1016/j.bmc.2008.05.063
BindingDB Entry DOI: 10.7270/Q2MK6CPV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoid receptor


(Homo sapiens (Human))
BDBM50061615
PNG
(4-(10,10,13,13,15-Pentamethyl-11,12,13,15-tetrahyd...)
Show SMILES CN1c2cc3c(cc2N=C(c2ccc(cc2)C(O)=O)c2ccc4ccccc4c12)C(C)(C)CCC3(C)C |t:9|
Show InChI InChI=1S/C33H32N2O2/c1-32(2)16-17-33(3,4)26-19-28-27(18-25(26)32)34-29(21-10-12-22(13-11-21)31(36)37)24-15-14-20-8-6-7-9-23(20)30(24)35(28)5/h6-15,18-19H,16-17H2,1-5H3,(H,36,37)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
490n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Antagonistic activity of the compound towards retinoic acid receptor-gamma


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50252123
PNG
(CHEMBL519450 | N-[4-[(Cyclohexylmethyl)(3,5-dimeth...)
Show SMILES Cc1cc(C)cc(c1)N(CC1CCCCC1)c1cc(C(=O)N2CCCC2)n(C)c1
Show InChI InChI=1S/C25H35N3O/c1-19-13-20(2)15-22(14-19)28(17-21-9-5-4-6-10-21)23-16-24(26(3)18-23)25(29)27-11-7-8-12-27/h13-16,18,21H,4-12,17H2,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
490n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Displacement of [3H]testosterone from wild type human androgen receptor


Bioorg Med Chem 16: 6799-812 (2008)


Article DOI: 10.1016/j.bmc.2008.05.063
BindingDB Entry DOI: 10.7270/Q2MK6CPV
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50061615
PNG
(4-(10,10,13,13,15-Pentamethyl-11,12,13,15-tetrahyd...)
Show SMILES CN1c2cc3c(cc2N=C(c2ccc(cc2)C(O)=O)c2ccc4ccccc4c12)C(C)(C)CCC3(C)C |t:9|
Show InChI InChI=1S/C33H32N2O2/c1-32(2)16-17-33(3,4)26-19-28-27(18-25(26)32)34-29(21-10-12-22(13-11-21)31(36)37)24-15-14-20-8-6-7-9-23(20)30(24)35(28)5/h6-15,18-19H,16-17H2,1-5H3,(H,36,37)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
500n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Antagonistic activity of the compound towards retinoic acid receptor-beta


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
Solute carrier organic anion transporter family member 1A3


(Rattus norvegicus)
BDBM50367055
PNG
(4-Aminofolic acid | 4-Aminopteroic acid | AMINOPTE...)
Show SMILES Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cnc2n1 |r|
Show InChI InChI=1S/C19H20N8O5/c20-15-14-16(27-19(21)26-15)23-8-11(24-14)7-22-10-3-1-9(2-4-10)17(30)25-12(18(31)32)5-6-13(28)29/h1-4,8,12,22H,5-7H2,(H,25,30)(H,28,29)(H,31,32)(H4,20,21,23,26,27)/t12-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
PubMed
500n/an/an/an/an/an/an/an/a



Kyoto University Hospital

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of MTX uptake in OAT-K1-expressing MDCK cells


J Pharmacol Exp Ther 293: 1034-9 (2000)


BindingDB Entry DOI: 10.7270/Q2PK0HFQ
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50252175
PNG
(CHEMBL519780 | N-[4-[(Cyclohexylmethyl)(4-nitrophe...)
Show SMILES Cn1cc(cc1C(=O)N1CCCC1)N(CC1CCCCC1)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C23H30N4O3/c1-24-17-21(15-22(24)23(28)25-13-5-6-14-25)26(16-18-7-3-2-4-8-18)19-9-11-20(12-10-19)27(29)30/h9-12,15,17-18H,2-8,13-14,16H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
520n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Displacement of [3H]testosterone from wild type human androgen receptor


Bioorg Med Chem 16: 6799-812 (2008)


Article DOI: 10.1016/j.bmc.2008.05.063
BindingDB Entry DOI: 10.7270/Q2MK6CPV
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50146554
PNG
(CHEMBL102042 | Octanoic acid (S)-2-acetoxy-3-hydro...)
Show SMILES CCCCCCCC(=O)OC[C@H](CO)OC(C)=O
Show InChI InChI=1S/C13H24O5/c1-3-4-5-6-7-8-13(16)17-10-12(9-14)18-11(2)15/h12,14H,3-10H2,1-2H3/t12-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
540n/an/an/an/an/an/an/an/a



Tohoku University

Curated by ChEMBL


Assay Description
Binding affinity for protein kinase C alpha


Bioorg Med Chem Lett 14: 2963-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.097
BindingDB Entry DOI: 10.7270/Q2GB23GP
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 1613 total )  |  Next  |  Last  >>
Jump to: