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

Found 755 hits with Last Name = 'yamaguchi' and Initial = 't'   
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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50057433
PNG
(CHEMBL278806 | [2-(5-Fluoro-chroman-8-yloxy)-ethyl...)
Show SMILES COc1ccc(CCCCNCCOc2ccc(F)c3CCCOc23)cc1
Show InChI InChI=1S/C22H28FNO3/c1-25-18-9-7-17(8-10-18)5-2-3-13-24-14-16-26-21-12-11-20(23)19-6-4-15-27-22(19)21/h7-12,24H,2-6,13-16H2,1H3
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.0500n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from rat hippocampal 5-hydroxytryptamine 1A receptor


J Med Chem 40: 1252-7 (1997)


Article DOI: 10.1021/jm960760d
BindingDB Entry DOI: 10.7270/Q20R9Q26
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50057432
PNG
(CHEMBL25215 | [2-(Chroman-8-yloxy)-ethyl]-[4-(4-me...)
Show SMILES COc1ccc(CCCCNCCOc2cccc3CCCOc23)cc1
Show InChI InChI=1S/C22H29NO3/c1-24-20-12-10-18(11-13-20)6-2-3-14-23-15-17-25-21-9-4-7-19-8-5-16-26-22(19)21/h4,7,9-13,23H,2-3,5-6,8,14-17H2,1H3
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.120n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from rat hippocampal 5-hydroxytryptamine 1A receptor


J Med Chem 40: 1252-7 (1997)


Article DOI: 10.1021/jm960760d
BindingDB Entry DOI: 10.7270/Q20R9Q26
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50065562
PNG
(CHEMBL96279 | [2-(6-Fluoro-2,2-dimethyl-chroman-8-...)
Show SMILES COc1ccc(CCCCNCCOc2cc(F)cc3CCC(C)(C)Oc23)cc1
Show InChI InChI=1S/C24H32FNO3/c1-24(2)12-11-19-16-20(25)17-22(23(19)29-24)28-15-14-26-13-5-4-6-18-7-9-21(27-3)10-8-18/h7-10,16-17,26H,4-6,11-15H2,1-3H3
Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.149n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D2 on rat striatum using [3H]-spiperone as radioligand.


J Med Chem 41: 2765-78 (1998)


Article DOI: 10.1021/jm9707840
BindingDB Entry DOI: 10.7270/Q2K073CQ
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50065578
PNG
(CHEMBL419147 | [2-(6-Fluoro-2H-chromen-8-yloxy)-et...)
Show SMILES COc1ccc(CCCCNCCOc2cc(F)cc3C=CCOc23)cc1 |c:20|
Show InChI InChI=1S/C22H26FNO3/c1-25-20-9-7-17(8-10-20)5-2-3-11-24-12-14-26-21-16-19(23)15-18-6-4-13-27-22(18)21/h4,6-10,15-16,24H,2-3,5,11-14H2,1H3
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.159n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor on rat hippocampus using [3H]-8-OH-DPAT as radioligand.


J Med Chem 41: 2765-78 (1998)


Article DOI: 10.1021/jm9707840
BindingDB Entry DOI: 10.7270/Q2K073CQ
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50065555
PNG
(CHEMBL96578 | [2-(6-Fluoro-2-methyl-chroman-8-ylox...)
Show SMILES COc1ccc(CCNCCOc2cc(F)cc3CCC(C)Oc23)cc1
Show InChI InChI=1S/C21H26FNO3/c1-15-3-6-17-13-18(22)14-20(21(17)26-15)25-12-11-23-10-9-16-4-7-19(24-2)8-5-16/h4-5,7-8,13-15,23H,3,6,9-12H2,1-2H3
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.188n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor on rat hippocampus using [3H]-8-OH-DPAT as radioligand.


J Med Chem 41: 2765-78 (1998)


Article DOI: 10.1021/jm9707840
BindingDB Entry DOI: 10.7270/Q2K073CQ
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50057436
PNG
(CHEMBL25213 | [2-(6-Fluoro-chroman-8-yloxy)-ethyl]...)
Show SMILES COc1ccc(CCCCNCCOc2cc(F)cc3CCCOc23)cc1
Show InChI InChI=1S/C22H28FNO3/c1-25-20-9-7-17(8-10-20)5-2-3-11-24-12-14-26-21-16-19(23)15-18-6-4-13-27-22(18)21/h7-10,15-16,24H,2-6,11-14H2,1H3
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.220n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from rat hippocampal 5-hydroxytryptamine 1A receptor


J Med Chem 40: 1252-7 (1997)


Article DOI: 10.1021/jm960760d
BindingDB Entry DOI: 10.7270/Q20R9Q26
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50057436
PNG
(CHEMBL25213 | [2-(6-Fluoro-chroman-8-yloxy)-ethyl]...)
Show SMILES COc1ccc(CCCCNCCOc2cc(F)cc3CCCOc23)cc1
Show InChI InChI=1S/C22H28FNO3/c1-25-20-9-7-17(8-10-20)5-2-3-11-24-12-14-26-21-16-19(23)15-18-6-4-13-27-22(18)21/h7-10,15-16,24H,2-6,11-14H2,1H3
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.221n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor on rat hippocampus using [3H]-8-OH-DPAT as radioligand.


J Med Chem 41: 2765-78 (1998)


Article DOI: 10.1021/jm9707840
BindingDB Entry DOI: 10.7270/Q2K073CQ
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50057436
PNG
(CHEMBL25213 | [2-(6-Fluoro-chroman-8-yloxy)-ethyl]...)
Show SMILES COc1ccc(CCCCNCCOc2cc(F)cc3CCCOc23)cc1
Show InChI InChI=1S/C22H28FNO3/c1-25-20-9-7-17(8-10-20)5-2-3-11-24-12-14-26-21-16-19(23)15-18-6-4-13-27-22(18)21/h7-10,15-16,24H,2-6,11-14H2,1H3
Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.259n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D2 on rat striatum using [3H]-spiperone as radioligand.


J Med Chem 41: 2765-78 (1998)


Article DOI: 10.1021/jm9707840
BindingDB Entry DOI: 10.7270/Q2K073CQ
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50057436
PNG
(CHEMBL25213 | [2-(6-Fluoro-chroman-8-yloxy)-ethyl]...)
Show SMILES COc1ccc(CCCCNCCOc2cc(F)cc3CCCOc23)cc1
Show InChI InChI=1S/C22H28FNO3/c1-25-20-9-7-17(8-10-20)5-2-3-11-24-12-14-26-21-16-19(23)15-18-6-4-13-27-22(18)21/h7-10,15-16,24H,2-6,11-14H2,1H3
Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.260n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro radioligand binding assay on Dopamine receptor D2 of rat striatum using [3H]- spiperone


J Med Chem 40: 1252-7 (1997)


Article DOI: 10.1021/jm960760d
BindingDB Entry DOI: 10.7270/Q20R9Q26
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50065573
PNG
(CHEMBL96222 | [2-(6-Fluoro-2-methyl-chroman-8-ylox...)
Show SMILES COc1ccc(CCCCNCCOc2cc(F)cc3CCC(C)Oc23)cc1
Show InChI InChI=1S/C23H30FNO3/c1-17-6-9-19-15-20(24)16-22(23(19)28-17)27-14-13-25-12-4-3-5-18-7-10-21(26-2)11-8-18/h7-8,10-11,15-17,25H,3-6,9,12-14H2,1-2H3
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.270n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor on rat hippocampus using [3H]-8-OH-DPAT as radioligand.


J Med Chem 41: 2765-78 (1998)


Article DOI: 10.1021/jm9707840
BindingDB Entry DOI: 10.7270/Q2K073CQ
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50057434
PNG
(8-{2-[4-(4-Methoxy-phenyl)-butylamino]-ethoxy}-chr...)
Show SMILES COc1ccc(CCCCNCCOc2cc(O)cc3CCCOc23)cc1
Show InChI InChI=1S/C22H29NO4/c1-25-20-9-7-17(8-10-20)5-2-3-11-23-12-14-26-21-16-19(24)15-18-6-4-13-27-22(18)21/h7-10,15-16,23-24H,2-6,11-14H2,1H3
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.270n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from rat hippocampal 5-hydroxytryptamine 1A receptor


J Med Chem 40: 1252-7 (1997)


Article DOI: 10.1021/jm960760d
BindingDB Entry DOI: 10.7270/Q20R9Q26
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50065578
PNG
(CHEMBL419147 | [2-(6-Fluoro-2H-chromen-8-yloxy)-et...)
Show SMILES COc1ccc(CCCCNCCOc2cc(F)cc3C=CCOc23)cc1 |c:20|
Show InChI InChI=1S/C22H26FNO3/c1-25-20-9-7-17(8-10-20)5-2-3-11-24-12-14-26-21-16-19(23)15-18-6-4-13-27-22(18)21/h4,6-10,15-16,24H,2-3,5,11-14H2,1H3
Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.288n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D2 on rat striatum using [3H]-spiperone as radioligand.


J Med Chem 41: 2765-78 (1998)


Article DOI: 10.1021/jm9707840
BindingDB Entry DOI: 10.7270/Q2K073CQ
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50065573
PNG
(CHEMBL96222 | [2-(6-Fluoro-2-methyl-chroman-8-ylox...)
Show SMILES COc1ccc(CCCCNCCOc2cc(F)cc3CCC(C)Oc23)cc1
Show InChI InChI=1S/C23H30FNO3/c1-17-6-9-19-15-20(24)16-22(23(19)28-17)27-14-13-25-12-4-3-5-18-7-10-21(26-2)11-8-18/h7-8,10-11,15-17,25H,3-6,9,12-14H2,1-2H3
Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.312n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D2 on rat striatum using [3H]-spiperone as radioligand.


J Med Chem 41: 2765-78 (1998)


Article DOI: 10.1021/jm9707840
BindingDB Entry DOI: 10.7270/Q2K073CQ
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50057429
PNG
(CHEMBL22328 | [2-(7-Fluoro-chroman-8-yloxy)-ethyl]...)
Show SMILES COc1ccc(CCCCNCCOc2c(F)ccc3CCCOc23)cc1
Show InChI InChI=1S/C22H28FNO3/c1-25-19-10-7-17(8-11-19)5-2-3-13-24-14-16-27-22-20(23)12-9-18-6-4-15-26-21(18)22/h7-12,24H,2-6,13-16H2,1H3
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.350n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from rat hippocampal 5-hydroxytryptamine 1A receptor


J Med Chem 40: 1252-7 (1997)


Article DOI: 10.1021/jm960760d
BindingDB Entry DOI: 10.7270/Q20R9Q26
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50065562
PNG
(CHEMBL96279 | [2-(6-Fluoro-2,2-dimethyl-chroman-8-...)
Show SMILES COc1ccc(CCCCNCCOc2cc(F)cc3CCC(C)(C)Oc23)cc1
Show InChI InChI=1S/C24H32FNO3/c1-24(2)12-11-19-16-20(25)17-22(23(19)29-24)28-15-14-26-13-5-4-6-18-7-9-21(27-3)10-8-18/h7-10,16-17,26H,4-6,11-15H2,1-3H3
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.435n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor on rat hippocampus using [3H]-8-OH-DPAT as radioligand.


J Med Chem 41: 2765-78 (1998)


Article DOI: 10.1021/jm9707840
BindingDB Entry DOI: 10.7270/Q2K073CQ
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50057428
PNG
(CHEMBL22682 | [2-(6-Chloro-chroman-8-yloxy)-ethyl]...)
Show SMILES COc1ccc(CCCCNCCOc2cc(Cl)cc3CCCOc23)cc1
Show InChI InChI=1S/C22H28ClNO3/c1-25-20-9-7-17(8-10-20)5-2-3-11-24-12-14-26-21-16-19(23)15-18-6-4-13-27-22(18)21/h7-10,15-16,24H,2-6,11-14H2,1H3
Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.490n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro radioligand binding assay on Dopamine receptor D2 of rat striatum using [3H]- spiperone


J Med Chem 40: 1252-7 (1997)


Article DOI: 10.1021/jm960760d
BindingDB Entry DOI: 10.7270/Q20R9Q26
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50057432
PNG
(CHEMBL25215 | [2-(Chroman-8-yloxy)-ethyl]-[4-(4-me...)
Show SMILES COc1ccc(CCCCNCCOc2cccc3CCCOc23)cc1
Show InChI InChI=1S/C22H29NO3/c1-24-20-12-10-18(11-13-20)6-2-3-14-23-15-17-25-21-9-4-7-19-8-5-16-26-22(19)21/h4,7,9-13,23H,2-3,5-6,8,14-17H2,1H3
Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.580n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro radioligand binding assay on Dopamine receptor D2 of rat striatum using [3H]- spiperone


J Med Chem 40: 1252-7 (1997)


Article DOI: 10.1021/jm960760d
BindingDB Entry DOI: 10.7270/Q20R9Q26
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
Reactome pathway
KEGG

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
0.590n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity of the compound was evaluated against Dopamine receptor D2 on rat striatum using [3H]-spiperone as radioligand; ND = Not determined


J Med Chem 41: 2765-78 (1998)


Article DOI: 10.1021/jm9707840
BindingDB Entry DOI: 10.7270/Q2K073CQ
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50065563
PNG
(6-Fluoro-8-{2-[4-(4-methoxy-phenyl)-butylamino]-et...)
Show SMILES COc1ccc(CCCCNCCOc2cc(F)cc3C(O)CCOc23)cc1
Show InChI InChI=1S/C22H28FNO4/c1-26-18-7-5-16(6-8-18)4-2-3-10-24-11-13-27-21-15-17(23)14-19-20(25)9-12-28-22(19)21/h5-8,14-15,20,24-25H,2-4,9-13H2,1H3
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.716n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor on rat hippocampus using [3H]-8-OH-DPAT as radioligand.


J Med Chem 41: 2765-78 (1998)


Article DOI: 10.1021/jm9707840
BindingDB Entry DOI: 10.7270/Q2K073CQ
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50057431
PNG
(CHEMBL21475 | [4-(4-Methoxy-phenyl)-butyl]-[2-(6-m...)
Show SMILES COc1ccc(CCCCNCCOc2cc(C)cc3CCCOc23)cc1
Show InChI InChI=1S/C23H31NO3/c1-18-16-20-7-5-14-27-23(20)22(17-18)26-15-13-24-12-4-3-6-19-8-10-21(25-2)11-9-19/h8-11,16-17,24H,3-7,12-15H2,1-2H3
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.780n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from rat hippocampal 5-hydroxytryptamine 1A receptor


J Med Chem 40: 1252-7 (1997)


Article DOI: 10.1021/jm960760d
BindingDB Entry DOI: 10.7270/Q20R9Q26
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM86441
PNG
(CAS_3045225 | NSC_3045225 | YM348)
Show SMILES CCc1cc2c(ccc3cnn(CC(C)N)c23)o1
Show InChI InChI=1S/C14H17N3O/c1-3-11-6-12-13(18-11)5-4-10-7-16-17(14(10)12)8-9(2)15/h4-7,9H,3,8,15H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.890n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Co., Ltd.

Curated by PDSP Ki Database




Eur J Pharmacol 483: 37-43 (2004)


Article DOI: 10.1021/acschembio.6b00012
BindingDB Entry DOI: 10.7270/Q2ZG6QTV
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50453215
PNG
(CHEMBL2113497)
Show SMILES Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#CC1(O)CCCCC1 |r|
Show InChI InChI=1S/C18H23N5O5/c19-15-12-16(22-11(21-15)4-7-18(27)5-2-1-3-6-18)23(9-20-12)17-14(26)13(25)10(8-24)28-17/h9-10,13-14,17,24-27H,1-3,5-6,8H2,(H2,19,21,22)/t10-,13-,14-,17-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.900n/an/an/an/an/an/an/an/a



Yamasa Shoyu Co., Ltd

Curated by ChEMBL




J Med Chem 35: 2253-60 (1992)


BindingDB Entry DOI: 10.7270/Q2VT1SQZ
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50453211
PNG
(CHEMBL2113501)
Show SMILES Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#CC1(O)CCCCCC1 |r|
Show InChI InChI=1S/C19H25N5O5/c20-16-13-17(24(10-21-13)18-15(27)14(26)11(9-25)29-18)23-12(22-16)5-8-19(28)6-3-1-2-4-7-19/h10-11,14-15,18,25-28H,1-4,6-7,9H2,(H2,20,22,23)/t11-,14-,15-,18-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.10n/an/an/an/an/an/an/an/a



Yamasa Shoyu Co., Ltd

Curated by ChEMBL




J Med Chem 35: 2253-60 (1992)


BindingDB Entry DOI: 10.7270/Q2VT1SQZ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM25400
PNG
((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PubMed
1.20n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat brain membranes using [3H]CHA as radioligand


J Med Chem 35: 241-52 (1992)


BindingDB Entry DOI: 10.7270/Q20C4WD2
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50057428
PNG
(CHEMBL22682 | [2-(6-Chloro-chroman-8-yloxy)-ethyl]...)
Show SMILES COc1ccc(CCCCNCCOc2cc(Cl)cc3CCCOc23)cc1
Show InChI InChI=1S/C22H28ClNO3/c1-25-20-9-7-17(8-10-20)5-2-3-11-24-12-14-26-21-16-19(23)15-18-6-4-13-27-22(18)21/h7-10,15-16,24H,2-6,11-14H2,1H3
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.30n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from rat hippocampal 5-hydroxytryptamine 1A receptor


J Med Chem 40: 1252-7 (1997)


Article DOI: 10.1021/jm960760d
BindingDB Entry DOI: 10.7270/Q20R9Q26
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50057431
PNG
(CHEMBL21475 | [4-(4-Methoxy-phenyl)-butyl]-[2-(6-m...)
Show SMILES COc1ccc(CCCCNCCOc2cc(C)cc3CCCOc23)cc1
Show InChI InChI=1S/C23H31NO3/c1-18-16-20-7-5-14-27-23(20)22(17-18)26-15-13-24-12-4-3-6-19-8-10-21(25-2)11-9-19/h8-11,16-17,24H,3-7,12-15H2,1-2H3
Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.80n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro radioligand binding assay on Dopamine receptor D2 of rat striatum using [3H]- spiperone


J Med Chem 40: 1252-7 (1997)


Article DOI: 10.1021/jm960760d
BindingDB Entry DOI: 10.7270/Q20R9Q26
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50057434
PNG
(8-{2-[4-(4-Methoxy-phenyl)-butylamino]-ethoxy}-chr...)
Show SMILES COc1ccc(CCCCNCCOc2cc(O)cc3CCCOc23)cc1
Show InChI InChI=1S/C22H29NO4/c1-25-20-9-7-17(8-10-20)5-2-3-11-23-12-14-26-21-16-19(24)15-18-6-4-13-27-22(18)21/h7-10,15-16,23-24H,2-6,11-14H2,1H3
Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.80n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro radioligand binding assay on Dopamine receptor D2 of rat striatum using [3H]- spiperone


J Med Chem 40: 1252-7 (1997)


Article DOI: 10.1021/jm960760d
BindingDB Entry DOI: 10.7270/Q20R9Q26
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50368343
PNG
(CHEMBL608594)
Show SMILES CCCC(O)C#Cc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
Show InChI InChI=1S/C16H21N5O5/c1-2-3-8(23)4-5-10-19-14(17)11-15(20-10)21(7-18-11)16-13(25)12(24)9(6-22)26-16/h7-9,12-13,16,22-25H,2-3,6H2,1H3,(H2,17,19,20)/t8?,9-,12-,13-,16?/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.80n/an/an/an/an/an/an/an/a



Yamasa Shoyu Co., Ltd

Curated by ChEMBL




J Med Chem 35: 2253-60 (1992)


BindingDB Entry DOI: 10.7270/Q2VT1SQZ
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50057435
PNG
(CHEMBL25663 | [2-(6-Methoxy-chroman-8-yloxy)-ethyl...)
Show SMILES COc1ccc(CCCCNCCOc2cc(OC)cc3CCCOc23)cc1
Show InChI InChI=1S/C23H31NO4/c1-25-20-10-8-18(9-11-20)6-3-4-12-24-13-15-27-22-17-21(26-2)16-19-7-5-14-28-23(19)22/h8-11,16-17,24H,3-7,12-15H2,1-2H3
Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.80n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro radioligand binding assay on Dopamine receptor D2 of rat striatum using [3H]- spiperone


J Med Chem 40: 1252-7 (1997)


Article DOI: 10.1021/jm960760d
BindingDB Entry DOI: 10.7270/Q20R9Q26
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50453220
PNG
(CHEMBL2092941)
Show SMILES Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#CC(O)c1ccccc1 |r|
Show InChI InChI=1S/C19H19N5O5/c20-17-14-18(24(9-21-14)19-16(28)15(27)12(8-25)29-19)23-13(22-17)7-6-11(26)10-4-2-1-3-5-10/h1-5,9,11-12,15-16,19,25-28H,8H2,(H2,20,22,23)/t11?,12-,15-,16-,19-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.90n/an/an/an/an/an/an/an/a



Yamasa Shoyu Co., Ltd

Curated by ChEMBL




J Med Chem 35: 2253-60 (1992)


BindingDB Entry DOI: 10.7270/Q2VT1SQZ
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50453214
PNG
(CHEMBL2113498)
Show SMILES Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#CC1(O)CCCCCCC1 |r|
Show InChI InChI=1S/C20H27N5O5/c21-17-14-18(25(11-22-14)19-16(28)15(27)12(10-26)30-19)24-13(23-17)6-9-20(29)7-4-2-1-3-5-8-20/h11-12,15-16,19,26-29H,1-5,7-8,10H2,(H2,21,23,24)/t12-,15-,16-,19-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
PubMed
1.90n/an/an/an/an/an/an/an/a



Yamasa Shoyu Co., Ltd

Curated by ChEMBL




J Med Chem 35: 2253-60 (1992)


BindingDB Entry DOI: 10.7270/Q2VT1SQZ
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50368340
PNG
(CHEMBL608299)
Show SMILES CCCCCC(O)C#Cc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
Show InChI InChI=1S/C18H25N5O5/c1-2-3-4-5-10(25)6-7-12-21-16(19)13-17(22-12)23(9-20-13)18-15(27)14(26)11(8-24)28-18/h9-11,14-15,18,24-27H,2-5,8H2,1H3,(H2,19,21,22)/t10?,11-,14-,15-,18?/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
2n/an/an/an/an/an/an/an/a



Yamasa Shoyu Co., Ltd

Curated by ChEMBL




J Med Chem 35: 2253-60 (1992)


BindingDB Entry DOI: 10.7270/Q2VT1SQZ
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50065563
PNG
(6-Fluoro-8-{2-[4-(4-methoxy-phenyl)-butylamino]-et...)
Show SMILES COc1ccc(CCCCNCCOc2cc(F)cc3C(O)CCOc23)cc1
Show InChI InChI=1S/C22H28FNO4/c1-26-18-7-5-16(6-8-18)4-2-3-10-24-11-13-27-21-15-17(23)14-19-20(25)9-12-28-22(19)21/h5-8,14-15,20,24-25H,2-4,9-13H2,1H3
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.10n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor on rat hippocampus using [3H]-8-OH-DPAT as radioligand.


J Med Chem 41: 2765-78 (1998)


Article DOI: 10.1021/jm9707840
BindingDB Entry DOI: 10.7270/Q2K073CQ
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50453213
PNG
(CHEMBL2113499)
Show SMILES Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#CCC1CCCC1 |r|
Show InChI InChI=1S/C18H23N5O4/c19-16-13-17(22-12(21-16)7-3-6-10-4-1-2-5-10)23(9-20-13)18-15(26)14(25)11(8-24)27-18/h9-11,14-15,18,24-26H,1-2,4-6,8H2,(H2,19,21,22)/t11-,14-,15-,18-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
PubMed
2.30n/an/an/an/an/an/an/an/a



Yamasa Shoyu Co., Ltd

Curated by ChEMBL




J Med Chem 35: 2253-60 (1992)


BindingDB Entry DOI: 10.7270/Q2VT1SQZ
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50065561
PNG
(CHEMBL96546 | [2-(6-Fluoro-2-methyl-chroman-8-ylox...)
Show SMILES COc1ccc(CCCCCCNCCOc2cc(F)cc3CCC(C)Oc23)cc1
Show InChI InChI=1S/C25H34FNO3/c1-19-8-11-21-17-22(26)18-24(25(21)30-19)29-16-15-27-14-6-4-3-5-7-20-9-12-23(28-2)13-10-20/h9-10,12-13,17-19,27H,3-8,11,14-16H2,1-2H3
Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.31n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D2 on rat striatum using [3H]-spiperone as radioligand.


J Med Chem 41: 2765-78 (1998)


Article DOI: 10.1021/jm9707840
BindingDB Entry DOI: 10.7270/Q2K073CQ
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50065582
PNG
(6-Fluoro-8-{2-[2-(4-methoxy-phenyl)-ethylamino]-et...)
Show SMILES COc1ccc(CCNCCOc2cc(F)cc3C(O)CCOc23)cc1
Show InChI InChI=1S/C20H24FNO4/c1-24-16-4-2-14(3-5-16)6-8-22-9-11-25-19-13-15(21)12-17-18(23)7-10-26-20(17)19/h2-5,12-13,18,22-23H,6-11H2,1H3
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.34n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor on rat hippocampus using [3H]-8-OH-DPAT as radioligand.


J Med Chem 41: 2765-78 (1998)


Article DOI: 10.1021/jm9707840
BindingDB Entry DOI: 10.7270/Q2K073CQ
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM85528
PNG
(CAS_3045226 | NSC_3045226 | Ro 60-0175)
Show SMILES CC(N)Cn1ccc2cc(F)c(Cl)cc12
Show InChI InChI=1S/C11H12ClFN2/c1-7(14)6-15-3-2-8-4-10(13)9(12)5-11(8)15/h2-5,7H,6,14H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
2.40n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Co., Ltd.

Curated by PDSP Ki Database




Eur J Pharmacol 483: 37-43 (2004)


Article DOI: 10.1021/acschembio.6b00012
BindingDB Entry DOI: 10.7270/Q2ZG6QTV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
PDB
UniChem
Article
PubMed
2.40n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Co., Ltd.

Curated by PDSP Ki Database




Eur J Pharmacol 483: 37-43 (2004)


Article DOI: 10.1021/acschembio.6b00012
BindingDB Entry DOI: 10.7270/Q2ZG6QTV
More data for this
Ligand-Target Pair
NPY2R


(RABBIT)
BDBM82279
PNG
(CAS_118997-30-1 | PYY, human)
Show InChI InChI=1S/C193H294N54O59/c1-17-99(12)154(242-181(295)141-35-25-73-245(141)187(301)115(195)80-104-37-47-110(251)48-38-104)184(298)226-125(28-18-19-67-194)188(302)246-74-26-34-140(246)180(294)223-122(59-64-149(262)263)158(272)216-102(15)186(300)244-72-24-33-139(244)179(293)212-90-146(259)217-120(58-63-148(260)261)163(277)237-136(88-152(268)269)168(282)215-101(14)157(271)240-147(92-249)306(305)247-75-27-36-142(247)182(296)224-124(61-66-151(266)267)165(279)222-123(60-65-150(264)265)166(280)227-127(77-95(4)5)170(284)235-134(86-144(197)257)175(289)220-116(29-20-68-208-190(199)200)160(274)231-131(82-106-41-51-112(253)52-42-106)173(287)232-130(81-105-39-49-111(252)50-40-105)167(281)214-100(13)156(270)239-138(91-248)178(292)230-126(76-94(2)3)169(283)219-117(30-21-69-209-191(201)202)161(275)234-133(85-109-89-207-93-213-109)174(288)233-132(83-107-43-53-113(254)54-44-107)172(286)228-128(78-96(6)7)171(285)236-135(87-145(198)258)176(290)229-129(79-97(8)9)177(291)241-153(98(10)11)183(297)243-155(103(16)250)185(299)225-119(32-23-71-211-193(205)206)159(273)221-121(57-62-143(196)256)164(278)218-118(31-22-70-210-192(203)204)162(276)238-137(189(303)304)84-108-45-55-114(255)56-46-108/h37-56,89,93-103,115-142,147,153-155,248-255H,17-36,57-88,90-92,194-195H2,1-16H3,(H2,196,256)(H2,197,257)(H2,198,258)(H,207,213)(H,212,293)(H,214,281)(H,215,282)(H,216,272)(H,217,259)(H,218,278)(H,219,283)(H,220,289)(H,221,273)(H,222,279)(H,223,294)(H,224,296)(H,225,299)(H,226,298)(H,227,280)(H,228,286)(H,229,290)(H,230,292)(H,231,274)(H,232,287)(H,233,288)(H,234,275)(H,235,284)(H,236,285)(H,237,277)(H,238,276)(H,239,270)(H,240,271)(H,241,291)(H,242,295)(H,243,297)(H,260,261)(H,262,263)(H,264,265)(H,266,267)(H,268,269)(H,303,304)(H4,199,200,208)(H4,201,202,209)(H4,203,204,210)(H4,205,206,211)/t99?,100-,101-,102-,103+,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,147+,153-,154-,155-/m0/s1
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
PubMed
2.5n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Co., Ltd.

Curated by PDSP Ki Database




J Biol Chem 271: 27217-20 (1996)


BindingDB Entry DOI: 10.7270/Q2K64GKW
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM86441
PNG
(CAS_3045225 | NSC_3045225 | YM348)
Show SMILES CCc1cc2c(ccc3cnn(CC(C)N)c23)o1
Show InChI InChI=1S/C14H17N3O/c1-3-11-6-12-13(18-11)5-4-10-7-16-17(14(10)12)8-9(2)15/h4-7,9H,3,8,15H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
2.5n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Co., Ltd.

Curated by PDSP Ki Database




Eur J Pharmacol 483: 37-43 (2004)


Article DOI: 10.1021/acschembio.6b00012
BindingDB Entry DOI: 10.7270/Q2ZG6QTV
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50065576
PNG
(8-{2-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-butyla...)
Show SMILES Fc1cc(OCCNCCCCc2ccc3OCCOc3c2)c2OCCC(=O)c2c1
Show InChI InChI=1S/C23H26FNO5/c24-17-14-18-19(26)6-9-30-23(18)22(15-17)27-10-8-25-7-2-1-3-16-4-5-20-21(13-16)29-12-11-28-20/h4-5,13-15,25H,1-3,6-12H2
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.60n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor on rat hippocampus using [3H]-8-OH-DPAT as radioligand.


J Med Chem 41: 2765-78 (1998)


Article DOI: 10.1021/jm9707840
BindingDB Entry DOI: 10.7270/Q2K073CQ
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50065557
PNG
(8-[2-(4-Benzo[1,3]dioxol-5-yl-butylamino)-ethoxy]-...)
Show SMILES Fc1cc(OCCNCCCCc2ccc3OCOc3c2)c2OCCC(=O)c2c1
Show InChI InChI=1S/C22H24FNO5/c23-16-12-17-18(25)6-9-27-22(17)21(13-16)26-10-8-24-7-2-1-3-15-4-5-19-20(11-15)29-14-28-19/h4-5,11-13,24H,1-3,6-10,14H2
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.67n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor on rat hippocampus using [3H]-8-OH-DPAT as radioligand.


J Med Chem 41: 2765-78 (1998)


Article DOI: 10.1021/jm9707840
BindingDB Entry DOI: 10.7270/Q2K073CQ
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50119168
PNG
((2R,3R,4S,5R)-2-(6-Amino-2-hex-1-ynyl-purin-9-yl)-...)
Show SMILES CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C16H21N5O4/c1-2-3-4-5-6-10-19-14(17)11-15(20-10)21(8-18-11)16-13(24)12(23)9(7-22)25-16/h8-9,12-13,16,22-24H,2-4,7H2,1H3,(H2,17,19,20)/t9-,12-,13-,16-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
2.80n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL




J Med Chem 35: 241-52 (1992)


BindingDB Entry DOI: 10.7270/Q20C4WD2
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50119168
PNG
((2R,3R,4S,5R)-2-(6-Amino-2-hex-1-ynyl-purin-9-yl)-...)
Show SMILES CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C16H21N5O4/c1-2-3-4-5-6-10-19-14(17)11-15(20-10)21(8-18-11)16-13(24)12(23)9(7-22)25-16/h8-9,12-13,16,22-24H,2-4,7H2,1H3,(H2,17,19,20)/t9-,12-,13-,16-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
2.80n/an/an/an/an/an/an/an/a



Yamasa Shoyu Co., Ltd

Curated by ChEMBL




J Med Chem 35: 2253-60 (1992)


BindingDB Entry DOI: 10.7270/Q2VT1SQZ
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50065582
PNG
(6-Fluoro-8-{2-[2-(4-methoxy-phenyl)-ethylamino]-et...)
Show SMILES COc1ccc(CCNCCOc2cc(F)cc3C(O)CCOc23)cc1
Show InChI InChI=1S/C20H24FNO4/c1-24-16-4-2-14(3-5-16)6-8-22-9-11-25-19-13-15(21)12-17-18(23)7-10-26-20(17)19/h2-5,12-13,18,22-23H,6-11H2,1H3
Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.99n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D2 on rat striatum using [3H]-spiperone as radioligand.


J Med Chem 41: 2765-78 (1998)


Article DOI: 10.1021/jm9707840
BindingDB Entry DOI: 10.7270/Q2K073CQ
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50065560
PNG
(CHEMBL95044 | [2-(6-Fluoro-2-methyl-chroman-8-ylox...)
Show SMILES COc1ccc(CCCCCNCCOc2cc(F)cc3CCC(C)Oc23)cc1
Show InChI InChI=1S/C24H32FNO3/c1-18-7-10-20-16-21(25)17-23(24(20)29-18)28-15-14-26-13-5-3-4-6-19-8-11-22(27-2)12-9-19/h8-9,11-12,16-18,26H,3-7,10,13-15H2,1-2H3
Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.02n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D2 on rat striatum using [3H]-spiperone as radioligand.


J Med Chem 41: 2765-78 (1998)


Article DOI: 10.1021/jm9707840
BindingDB Entry DOI: 10.7270/Q2K073CQ
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50065568
PNG
(6-Fluoro-8-{2-[4-(4-methoxy-phenyl)-butylamino]-et...)
Show SMILES COc1ccc(CCCCNCCOc2cc(F)cc3C(=O)CCOc23)cc1
Show InChI InChI=1S/C22H26FNO4/c1-26-18-7-5-16(6-8-18)4-2-3-10-24-11-13-27-21-15-17(23)14-19-20(25)9-12-28-22(19)21/h5-8,14-15,24H,2-4,9-13H2,1H3
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.07n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor on rat hippocampus using [3H]-8-OH-DPAT as radioligand.


J Med Chem 41: 2765-78 (1998)


Article DOI: 10.1021/jm9707840
BindingDB Entry DOI: 10.7270/Q2K073CQ
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50057435
PNG
(CHEMBL25663 | [2-(6-Methoxy-chroman-8-yloxy)-ethyl...)
Show SMILES COc1ccc(CCCCNCCOc2cc(OC)cc3CCCOc23)cc1
Show InChI InChI=1S/C23H31NO4/c1-25-20-10-8-18(9-11-20)6-3-4-12-24-13-15-27-22-17-21(26-2)16-19-7-5-14-28-23(19)22/h8-11,16-17,24H,3-7,12-15H2,1-2H3
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.10n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from rat hippocampal 5-hydroxytryptamine 1A receptor


J Med Chem 40: 1252-7 (1997)


Article DOI: 10.1021/jm960760d
BindingDB Entry DOI: 10.7270/Q20R9Q26
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50368328
PNG
(CHEMBL608899)
Show SMILES Nc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)C#CC1(O)CCCC1 |r|
Show InChI InChI=1S/C17H21N5O5/c18-14-11-15(21-10(20-14)3-6-17(26)4-1-2-5-17)22(8-19-11)16-13(25)12(24)9(7-23)27-16/h8-9,12-13,16,23-26H,1-2,4-5,7H2,(H2,18,20,21)/t9-,12-,13-,16?/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
3.30n/an/an/an/an/an/an/an/a



Yamasa Shoyu Co., Ltd

Curated by ChEMBL




J Med Chem 35: 2253-60 (1992)


BindingDB Entry DOI: 10.7270/Q2VT1SQZ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50453220
PNG
(CHEMBL2092941)
Show SMILES Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#CC(O)c1ccccc1 |r|
Show InChI InChI=1S/C19H19N5O5/c20-17-14-18(24(9-21-14)19-16(28)15(27)12(8-25)29-19)23-13(22-17)7-6-11(26)10-4-2-1-3-5-10/h1-5,9,11-12,15-16,19,25-28H,8H2,(H2,20,22,23)/t11?,12-,15-,16-,19-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
3.40n/an/an/an/an/an/an/an/a



Yamasa Shoyu Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]CHA binding to adenosine A1 receptor from rat brain membranes


J Med Chem 35: 2253-60 (1992)


BindingDB Entry DOI: 10.7270/Q2VT1SQZ
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 755 total )  |  Next  |  Last  >>
Jump to: