BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 240 hits with Last Name = 'dupre' and Initial = 'a'   
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
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM21397
PNG
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
0.5n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against rat Dopamine receptor D2.


J Med Chem 41: 5084-93 (1999)


Article DOI: 10.1021/jm980452a
BindingDB Entry DOI: 10.7270/Q2CZ369B
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50068530
PNG
(1-Cyclohexyl-8-[4-(4-fluoro-phenyl)-4-oxo-butyl]-1...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)C1CCCCC1
Show InChI InChI=1S/C23H32FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h8-11,20H,1-7,12-17H2,(H,25,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.700n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against rat 5-hydroxytryptamine 2A receptor in NIH3T3 cells.


J Med Chem 41: 5084-93 (1999)


Article DOI: 10.1021/jm980452a
BindingDB Entry DOI: 10.7270/Q2CZ369B
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50068530
PNG
(1-Cyclohexyl-8-[4-(4-fluoro-phenyl)-4-oxo-butyl]-1...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)C1CCCCC1
Show InChI InChI=1S/C23H32FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h8-11,20H,1-7,12-17H2,(H,25,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.700n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against rat Dopamine receptor D2.


J Med Chem 41: 5084-93 (1999)


Article DOI: 10.1021/jm980452a
BindingDB Entry DOI: 10.7270/Q2CZ369B
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50031942
PNG
((6aR,9R)-4,6a,7-Trimethyl-4,6,6a,7,8,9-hexahydro-i...)
Show SMILES CC[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3cn(C)c4cccc(C2=C1)c34 |r,c:24|
Show InChI InChI=1S/C21H27N3O2/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14/h5-8,10,14-15,19,25H,4,9,11-12H2,1-3H3,(H,22,26)/t14-,15+,19-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
0.800n/an/an/an/an/an/an/an/a



Albany Medical College

Curated by PDSP Ki Database




Synapse 35: 144-50 (2000)


Article DOI: 10.1002/(SICI)1098-2396(200002)35:2<144::AID-SYN7>3.0.CO;2-K
BindingDB Entry DOI: 10.7270/Q2ST7NDX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50031942
PNG
((6aR,9R)-4,6a,7-Trimethyl-4,6,6a,7,8,9-hexahydro-i...)
Show SMILES CC[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3cn(C)c4cccc(C2=C1)c34 |r,c:24|
Show InChI InChI=1S/C21H27N3O2/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14/h5-8,10,14-15,19,25H,4,9,11-12H2,1-3H3,(H,22,26)/t14-,15+,19-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
1n/an/an/an/an/an/an/an/a



Albany Medical College

Curated by PDSP Ki Database




Synapse 35: 144-50 (2000)


Article DOI: 10.1002/(SICI)1098-2396(200002)35:2<144::AID-SYN7>3.0.CO;2-K
BindingDB Entry DOI: 10.7270/Q2ST7NDX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM22867
PNG
(1,1-diethyl-3-[(8beta)-6-methyl-9,10-didehydroergo...)
Show SMILES [H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)NC(=O)N(CC)CC)c34 |r,c:12|
Show InChI InChI=1S/C20H26N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,10-11,14,18,21H,4-5,9,12H2,1-3H3,(H,22,25)/t14-,18-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
1.40n/an/an/an/an/an/an/an/a



Albany Medical College

Curated by PDSP Ki Database




Synapse 35: 144-50 (2000)


Article DOI: 10.1002/(SICI)1098-2396(200002)35:2<144::AID-SYN7>3.0.CO;2-K
BindingDB Entry DOI: 10.7270/Q2ST7NDX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM21397
PNG
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
1.80n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against rat 5-hydroxytryptamine 2A receptor in NIH3T3 cells.


