BindingDB logo
myBDB logout

PubMed code 2889830

Compile data set for download or QSAR
Found 26 hits of Enzyme Inhibition Constant Data   
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
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50019959
PNG
(1-(4-Fluoro-phenyl)-4-[4-(2-methoxy-phenyl)-pipera...)
Show SMILES COc1ccccc1N1CCN(CCCC(=O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C21H25FN2O2/c1-26-21-7-3-2-5-19(21)24-15-13-23(14-16-24)12-4-6-20(25)17-8-10-18(22)11-9-17/h2-3,5,7-11H,4,6,12-16H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

PubMed
0.870n/an/an/an/an/an/an/an/a



Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]WB-4101 binding to alpha-1 adrenergic receptor was determined in rat


J Med Chem 30: 2099-104 (1987)


BindingDB Entry DOI: 10.7270/Q2W959R8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50019961
PNG
(1-[5-(4-Fluoro-phenyl)-1H-pyrrol-2-ylmethyl]-4-(2-...)
Show SMILES COc1ccccc1N1CCN(Cc2ccc([nH]2)-c2ccc(F)cc2)CC1
Show InChI InChI=1S/C22H24FN3O/c1-27-22-5-3-2-4-21(22)26-14-12-25(13-15-26)16-19-10-11-20(24-19)17-6-8-18(23)9-7-17/h2-11,24H,12-16H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
0.910n/an/an/an/an/an/an/an/a



Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit the [3H]spiperone binding to striatum Dopamine receptor D2 was determined in rat


J Med Chem 30: 2099-104 (1987)


BindingDB Entry DOI: 10.7270/Q2W959R8
More data for this
Ligand-Target Pair
D(2) dopamine 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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

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



Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit the [3H]spiperone binding to striatum Dopamine receptor D2 was determined in rat


J Med Chem 30: 2099-104 (1987)


BindingDB Entry DOI: 10.7270/Q2W959R8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50019959
PNG
(1-(4-Fluoro-phenyl)-4-[4-(2-methoxy-phenyl)-pipera...)
Show SMILES COc1ccccc1N1CCN(CCCC(=O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C21H25FN2O2/c1-26-21-7-3-2-5-19(21)24-15-13-23(14-16-24)12-4-6-20(25)17-8-10-18(22)11-9-17/h2-3,5,7-11H,4,6,12-16H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

PubMed
2.90n/an/an/an/an/an/an/an/a



Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit the [3H]spiperone binding to striatum Dopamine receptor D2 was determined in rat


J Med Chem 30: 2099-104 (1987)


BindingDB Entry DOI: 10.7270/Q2W959R8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50019960
PNG
(4-Fluoro-N-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl...)
Show SMILES COc1ccccc1N1CCN(CCNC(=O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C20H24FN3O2/c1-26-19-5-3-2-4-18(19)24-14-12-23(13-15-24)11-10-22-20(25)16-6-8-17(21)9-7-16/h2-9H,10-15H2,1H3,(H,22,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
5n/an/an/an/an/an/an/an/a



Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit the [3H]spiperone binding to striatum Dopamine receptor D2 was determined in rat


J Med Chem 30: 2099-104 (1987)


BindingDB Entry DOI: 10.7270/Q2W959R8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50019956
PNG
(1-[5-(5-Ethanesulfonyl-2-methoxy-phenyl)-1H-pyrrol...)
Show SMILES CCS(=O)(=O)c1ccc(OC)c(c1)-c1ccc(CN2CCN(CC2)c2ccccc2OC)[nH]1
Show InChI InChI=1S/C25H31N3O4S/c1-4-33(29,30)20-10-12-24(31-2)21(17-20)22-11-9-19(26-22)18-27-13-15-28(16-14-27)23-7-5-6-8-25(23)32-3/h5-12,17,26H,4,13-16,18H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
7.30n/an/an/an/an/an/an/an/a



Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit the [3H]spiperone binding to striatum Dopamine receptor D2 was determined in rat


J Med Chem 30: 2099-104 (1987)


BindingDB Entry DOI: 10.7270/Q2W959R8
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50019960
PNG
(4-Fluoro-N-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl...)
Show SMILES COc1ccccc1N1CCN(CCNC(=O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C20H24FN3O2/c1-26-19-5-3-2-4-18(19)24-14-12-23(13-15-24)11-10-22-20(25)16-6-8-17(21)9-7-16/h2-9H,10-15H2,1H3,(H,22,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
9n/an/an/an/an/an/an/an/a



Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]WB-4101 binding to alpha-1 adrenergic receptor was determined in rat


J Med Chem 30: 2099-104 (1987)


BindingDB Entry DOI: 10.7270/Q2W959R8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50019957
PNG
(5-Ethanesulfonyl-N-(1-ethyl-pyrrolidin-2-ylmethyl)...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1cc(ccc1OC)S(=O)(=O)CC
Show InChI InChI=1S/C17H26N2O4S/c1-4-19-10-6-7-13(19)12-18-17(20)15-11-14(24(21,22)5-2)8-9-16(15)23-3/h8-9,11,13H,4-7,10,12H2,1-3H3,(H,18,20)/t13-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem

Similars

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



Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit the [3H]spiperone binding to striatum Dopamine receptor D2 was determined in rat


J Med Chem 30: 2099-104 (1987)


BindingDB Entry DOI: 10.7270/Q2W959R8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50005117
PNG
((racemic)5'-(5-Ethanesulfonyl-2-methoxy-phenyl)-1-...)
Show SMILES CCN1CCCC1c1ccc([nH]1)-c1cc(ccc1OC)S(=O)(=O)CC
Show InChI InChI=1S/C19H26N2O3S/c1-4-21-12-6-7-18(21)17-10-9-16(20-17)15-13-14(25(22,23)5-2)8-11-19(15)24-3/h8-11,13,18,20H,4-7,12H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents

PubMed
29n/an/an/an/an/an/an/an/a



Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit the [3H]spiperone binding to striatum Dopamine receptor D2 was determined in rat


J Med Chem 30: 2099-104 (1987)


BindingDB Entry DOI: 10.7270/Q2W959R8
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

DrugBank
PubMed
31n/an/an/an/an/an/an/an/a



Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]WB-4101 binding to alpha-1 adrenergic receptor was determined in rat


J Med Chem 30: 2099-104 (1987)


BindingDB Entry DOI: 10.7270/Q2W959R8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM81774
PNG
(CAS_15676-16-1 | SULPIRIDE,(+) | Sulpiride-S | Sul...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1cc(ccc1OC)S(N)(=O)=O |r|
Show InChI InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)/t11-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Patents


Similars

PubMed
39n/an/an/an/an/an/an/an/a



Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit the [3H]spiperone binding to striatum Dopamine receptor D2 was determined in rat


J Med Chem 30: 2099-104 (1987)


BindingDB Entry DOI: 10.7270/Q2W959R8
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-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
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

PubMed
42n/an/an/an/an/an/an/an/a



Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]spiperone binding to 5-hydroxytryptamine 2 receptor determined in rat


J Med Chem 30: 2099-104 (1987)


BindingDB Entry DOI: 10.7270/Q2W959R8
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)
BDBM50019959
PNG
(1-(4-Fluoro-phenyl)-4-[4-(2-methoxy-phenyl)-pipera...)
Show SMILES COc1ccccc1N1CCN(CCCC(=O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C21H25FN2O2/c1-26-21-7-3-2-5-19(21)24-15-13-23(14-16-24)12-4-6-20(25)17-8-10-18(22)11-9-17/h2-3,5,7-11H,4,6,12-16H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

PubMed
52n/an/an/an/an/an/an/an/a



Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]spiperone binding to 5-hydroxytryptamine 2 receptor determined in rat


J Med Chem 30: 2099-104 (1987)


BindingDB Entry DOI: 10.7270/Q2W959R8
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50019961
PNG
(1-[5-(4-Fluoro-phenyl)-1H-pyrrol-2-ylmethyl]-4-(2-...)
Show SMILES COc1ccccc1N1CCN(Cc2ccc([nH]2)-c2ccc(F)cc2)CC1
Show InChI InChI=1S/C22H24FN3O/c1-27-22-5-3-2-4-21(22)26-14-12-25(13-15-26)16-19-10-11-20(24-19)17-6-8-18(23)9-7-17/h2-11,24H,12-16H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
57n/an/an/an/an/an/an/an/a



Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]WB-4101 binding to alpha-1 adrenergic receptor was determined in rat


J Med Chem 30: 2099-104 (1987)


BindingDB Entry DOI: 10.7270/Q2W959R8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50019963
PNG
(4-(4-Chloro-phenyl)-1-[5-(5-ethanesulfonyl-2-metho...)
Show SMILES CCS(=O)(=O)c1ccc(OC)c(c1)-c1ccc(CN2CCC(O)(CC2)c2ccc(Cl)cc2)[nH]1
Show InChI InChI=1S/C25H29ClN2O4S/c1-3-33(30,31)21-9-11-24(32-2)22(16-21)23-10-8-20(27-23)17-28-14-12-25(29,13-15-28)18-4-6-19(26)7-5-18/h4-11,16,27,29H,3,12-15,17H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
150n/an/an/an/an/an/an/an/a



Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit the [3H]spiperone binding to striatum Dopamine receptor D2 was determined in rat


J Med Chem 30: 2099-104 (1987)


BindingDB Entry DOI: 10.7270/Q2W959R8
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50019962
PNG
(CHEMBL62499 | N-{2-[4-(4-Chloro-phenyl)-4-hydroxy-...)
Show SMILES OC1(CCN(CCNC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H22ClFN2O2/c21-17-5-3-16(4-6-17)20(26)9-12-24(13-10-20)14-11-23-19(25)15-1-7-18(22)8-2-15/h1-8,26H,9-14H2,(H,23,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
250n/an/an/an/an/an/an/an/a



Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]WB-4101 binding to alpha-1 adrenergic receptor was determined in rat


J Med Chem 30: 2099-104 (1987)


BindingDB Entry DOI: 10.7270/Q2W959R8
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)
BDBM50019961
PNG
(1-[5-(4-Fluoro-phenyl)-1H-pyrrol-2-ylmethyl]-4-(2-...)
Show SMILES COc1ccccc1N1CCN(Cc2ccc([nH]2)-c2ccc(F)cc2)CC1
Show InChI InChI=1S/C22H24FN3O/c1-27-22-5-3-2-4-21(22)26-14-12-25(13-15-26)16-19-10-11-20(24-19)17-6-8-18(23)9-7-17/h2-11,24H,12-16H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
310n/an/an/an/an/an/an/an/a



Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]spiperone binding to 5-hydroxytryptamine 2 receptor determined in rat


J Med Chem 30: 2099-104 (1987)


BindingDB Entry DOI: 10.7270/Q2W959R8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50019962
PNG
(CHEMBL62499 | N-{2-[4-(4-Chloro-phenyl)-4-hydroxy-...)
Show SMILES OC1(CCN(CCNC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H22ClFN2O2/c21-17-5-3-16(4-6-17)20(26)9-12-24(13-10-20)14-11-23-19(25)15-1-7-18(22)8-2-15/h1-8,26H,9-14H2,(H,23,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
480n/an/an/an/an/an/an/an/a



Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit the [3H]spiperone binding to striatum Dopamine receptor D2 was determined in rat


J Med Chem 30: 2099-104 (1987)


BindingDB Entry DOI: 10.7270/Q2W959R8
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)
BDBM50019960
PNG
(4-Fluoro-N-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl...)
Show SMILES COc1ccccc1N1CCN(CCNC(=O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C20H24FN3O2/c1-26-19-5-3-2-4-18(19)24-14-12-23(13-15-24)11-10-22-20(25)16-6-8-17(21)9-7-16/h2-9H,10-15H2,1H3,(H,22,25)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
700n/an/an/an/an/an/an/an/a



Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]spiperone binding to 5-hydroxytryptamine 2 receptor determined in rat


J Med Chem 30: 2099-104 (1987)


BindingDB Entry DOI: 10.7270/Q2W959R8
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50019957
PNG
(5-Ethanesulfonyl-N-(1-ethyl-pyrrolidin-2-ylmethyl)...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1cc(ccc1OC)S(=O)(=O)CC
Show InChI InChI=1S/C17H26N2O4S/c1-4-19-10-6-7-13(19)12-18-17(20)15-11-14(24(21,22)5-2)8-9-16(15)23-3/h8-9,11,13H,4-7,10,12H2,1-3H3,(H,18,20)/t13-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
1.10E+3n/an/an/an/an/an/an/an/a



Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]WB-4101 binding to alpha-1 adrenergic receptor was determined in rat


J Med Chem 30: 2099-104 (1987)


BindingDB Entry DOI: 10.7270/Q2W959R8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50019958
PNG
(4-(4-Chloro-phenyl)-1-[5-(4-fluoro-phenyl)-1H-pyrr...)
Show SMILES OC1(CCN(Cc2ccc([nH]2)-c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H22ClFN2O/c23-18-5-3-17(4-6-18)22(27)11-13-26(14-12-22)15-20-9-10-21(25-20)16-1-7-19(24)8-2-16/h1-10,25,27H,11-15H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
1.10E+3n/an/an/an/an/an/an/an/a



Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit the [3H]spiperone binding to striatum Dopamine receptor D2 was determined in rat


J Med Chem 30: 2099-104 (1987)


BindingDB Entry DOI: 10.7270/Q2W959R8
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50019958
PNG
(4-(4-Chloro-phenyl)-1-[5-(4-fluoro-phenyl)-1H-pyrr...)
Show SMILES OC1(CCN(Cc2ccc([nH]2)-c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H22ClFN2O/c23-18-5-3-17(4-6-18)22(27)11-13-26(14-12-22)15-20-9-10-21(25-20)16-1-7-19(24)8-2-16/h1-10,25,27H,11-15H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
1.60E+3n/an/an/an/an/an/an/an/a



Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]WB-4101 binding to alpha-1 adrenergic receptor was determined in rat


J Med Chem 30: 2099-104 (1987)


BindingDB Entry DOI: 10.7270/Q2W959R8
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)
BDBM50019958
PNG
(4-(4-Chloro-phenyl)-1-[5-(4-fluoro-phenyl)-1H-pyrr...)
Show SMILES OC1(CCN(Cc2ccc([nH]2)-c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H22ClFN2O/c23-18-5-3-17(4-6-18)22(27)11-13-26(14-12-22)15-20-9-10-21(25-20)16-1-7-19(24)8-2-16/h1-10,25,27H,11-15H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
9.30E+3n/an/an/an/an/an/an/an/a



Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]spiperone binding to 5-hydroxytryptamine 2 receptor determined in rat


J Med Chem 30: 2099-104 (1987)


BindingDB Entry DOI: 10.7270/Q2W959R8
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM81774
PNG
(CAS_15676-16-1 | SULPIRIDE,(+) | Sulpiride-S | Sul...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1cc(ccc1OC)S(N)(=O)=O |r|
Show InChI InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)/t11-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Patents


Similars

PubMed
1.50E+4n/an/an/an/an/an/an/an/a



Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]WB-4101 binding to alpha-1 adrenergic receptor was determined in rat


J Med Chem 30: 2099-104 (1987)


BindingDB Entry DOI: 10.7270/Q2W959R8
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)
BDBM81774
PNG
(CAS_15676-16-1 | SULPIRIDE,(+) | Sulpiride-S | Sul...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1cc(ccc1OC)S(N)(=O)=O |r|
Show InChI InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)/t11-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Patents


Similars

PubMed
2.70E+4n/an/an/an/an/an/an/an/a



Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]spiperone binding to 5-hydroxytryptamine 2 receptor determined in rat


J Med Chem 30: 2099-104 (1987)


BindingDB Entry DOI: 10.7270/Q2W959R8
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)
BDBM50019957
PNG
(5-Ethanesulfonyl-N-(1-ethyl-pyrrolidin-2-ylmethyl)...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1cc(ccc1OC)S(=O)(=O)CC
Show InChI InChI=1S/C17H26N2O4S/c1-4-19-10-6-7-13(19)12-18-17(20)15-11-14(24(21,22)5-2)8-9-16(15)23-3/h8-9,11,13H,4-7,10,12H2,1-3H3,(H,18,20)/t13-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
5.40E+4n/an/an/an/an/an/an/an/a



Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]spiperone binding to 5-hydroxytryptamine 2 receptor determined in rat


J Med Chem 30: 2099-104 (1987)


BindingDB Entry DOI: 10.7270/Q2W959R8
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%