J Med Chem 41: 5084-93 (1999)


Article DOI: 10.1021/jm980452a
BindingDB Entry DOI: 10.7270/Q2CZ369B
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM21342
PNG
((4R,7R)-N,N-diethyl-6-methyl-6,11-diazatetracyclo[...)
Show SMILES [H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)C(=O)N(CC)CC)c34 |c:12|
Show InChI InChI=1S/C20H25N3O/c1-4-23(5-2)20(24)14-9-16-15-7-6-8-17-19(15)13(11-21-17)10-18(16)22(3)12-14/h6-9,11,14,18,21H,4-5,10,12H2,1-3H3/t14-,18-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
2.70n/an/an/an/an/an/an/an/a



Albany Medical College

Curated by PDSP Ki Database




Synapse 35: 144-50 (2000)


Article DOI: 10.1002/(SICI)1098-2396(200002)35:2<144::AID-SYN7>3.0.CO;2-K
BindingDB Entry DOI: 10.7270/Q2ST7NDX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM21342
PNG
((4R,7R)-N,N-diethyl-6-methyl-6,11-diazatetracyclo[...)
Show SMILES [H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)C(=O)N(CC)CC)c34 |c:12|
Show InChI InChI=1S/C20H25N3O/c1-4-23(5-2)20(24)14-9-16-15-7-6-8-17-19(15)13(11-21-17)10-18(16)22(3)12-14/h6-9,11,14,18,21H,4-5,10,12H2,1-3H3/t14-,18-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
2.80n/an/an/an/an/an/an/an/a



Albany Medical College

Curated by PDSP Ki Database




Synapse 35: 144-50 (2000)


Article DOI: 10.1002/(SICI)1098-2396(200002)35:2<144::AID-SYN7>3.0.CO;2-K
BindingDB Entry DOI: 10.7270/Q2ST7NDX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50091069
PNG
(2-[2,6-Dimethoxy-4-(3-phenyl-propyl)-phenyl]-1-met...)
Show SMILES COc1cc(CCCc2ccccc2)cc(OC)c1CC(C)N
Show InChI InChI=1S/C20H27NO2/c1-15(21)12-18-19(22-2)13-17(14-20(18)23-3)11-7-10-16-8-5-4-6-9-16/h4-6,8-9,13-15H,7,10-12,21H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]-ketanserin from NIH3T3 cells stably expressing rat 5-hydroxytryptamine 2A receptor


J Med Chem 43: 3074-84 (2000)


BindingDB Entry DOI: 10.7270/Q2NZ86VW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM28582
PNG
(1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine | CHE...)
Show SMILES COc1cc(CC(C)N)c(OC)cc1I
Show InChI InChI=1S/C11H16INO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
3.10n/an/an/an/an/an/an/an/a



Albany Medical College

Curated by PDSP Ki Database




Synapse 35: 144-50 (2000)


Article DOI: 10.1002/(SICI)1098-2396(200002)35:2<144::AID-SYN7>3.0.CO;2-K
BindingDB Entry DOI: 10.7270/Q2ST7NDX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50005257
PNG
((+)-2-(4-Bromo-2,5-dimethoxy-phenyl)-1-methyl-ethy...)
Show SMILES COc1cc(CC(C)N)c(OC)cc1Br
Show InChI InChI=1S/C11H16BrNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
PC cid
PC sid
UniChem

Patents


Similars

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



Albany Medical College

Curated by PDSP Ki Database




Synapse 35: 144-50 (2000)


Article DOI: 10.1002/(SICI)1098-2396(200002)35:2<144::AID-SYN7>3.0.CO;2-K
BindingDB Entry DOI: 10.7270/Q2ST7NDX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50091079
PNG
(2-[3,5-Dimethoxy-4-(3-phenyl-propyl)-phenyl]-1-met...)
Show SMILES COc1cc(CC(C)N)cc(OC)c1CCCc1ccccc1
Show InChI InChI=1S/C20H27NO2/c1-15(21)12-17-13-19(22-2)18(20(14-17)23-3)11-7-10-16-8-5-4-6-9-16/h4-6,8-9,13-15H,7,10-12,21H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]-ketanserin from NIH3T3 cells stably expressing rat 5-hydroxytryptamine 2A receptor


J Med Chem 43: 3074-84 (2000)


BindingDB Entry DOI: 10.7270/Q2NZ86VW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50091065
PNG
(2-[2,3-Dimethoxy-4-(3-phenyl-propyl)-phenyl]-1-met...)
Show SMILES COc1c(CCCc2ccccc2)ccc(CC(C)N)c1OC
Show InChI InChI=1S/C20H27NO2/c1-15(21)14-18-13-12-17(19(22-2)20(18)23-3)11-7-10-16-8-5-4-6-9-16/h4-6,8-9,12-13,15H,7,10-11,14,21H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]-ketanserin from NIH3T3 cells stably expressing rat 5-hydroxytryptamine 2A receptor


J Med Chem 43: 3074-84 (2000)


BindingDB Entry DOI: 10.7270/Q2NZ86VW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM21342
PNG
((4R,7R)-N,N-diethyl-6-methyl-6,11-diazatetracyclo[...)
Show SMILES [H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)C(=O)N(CC)CC)c34 |c:12|
Show InChI InChI=1S/C20H25N3O/c1-4-23(5-2)20(24)14-9-16-15-7-6-8-17-19(15)13(11-21-17)10-18(16)22(3)12-14/h6-9,11,14,18,21H,4-5,10,12H2,1-3H3/t14-,18-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
5.20n/an/an/an/an/an/an/an/a



Albany Medical College

Curated by PDSP Ki Database




Synapse 35: 144-50 (2000)


Article DOI: 10.1002/(SICI)1098-2396(200002)35:2<144::AID-SYN7>3.0.CO;2-K
BindingDB Entry DOI: 10.7270/Q2ST7NDX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM22867
PNG
(1,1-diethyl-3-[(8beta)-6-methyl-9,10-didehydroergo...)
Show SMILES [H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)NC(=O)N(CC)CC)c34 |r,c:12|
Show InChI InChI=1S/C20H26N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,10-11,14,18,21H,4-5,9,12H2,1-3H3,(H,22,25)/t14-,18-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
5.20n/an/an/an/an/an/an/an/a



Albany Medical College

Curated by PDSP Ki Database




Synapse 35: 144-50 (2000)


Article DOI: 10.1002/(SICI)1098-2396(200002)35:2<144::AID-SYN7>3.0.CO;2-K
BindingDB Entry DOI: 10.7270/Q2ST7NDX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM22867
PNG
(1,1-diethyl-3-[(8beta)-6-methyl-9,10-didehydroergo...)
Show SMILES [H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)NC(=O)N(CC)CC)c34 |r,c:12|
Show InChI InChI=1S/C20H26N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,10-11,14,18,21H,4-5,9,12H2,1-3H3,(H,22,25)/t14-,18-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
5.30n/an/an/an/an/an/an/an/a



Albany Medical College

Curated by PDSP Ki Database




Synapse 35: 144-50 (2000)


Article DOI: 10.1002/(SICI)1098-2396(200002)35:2<144::AID-SYN7>3.0.CO;2-K
BindingDB Entry DOI: 10.7270/Q2ST7NDX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50091074
PNG
(2-[2,5-Dimethoxy-4-(4-phenyl-butyl)-phenyl]-1-meth...)
Show SMILES COc1cc(CC(C)N)c(OC)cc1CCCCc1ccccc1
Show InChI InChI=1S/C21H29NO2/c1-16(22)13-19-15-20(23-2)18(14-21(19)24-3)12-8-7-11-17-9-5-4-6-10-17/h4-6,9-10,14-16H,7-8,11-13,22H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
6n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from A9 cells stably expressing rat 5-hydroxytryptamine 2C receptor


J Med Chem 43: 3074-84 (2000)


BindingDB Entry DOI: 10.7270/Q2NZ86VW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50068525
PNG
(4-Cyclohexylamino-1-[4-(4-fluoro-phenyl)-4-oxo-but...)
Show SMILES NC(=O)C1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)NC1CCCCC1
Show InChI InChI=1S/C22H32FN3O2/c23-18-10-8-17(9-11-18)20(27)7-4-14-26-15-12-22(13-16-26,21(24)28)25-19-5-2-1-3-6-19/h8-11,19,25H,1-7,12-16H2,(H2,24,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against rat 5-hydroxytryptamine 2A receptor in NIH3T3 cells.


J Med Chem 41: 5084-93 (1999)


Article DOI: 10.1021/jm980452a
BindingDB Entry DOI: 10.7270/Q2CZ369B
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM21342
PNG
((4R,7R)-N,N-diethyl-6-methyl-6,11-diazatetracyclo[...)
Show SMILES [H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)C(=O)N(CC)CC)c34 |c:12|
Show InChI InChI=1S/C20H25N3O/c1-4-23(5-2)20(24)14-9-16-15-7-6-8-17-19(15)13(11-21-17)10-18(16)22(3)12-14/h6-9,11,14,18,21H,4-5,10,12H2,1-3H3/t14-,18-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
7n/an/an/an/an/an/an/an/a



Albany Medical College

Curated by PDSP Ki Database




Synapse 35: 144-50 (2000)


Article DOI: 10.1002/(SICI)1098-2396(200002)35:2<144::AID-SYN7>3.0.CO;2-K
BindingDB Entry DOI: 10.7270/Q2ST7NDX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50068518
PNG
(8-[4-(4-Fluoro-phenyl)-4-oxo-butyl]-3-isopropyl-1-...)
Show SMILES CC(C)N1CN(C)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O
Show InChI InChI=1S/C21H30FN3O2/c1-16(2)25-15-23(3)21(20(25)27)10-13-24(14-11-21)12-4-5-19(26)17-6-8-18(22)9-7-17/h6-9,16H,4-5,10-15H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
7n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against rat 5-hydroxytryptamine 2A receptor in NIH3T3 cells.


J Med Chem 41: 5084-93 (1999)


Article DOI: 10.1021/jm980452a
BindingDB Entry DOI: 10.7270/Q2CZ369B
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50091067
PNG
(2-[2-Methoxy-4-(3-phenyl-propyl)-phenyl]-1-methyl-...)
Show SMILES COc1cc(CCCc2ccccc2)ccc1CC(C)N
Show InChI InChI=1S/C19H25NO/c1-15(20)13-18-12-11-17(14-19(18)21-2)10-6-9-16-7-4-3-5-8-16/h3-5,7-8,11-12,14-15H,6,9-10,13,20H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
8n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against rat 5-hydroxytryptamine 2A receptor using [3H]-Ketanserin as radioligand


J Med Chem 44: 3283-91 (2001)


BindingDB Entry DOI: 10.7270/Q2MW2GFJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50091067
PNG
(2-[2-Methoxy-4-(3-phenyl-propyl)-phenyl]-1-methyl-...)
Show SMILES COc1cc(CCCc2ccccc2)ccc1CC(C)N
Show InChI InChI=1S/C19H25NO/c1-15(20)13-18-12-11-17(14-19(18)21-2)10-6-9-16-7-4-3-5-8-16/h3-5,7-8,11-12,14-15H,6,9-10,13,20H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
8n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]-ketanserin from NIH3T3 cells stably expressing rat 5-hydroxytryptamine 2A receptor


J Med Chem 43: 3074-84 (2000)


BindingDB Entry DOI: 10.7270/Q2NZ86VW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50091074
PNG
(2-[2,5-Dimethoxy-4-(4-phenyl-butyl)-phenyl]-1-meth...)
Show SMILES COc1cc(CC(C)N)c(OC)cc1CCCCc1ccccc1
Show InChI InChI=1S/C21H29NO2/c1-16(22)13-19-15-20(23-2)18(14-21(19)24-3)12-8-7-11-17-9-5-4-6-10-17/h4-6,9-10,14-16H,7-8,11-13,22H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
8n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]-ketanserin from NIH3T3 cells stably expressing rat 5-hydroxytryptamine 2A receptor


J Med Chem 43: 3074-84 (2000)


BindingDB Entry DOI: 10.7270/Q2NZ86VW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM28582
PNG
(1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine | CHE...)
Show SMILES COc1cc(CC(C)N)c(OC)cc1I
Show InChI InChI=1S/C11H16INO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
9.30n/an/an/an/an/an/an/an/a



Albany Medical College

Curated by PDSP Ki Database




Synapse 35: 144-50 (2000)


Article DOI: 10.1002/(SICI)1098-2396(200002)35:2<144::AID-SYN7>3.0.CO;2-K
BindingDB Entry DOI: 10.7270/Q2ST7NDX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50005257
PNG
((+)-2-(4-Bromo-2,5-dimethoxy-phenyl)-1-methyl-ethy...)
Show SMILES COc1cc(CC(C)N)c(OC)cc1Br
Show InChI InChI=1S/C11H16BrNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
10n/an/an/an/an/an/an/an/a



Albany Medical College

Curated by PDSP Ki Database




Synapse 35: 144-50 (2000)


Article DOI: 10.1002/(SICI)1098-2396(200002)35:2<144::AID-SYN7>3.0.CO;2-K
BindingDB Entry DOI: 10.7270/Q2ST7NDX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
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
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
11n/an/an/an/an/an/an/an/a



Albany Medical College

Curated by PDSP Ki Database




Synapse 35: 144-50 (2000)


Article DOI: 10.1002/(SICI)1098-2396(200002)35:2<144::AID-SYN7>3.0.CO;2-K
BindingDB Entry DOI: 10.7270/Q2ST7NDX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM22867
PNG
(1,1-diethyl-3-[(8beta)-6-methyl-9,10-didehydroergo...)
Show SMILES [H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)NC(=O)N(CC)CC)c34 |r,c:12|
Show InChI InChI=1S/C20H26N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,10-11,14,18,21H,4-5,9,12H2,1-3H3,(H,22,25)/t14-,18-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
11n/an/an/an/an/an/an/an/a



Albany Medical College

Curated by PDSP Ki Database




Synapse 35: 144-50 (2000)


Article DOI: 10.1002/(SICI)1098-2396(200002)35:2<144::AID-SYN7>3.0.CO;2-K
BindingDB Entry DOI: 10.7270/Q2ST7NDX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50091081
PNG
(2-{4-[3-(4-Chloro-phenyl)-propyl]-2,5-dimethoxy-ph...)
Show SMILES COc1cc(CC(C)N)c(OC)cc1CCCc1ccc(Cl)cc1
Show InChI InChI=1S/C20H26ClNO2/c1-14(22)11-17-13-19(23-2)16(12-20(17)24-3)6-4-5-15-7-9-18(21)10-8-15/h7-10,12-14H,4-6,11,22H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
12n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]-ketanserin from NIH3T3 cells stably expressing rat 5-hydroxytryptamine 2A receptor


J Med Chem 43: 3074-84 (2000)


BindingDB Entry DOI: 10.7270/Q2NZ86VW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50104820
PNG
(2-[2-Methoxy-4-(3-phenyl-propyl)-phenyl]-ethylamin...)
Show SMILES COc1cc(CCCc2ccccc2)ccc1CCN
Show InChI InChI=1S/C18H23NO/c1-20-18-14-16(10-11-17(18)12-13-19)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,10-11,14H,5,8-9,12-13,19H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
12n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against rat 5-hydroxytryptamine 2A receptor using [3H]-DOB as radioligand


J Med Chem 44: 3283-91 (2001)


BindingDB Entry DOI: 10.7270/Q2MW2GFJ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50068517
PNG
(3-Butyl-8-[4-(4-fluoro-phenyl)-4-oxo-butyl]-1-meth...)
Show SMILES CCCCN1CN(C)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O
Show InChI InChI=1S/C22H32FN3O2/c1-3-4-14-26-17-24(2)22(21(26)28)11-15-25(16-12-22)13-5-6-20(27)18-7-9-19(23)10-8-18/h7-10H,3-6,11-17H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
13n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against rat Dopamine receptor D2.


J Med Chem 41: 5084-93 (1999)


Article DOI: 10.1021/jm980452a
BindingDB Entry DOI: 10.7270/Q2CZ369B
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50104815
PNG
(2-[2-Methoxy-5-(3-phenyl-propyl)-phenyl]-1-methyl-...)
Show SMILES COc1ccc(CCCc2ccccc2)cc1CC(C)N
Show InChI InChI=1S/C19H25NO/c1-15(20)13-18-14-17(11-12-19(18)21-2)10-6-9-16-7-4-3-5-8-16/h3-5,7-8,11-12,14-15H,6,9-10,13,20H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
13n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against rat 5-hydroxytryptamine 2A receptor using [3H]-Ketanserin as radioligand


J Med Chem 44: 3283-91 (2001)


BindingDB Entry DOI: 10.7270/Q2MW2GFJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50068521
PNG
(1-[4-(4-Fluoro-phenyl)-4-oxo-butyl]-4-isopropylami...)
Show SMILES CC(C)NC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)C(N)=O
Show InChI InChI=1S/C19H28FN3O2/c1-14(2)22-19(18(21)25)9-12-23(13-10-19)11-3-4-17(24)15-5-7-16(20)8-6-15/h5-8,14,22H,3-4,9-13H2,1-2H3,(H2,21,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
14n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against rat 5-hydroxytryptamine 2A receptor in NIH3T3 cells.


J Med Chem 41: 5084-93 (1999)


Article DOI: 10.1021/jm980452a
BindingDB Entry DOI: 10.7270/Q2CZ369B
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM82087
PNG
(2-(5-methoxy-1H-indol-3-yl)ethanamine | 5-MT | 5-M...)
Show SMILES COc1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

KEGG
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
14n/an/an/an/an/an/an/an/a



Albany Medical College

Curated by PDSP Ki Database




Synapse 35: 144-50 (2000)


Article DOI: 10.1002/(SICI)1098-2396(200002)35:2<144::AID-SYN7>3.0.CO;2-K
BindingDB Entry DOI: 10.7270/Q2ST7NDX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50024206
PNG
(3-[2-(dimethylamino)ethyl]-1H-indol-5-ol | 3-[2-(d...)
Show SMILES CN(C)CCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C12H16N2O/c1-14(2)6-5-9-8-13-12-4-3-10(15)7-11(9)12/h3-4,7-8,13,15H,5-6H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
15n/an/an/an/an/an/an/an/a



Albany Medical College

Curated by PDSP Ki Database




Synapse 35: 144-50 (2000)


Article DOI: 10.1002/(SICI)1098-2396(200002)35:2<144::AID-SYN7>3.0.CO;2-K
BindingDB Entry DOI: 10.7270/Q2ST7NDX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50005267
PNG
(2,5-dimethoxy-4-bromophenethylamine | 2-(4-Bromo-2...)
Show SMILES COc1cc(CCN)c(OC)cc1Br
Show InChI InChI=1S/C10H14BrNO2/c1-13-9-6-8(11)10(14-2)5-7(9)3-4-12/h5-6H,3-4,12H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
PC cid
PC sid
UniChem

Patents


Similars

PubMed
16n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]-ketanserin from NIH3T3 cells stably expressing rat 5-hydroxytryptamine 2A receptor


J Med Chem 43: 3074-84 (2000)


BindingDB Entry DOI: 10.7270/Q2NZ86VW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50091081
PNG
(2-{4-[3-(4-Chloro-phenyl)-propyl]-2,5-dimethoxy-ph...)
Show SMILES COc1cc(CC(C)N)c(OC)cc1CCCc1ccc(Cl)cc1
Show InChI InChI=1S/C20H26ClNO2/c1-14(22)11-17-13-19(23-2)16(12-20(17)24-3)6-4-5-15-7-9-18(21)10-8-15/h7-10,12-14H,4-6,11,22H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
16n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from A9 cells stably expressing rat 5-hydroxytryptamine 2C receptor


J Med Chem 43: 3074-84 (2000)


BindingDB Entry DOI: 10.7270/Q2NZ86VW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50091076
PNG
(2-[3-Methoxy-4-(3-phenyl-propyl)-phenyl]-1-methyl-...)
Show SMILES COc1cc(CC(C)N)ccc1CCCc1ccccc1
Show InChI InChI=1S/C19H25NO/c1-15(20)13-17-11-12-18(19(14-17)21-2)10-6-9-16-7-4-3-5-8-16/h3-5,7-8,11-12,14-15H,6,9-10,13,20H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
17n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]-ketanserin from NIH3T3 cells stably expressing rat 5-hydroxytryptamine 2A receptor


J Med Chem 43: 3074-84 (2000)


BindingDB Entry DOI: 10.7270/Q2NZ86VW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50104820
PNG
(2-[2-Methoxy-4-(3-phenyl-propyl)-phenyl]-ethylamin...)
Show SMILES COc1cc(CCCc2ccccc2)ccc1CCN
Show InChI InChI=1S/C18H23NO/c1-20-18-14-16(10-11-17(18)12-13-19)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,10-11,14H,5,8-9,12-13,19H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
18n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against rat 5-hydroxytryptamine 2A receptor using [3H]-Ketanserin as radioligand


J Med Chem 44: 3283-91 (2001)


BindingDB Entry DOI: 10.7270/Q2MW2GFJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50104828
PNG
(2-[2-Methoxy-4-(5-phenyl-pentyl)-phenyl]-ethylamin...)
Show SMILES COc1cc(CCCCCc2ccccc2)ccc1CCN
Show InChI InChI=1S/C20H27NO/c1-22-20-16-18(12-13-19(20)14-15-21)11-7-3-6-10-17-8-4-2-5-9-17/h2,4-5,8-9,12-13,16H,3,6-7,10-11,14-15,21H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
18n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against rat 5-hydroxytryptamine 2A receptor using [3H]-DOB as radioligand


J Med Chem 44: 3283-91 (2001)


BindingDB Entry DOI: 10.7270/Q2MW2GFJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50104815
PNG
(2-[2-Methoxy-5-(3-phenyl-propyl)-phenyl]-1-methyl-...)
Show SMILES COc1ccc(CCCc2ccccc2)cc1CC(C)N
Show InChI InChI=1S/C19H25NO/c1-15(20)13-18-14-17(11-12-19(18)21-2)10-6-9-16-7-4-3-5-8-16/h3-5,7-8,11-12,14-15H,6,9-10,13,20H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
19n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against rat 5-hydroxytryptamine 2A receptor using [3H]-DOB as radioligand


J Med Chem 44: 3283-91 (2001)


BindingDB Entry DOI: 10.7270/Q2MW2GFJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50068517
PNG
(3-Butyl-8-[4-(4-fluoro-phenyl)-4-oxo-butyl]-1-meth...)
Show SMILES CCCCN1CN(C)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O
Show InChI InChI=1S/C22H32FN3O2/c1-3-4-14-26-17-24(2)22(21(26)28)11-15-25(16-12-22)13-5-6-20(27)18-7-9-19(23)10-8-18/h7-10H,3-6,11-17H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
19n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against rat 5-hydroxytryptamine 2A receptor in NIH3T3 cells.


J Med Chem 41: 5084-93 (1999)


Article DOI: 10.1021/jm980452a
BindingDB Entry DOI: 10.7270/Q2CZ369B
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50068523
PNG
(8-[3-(4-Fluoro-phenoxy)-propyl]-1-methyl-3-propyl-...)
Show SMILES CCCN1CN(C)C2(CCN(CCCOc3ccc(F)cc3)CC2)C1=O
Show InChI InChI=1S/C20H30FN3O2/c1-3-11-24-16-22(2)20(19(24)25)9-13-23(14-10-20)12-4-15-26-18-7-5-17(21)6-8-18/h5-8H,3-4,9-16H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
19n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against rat 5-hydroxytryptamine 2A receptor in NIH3T3 cells.


J Med Chem 41: 5084-93 (1999)


Article DOI: 10.1021/jm980452a
BindingDB Entry DOI: 10.7270/Q2CZ369B
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50104828
PNG
(2-[2-Methoxy-4-(5-phenyl-pentyl)-phenyl]-ethylamin...)
Show SMILES COc1cc(CCCCCc2ccccc2)ccc1CCN
Show InChI InChI=1S/C20H27NO/c1-22-20-16-18(12-13-19(20)14-15-21)11-7-3-6-10-17-8-4-2-5-9-17/h2,4-5,8-9,12-13,16H,3,6-7,10-11,14-15,21H2,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
19n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against rat 5-hydroxytryptamine 2C receptor using [3H]-mesulergine as radioligand


J Med Chem 44: 3283-91 (2001)


BindingDB Entry DOI: 10.7270/Q2MW2GFJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50104818
PNG
(2-[2-Methoxy-5-(3-phenyl-propyl)-phenyl]-ethylamin...)
Show SMILES COc1ccc(CCCc2ccccc2)cc1CCN
Show InChI InChI=1S/C18H23NO/c1-20-18-11-10-16(14-17(18)12-13-19)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,10-11,14H,5,8-9,12-13,19H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
20n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against rat 5-hydroxytryptamine 2A receptor using [3H]-Ketanserin as radioligand


J Med Chem 44: 3283-91 (2001)


BindingDB Entry DOI: 10.7270/Q2MW2GFJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50068531
PNG
(8-[4-(4-Fluoro-phenyl)-4-oxo-butyl]-1-methyl-3-pro...)
Show SMILES CCCN1CN(C)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O
Show InChI InChI=1S/C21H30FN3O2/c1-3-12-25-16-23(2)21(20(25)27)10-14-24(15-11-21)13-4-5-19(26)17-6-8-18(22)9-7-17/h6-9H,3-5,10-16H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
20n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against rat 5-hydroxytryptamine 2A receptor in NIH3T3 cells.


J Med Chem 41: 5084-93 (1999)


Article DOI: 10.1021/jm980452a
BindingDB Entry DOI: 10.7270/Q2CZ369B
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50001915
PNG
(1-(3-chlorophenyl)piperazine | CHEMBL478 | m-Chlor...)
Show SMILES Clc1cccc(c1)N1CCNCC1
Show InChI InChI=1S/C10H13ClN2/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
20n/an/an/an/an/an/an/an/a



Albany Medical College

Curated by PDSP Ki Database




Synapse 35: 144-50 (2000)


Article DOI: 10.1002/(SICI)1098-2396(200002)35:2<144::AID-SYN7>3.0.CO;2-K
BindingDB Entry DOI: 10.7270/Q2ST7NDX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50068522
PNG
(3-Ethyl-8-[4-(4-fluoro-phenyl)-4-oxo-butyl]-1-meth...)
Show SMILES CCN1CN(C)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O
Show InChI InChI=1S/C20H28FN3O2/c1-3-24-15-22(2)20(19(24)26)10-13-23(14-11-20)12-4-5-18(25)16-6-8-17(21)9-7-16/h6-9H,3-5,10-15H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
21n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against rat 5-hydroxytryptamine 2A receptor in NIH3T3 cells.


J Med Chem 41: 5084-93 (1999)


Article DOI: 10.1021/jm980452a
BindingDB Entry DOI: 10.7270/Q2CZ369B
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50005265
PNG
((+/-)2-(2,5-Dimethoxy-4-methyl-phenyl)-1-methyl-et...)
Show SMILES COc1cc(CC(C)N)c(OC)cc1C
Show InChI InChI=1S/C12H19NO2/c1-8-5-12(15-4)10(6-9(2)13)7-11(8)14-3/h5,7,9H,6,13H2,1-4H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
21n/an/an/an/an/an/an/an/a



Albany Medical College

Curated by PDSP Ki Database




Synapse 35: 144-50 (2000)


Article DOI: 10.1002/(SICI)1098-2396(200002)35:2<144::AID-SYN7>3.0.CO;2-K
BindingDB Entry DOI: 10.7270/Q2ST7NDX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50068533
PNG
(3-Benzyl-8-[4-(4-fluoro-phenyl)-4-oxo-butyl]-1-met...)
Show SMILES CN1CN(Cc2ccccc2)C(=O)C11CCN(CCCC(=O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C25H30FN3O2/c1-27-19-29(18-20-6-3-2-4-7-20)24(31)25(27)13-16-28(17-14-25)15-5-8-23(30)21-9-11-22(26)12-10-21/h2-4,6-7,9-12H,5,8,13-19H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
22n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against rat 5-hydroxytryptamine 2A receptor in NIH3T3 cells.


J Med Chem 41: 5084-93 (1999)


Article DOI: 10.1021/jm980452a
BindingDB Entry DOI: 10.7270/Q2CZ369B
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 240 total )  |  Next  |  Last  >>
Jump to: