BindingDB logo
myBDB logout

62 similar compounds to monomer 50005120

Compile data set for download or QSAR
Wt: 339.8
BDBM50450877
Wt: 325.8
BDBM50450878
Wt: 323.8
BDBM50005839
Wt: 309.7
BDBM50005840
Wt: 387.9
BDBM50454212
Wt: 399.9
BDBM50042733
Wt: 429.9
BDBM50052179
Wt: 427.9
BDBM50052180
Wt: 460.0
BDBM50052183
Wt: 433.9
BDBM50052184
Wt: 455.9
BDBM50052185
Wt: 413.8
BDBM50052186
Wt: 470.0
BDBM50052187
Wt: 455.9
BDBM50052188
Wt: 463.9
BDBM50052189
Displayed 1 to 15 (of 62 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 50 hits for monomerid = 50450877,50450878,50005839,50005840,50454212,50042733,50052179,50052180,50052183,50052184,50052185,50052186,50052187,50052188,50052189   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50042733
PNG
((9-Benzyl-3,9-diaza-bicyclo[3.3.1]non-3-yl)-(5-bro...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)N1CC2CCCC(C1)N2Cc1ccccc1
Show InChI InChI=1S/C22H26ClN3O2/c1-28-21-11-20(24)19(23)10-18(21)22(27)25-13-16-8-5-9-17(14-25)26(16)12-15-6-3-2-4-7-15/h2-4,6-7,10-11,16-17H,5,8-9,12-14,24H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0330n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of [125I]- NCQ 298 binding to D2 receptor of rat striatal tissue


J Med Chem 36: 3707-20 (1994)


Article DOI: 10.1021/jm00075a028
BindingDB Entry DOI: 10.7270/Q2MK6DH1
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50454212
PNG
(CHEBI:64217 | Emonapride | NEMONAPRIDE | Nemonapri...)
Show SMILES CNc1cc(OC)c(cc1Cl)C(=O)NC1CCN(Cc2ccccc2)C1C
Show InChI InChI=1S/C21H26ClN3O2/c1-14-18(9-10-25(14)13-15-7-5-4-6-8-15)24-21(26)16-11-17(22)19(23-2)12-20(16)27-3/h4-8,11-12,14,18,23H,9-10,13H2,1-3H3,(H,24,26)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.160n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Binding affinity to rat Dopamine receptor D2 expressesd in CHO cells was determined using [125 I ] iodosulpride as radioligand


J Med Chem 39: 2764-72 (1996)


Article DOI: 10.1021/jm9601720
BindingDB Entry DOI: 10.7270/Q2SB44VK
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50454212
PNG
(CHEBI:64217 | Emonapride | NEMONAPRIDE | Nemonapri...)
Show SMILES CNc1cc(OC)c(cc1Cl)C(=O)NC1CCN(Cc2ccccc2)C1C
Show InChI InChI=1S/C21H26ClN3O2/c1-14-18(9-10-25(14)13-15-7-5-4-6-8-15)24-21(26)16-11-17(22)19(23-2)12-20(16)27-3/h4-8,11-12,14,18,23H,9-10,13H2,1-3H3,(H,24,26)
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.160n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Binding affinity of the compound to rat Dopamine receptor D3 expressed in CHO cells was determined using [125 I] iodosulpride as radioligand


J Med Chem 39: 2764-72 (1996)


Article DOI: 10.1021/jm9601720
BindingDB Entry DOI: 10.7270/Q2SB44VK
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50052186
PNG
(4-Acryloylamino-N-((S)-1-benzyl-pyrrolidin-3-yl)-5...)
Show SMILES COc1cc(NC(=O)C=C)c(Cl)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1
Show InChI InChI=1S/C22H24ClN3O3/c1-3-21(27)25-19-12-20(29-2)17(11-18(19)23)22(28)24-16-9-10-26(14-16)13-15-7-5-4-6-8-15/h3-8,11-12,16H,1,9-10,13-14H2,2H3,(H,24,28)(H,25,27)/t16-/m0/s1
Reactome pathway
KEGG

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.30n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Binding affinity to Human Dopamine receptor D4 expressed in CHO cells was determined using [3H]- nemonapride as radioligand


J Med Chem 39: 2764-72 (1996)


Article DOI: 10.1021/jm9601720
BindingDB Entry DOI: 10.7270/Q2SB44VK
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50052184
PNG
(5-Chloro-N-((S)-1-cycloheptyl-pyrrolidin-3-yl)-4-(...)
Show SMILES COc1cc(NC(=O)C2CC2)c(Cl)cc1C(=O)N[C@H]1CCN(C1)C1CCCCCC1
Show InChI InChI=1S/C23H32ClN3O3/c1-30-21-13-20(26-22(28)15-8-9-15)19(24)12-18(21)23(29)25-16-10-11-27(14-16)17-6-4-2-3-5-7-17/h12-13,15-17H,2-11,14H2,1H3,(H,25,29)(H,26,28)/t16-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.5n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Binding affinity of the compound to rat Dopamine receptor D3 expressed in CHO cells was determined using [125 I] iodosulpride as radioligand


J Med Chem 39: 2764-72 (1996)


Article DOI: 10.1021/jm9601720
BindingDB Entry DOI: 10.7270/Q2SB44VK
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50052180
PNG
(CHEMBL328866 | N-((S)-1-Benzyl-pyrrolidin-3-yl)-5-...)
Show SMILES COc1cc(NC(=O)C2CC2)c(Cl)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1
Show InChI InChI=1S/C23H26ClN3O3/c1-30-21-12-20(26-22(28)16-7-8-16)19(24)11-18(21)23(29)25-17-9-10-27(14-17)13-15-5-3-2-4-6-15/h2-6,11-12,16-17H,7-10,13-14H2,1H3,(H,25,29)(H,26,28)/t17-/m0/s1
Reactome pathway
KEGG

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.10n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Binding affinity to Human Dopamine receptor D4 expressed in CHO cells was determined using [3H]- nemonapride as radioligand


J Med Chem 39: 2764-72 (1996)


Article DOI: 10.1021/jm9601720
BindingDB Entry DOI: 10.7270/Q2SB44VK
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50052183
PNG
(CHEMBL94050 | N-((S)-1-Bicyclo[3.3.1]non-9-yl-pyrr...)
Show SMILES COc1cc(NC(=O)C2CC2)c(Cl)cc1C(=O)N[C@H]1CCN(C1)C1C2CCCC1CCC2
Show InChI InChI=1S/C25H34ClN3O3/c1-32-22-13-21(28-24(30)17-8-9-17)20(26)12-19(22)25(31)27-18-10-11-29(14-18)23-15-4-2-5-16(23)7-3-6-15/h12-13,15-18,23H,2-11,14H2,1H3,(H,27,31)(H,28,30)/t15?,16?,18-,23?/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.20n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Binding affinity of the compound to rat Dopamine receptor D3 expressed in CHO cells was determined using [125 I] iodosulpride as radioligand


J Med Chem 39: 2764-72 (1996)


Article DOI: 10.1021/jm9601720
BindingDB Entry DOI: 10.7270/Q2SB44VK
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50052184
PNG
(5-Chloro-N-((S)-1-cycloheptyl-pyrrolidin-3-yl)-4-(...)
Show SMILES COc1cc(NC(=O)C2CC2)c(Cl)cc1C(=O)N[C@H]1CCN(C1)C1CCCCCC1
Show InChI InChI=1S/C23H32ClN3O3/c1-30-21-13-20(26-22(28)15-8-9-15)19(24)12-18(21)23(29)25-16-10-11-27(14-16)17-6-4-2-3-5-7-17/h12-13,15-17H,2-11,14H2,1H3,(H,25,29)(H,26,28)/t16-/m0/s1
Reactome pathway
KEGG

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Yamanouchi Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Binding affinity to Human Dopamine receptor D4 expressed in CHO cells was determined using [3H]- nemonapride as radioligand


J Med Chem 39: 2764-72 (1996)


Article DOI: 10.1021/jm9601720
BindingDB Entry DOI: 10.7270/Q2SB44VK
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50052179
PNG
(CHEMBL93021 | N-((S)-1-Benzyl-pyrrolidin-3-yl)-5-c...)
Show SMILES COc1cc(NC(=O)C(C)C)c(Cl)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1
Show InChI InChI=1S/C23H28ClN3O3/c1-15(2)22(28)26-20-12-21(30-3)18(11-19(20)24)23(29)25-17-9-10-27(14-17)13-16-7-5-4-6-8-16/h4-8,11-12,15,17H,9-10,13-14H2,1-3H3,(H,25,29)(H,26,28)/t17-/m0/s1
Reactome pathway
KEGG

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Yamanouchi Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Binding affinity to Human Dopamine receptor D4 expressed in CHO cells was determined using [3H]- nemonapride as radioligand


J Med Chem 39: 2764-72 (1996)


Article DOI: 10.1021/jm9601720
BindingDB Entry DOI: 10.7270/Q2SB44VK
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50052183
PNG
(CHEMBL94050 | N-((S)-1-Bicyclo[3.3.1]non-9-yl-pyrr...)
Show SMILES COc1cc(NC(=O)C2CC2)c(Cl)cc1C(=O)N[C@H]1CCN(C1)C1C2CCCC1CCC2
Show InChI InChI=1S/C25H34ClN3O3/c1-32-22-13-21(28-24(30)17-8-9-17)20(26)12-19(22)25(31)27-18-10-11-29(14-18)23-15-4-2-5-16(23)7-3-6-15/h12-13,15-18,23H,2-11,14H2,1H3,(H,27,31)(H,28,30)/t15?,16?,18-,23?/m0/s1
Reactome pathway
KEGG

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.80n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Binding affinity to Human Dopamine receptor D4 expressed in CHO cells was determined using [3H]- nemonapride as radioligand


J Med Chem 39: 2764-72 (1996)


Article DOI: 10.1021/jm9601720
BindingDB Entry DOI: 10.7270/Q2SB44VK
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50052186
PNG
(4-Acryloylamino-N-((S)-1-benzyl-pyrrolidin-3-yl)-5...)
Show SMILES COc1cc(NC(=O)C=C)c(Cl)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1
Show InChI InChI=1S/C22H24ClN3O3/c1-3-21(27)25-19-12-20(29-2)17(11-18(19)23)22(28)24-16-9-10-26(14-16)13-15-7-5-4-6-8-15/h3-8,11-12,16H,1,9-10,13-14H2,2H3,(H,24,28)(H,25,27)/t16-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.70n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Binding affinity of the compound to rat Dopamine receptor D3 expressed in CHO cells was determined using [125 I] iodosulpride as radioligand


J Med Chem 39: 2764-72 (1996)


Article DOI: 10.1021/jm9601720
BindingDB Entry DOI: 10.7270/Q2SB44VK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50005839
PNG
((endo) 4-Amino-5-chloro-2-ethoxy-N-(hexahydro-pyrr...)
Show SMILES CCOc1cc(N)c(Cl)cc1C(=O)NC1CCN2CCCC12
Show InChI InChI=1S/C16H22ClN3O2/c1-2-22-15-9-12(18)11(17)8-10(15)16(21)19-13-5-7-20-6-3-4-14(13)20/h8-9,13-14H,2-7,18H2,1H3,(H,19,21)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]GR-65630 binding to 5-hydroxytryptamine 3 receptor


J Med Chem 35: 1486-9 (1992)


Article DOI: 10.1021/jm00086a019
BindingDB Entry DOI: 10.7270/Q2CC11B3
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50005840
PNG
((endo) 4-Amino-5-chloro-N-(hexahydro-pyrrolizin-1-...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CCN2CCCC12
Show InChI InChI=1S/C15H20ClN3O2/c1-21-14-8-11(17)10(16)7-9(14)15(20)18-12-4-6-19-5-2-3-13(12)19/h7-8,12-13H,2-6,17H2,1H3,(H,18,20)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]GR-65630 binding to 5-hydroxytryptamine 3 receptor


J Med Chem 35: 1486-9 (1992)


Article DOI: 10.1021/jm00086a019
BindingDB Entry DOI: 10.7270/Q2CC11B3
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50052179
PNG
(CHEMBL93021 | N-((S)-1-Benzyl-pyrrolidin-3-yl)-5-c...)
Show SMILES COc1cc(NC(=O)C(C)C)c(Cl)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1
Show InChI InChI=1S/C23H28ClN3O3/c1-15(2)22(28)26-20-12-21(30-3)18(11-19(20)24)23(29)25-17-9-10-27(14-17)13-16-7-5-4-6-8-16/h4-8,11-12,15,17H,9-10,13-14H2,1-3H3,(H,25,29)(H,26,28)/t17-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Yamanouchi Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Binding affinity of the compound to rat Dopamine receptor D3 expressed in CHO cells was determined using [125 I] iodosulpride as radioligand


J Med Chem 39: 2764-72 (1996)


Article DOI: 10.1021/jm9601720
BindingDB Entry DOI: 10.7270/Q2SB44VK
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50052188
PNG
(CHEMBL94200 | N-((R)-1-Benzyl-pyrrolidin-3-yl)-5-c...)
Show SMILES COc1cc(NC(=O)C2CCCC2)c(Cl)cc1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1
Show InChI InChI=1S/C25H30ClN3O3/c1-32-23-14-22(28-24(30)18-9-5-6-10-18)21(26)13-20(23)25(31)27-19-11-12-29(16-19)15-17-7-3-2-4-8-17/h2-4,7-8,13-14,18-19H,5-6,9-12,15-16H2,1H3,(H,27,31)(H,28,30)/t19-/m1/s1
Reactome pathway
KEGG

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Yamanouchi Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Binding affinity to Human Dopamine receptor D4 expressed in CHO cells was determined using [3H]- nemonapride as radioligand


J Med Chem 39: 2764-72 (1996)


Article DOI: 10.1021/jm9601720
BindingDB Entry DOI: 10.7270/Q2SB44VK
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50052184
PNG
(5-Chloro-N-((S)-1-cycloheptyl-pyrrolidin-3-yl)-4-(...)
Show SMILES COc1cc(NC(=O)C2CC2)c(Cl)cc1C(=O)N[C@H]1CCN(C1)C1CCCCCC1
Show InChI InChI=1S/C23H32ClN3O3/c1-30-21-13-20(26-22(28)15-8-9-15)19(24)12-18(21)23(29)25-16-10-11-27(14-16)17-6-4-2-3-5-7-17/h12-13,15-17H,2-11,14H2,1H3,(H,25,29)(H,26,28)/t16-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Yamanouchi Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Binding affinity to rat Dopamine receptor D2 expressesd in CHO cells was determined using [125 I ] iodosulpride as radioligand


J Med Chem 39: 2764-72 (1996)


Article DOI: 10.1021/jm9601720
BindingDB Entry DOI: 10.7270/Q2SB44VK
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50052185
PNG
(CHEMBL92030 | N-((S)-1-Benzyl-pyrrolidin-3-yl)-5-c...)
Show SMILES COc1cc(NC(=O)C2CCCC2)c(Cl)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1
Show InChI InChI=1S/C25H30ClN3O3/c1-32-23-14-22(28-24(30)18-9-5-6-10-18)21(26)13-20(23)25(31)27-19-11-12-29(16-19)15-17-7-3-2-4-8-17/h2-4,7-8,13-14,18-19H,5-6,9-12,15-16H2,1H3,(H,27,31)(H,28,30)/t19-/m0/s1
Reactome pathway
KEGG

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Yamanouchi Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Binding affinity to Human Dopamine receptor D4 expressed in CHO cells was determined using [3H]- nemonapride as radioligand


J Med Chem 39: 2764-72 (1996)


Article DOI: 10.1021/jm9601720
BindingDB Entry DOI: 10.7270/Q2SB44VK
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50052180
PNG
(CHEMBL328866 | N-((S)-1-Benzyl-pyrrolidin-3-yl)-5-...)
Show SMILES COc1cc(NC(=O)C2CC2)c(Cl)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1
Show InChI InChI=1S/C23H26ClN3O3/c1-30-21-12-20(26-22(28)16-7-8-16)19(24)11-18(21)23(29)25-17-9-10-27(14-17)13-15-5-3-2-4-6-15/h2-6,11-12,16-17H,7-10,13-14H2,1H3,(H,25,29)(H,26,28)/t17-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Yamanouchi Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Binding affinity of the compound to rat Dopamine receptor D3 expressed in CHO cells was determined using [125 I] iodosulpride as radioligand


J Med Chem 39: 2764-72 (1996)


Article DOI: 10.1021/jm9601720
BindingDB Entry DOI: 10.7270/Q2SB44VK
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50052186
PNG
(4-Acryloylamino-N-((S)-1-benzyl-pyrrolidin-3-yl)-5...)
Show SMILES COc1cc(NC(=O)C=C)c(Cl)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1
Show InChI InChI=1S/C22H24ClN3O3/c1-3-21(27)25-19-12-20(29-2)17(11-18(19)23)22(28)24-16-9-10-26(14-16)13-15-7-5-4-6-8-15/h3-8,11-12,16H,1,9-10,13-14H2,2H3,(H,24,28)(H,25,27)/t16-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
27n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Binding affinity to rat Dopamine receptor D2 expressesd in CHO cells was determined using [125 I ] iodosulpride as radioligand


J Med Chem 39: 2764-72 (1996)


Article DOI: 10.1021/jm9601720
BindingDB Entry DOI: 10.7270/Q2SB44VK
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50052179
PNG
(CHEMBL93021 | N-((S)-1-Benzyl-pyrrolidin-3-yl)-5-c...)
Show SMILES COc1cc(NC(=O)C(C)C)c(Cl)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1
Show InChI InChI=1S/C23H28ClN3O3/c1-15(2)22(28)26-20-12-21(30-3)18(11-19(20)24)23(29)25-17-9-10-27(14-17)13-16-7-5-4-6-8-16/h4-8,11-12,15,17H,9-10,13-14H2,1-3H3,(H,25,29)(H,26,28)/t17-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Yamanouchi Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Binding affinity to rat Dopamine receptor D2 expressesd in CHO cells was determined using [125 I ] iodosulpride as radioligand


J Med Chem 39: 2764-72 (1996)


Article DOI: 10.1021/jm9601720
BindingDB Entry DOI: 10.7270/Q2SB44VK
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50052185
PNG
(CHEMBL92030 | N-((S)-1-Benzyl-pyrrolidin-3-yl)-5-c...)
Show SMILES COc1cc(NC(=O)C2CCCC2)c(Cl)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1
Show InChI InChI=1S/C25H30ClN3O3/c1-32-23-14-22(28-24(30)18-9-5-6-10-18)21(26)13-20(23)25(31)27-19-11-12-29(16-19)15-17-7-3-2-4-8-17/h2-4,7-8,13-14,18-19H,5-6,9-12,15-16H2,1H3,(H,27,31)(H,28,30)/t19-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
55n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Binding affinity of the compound to rat Dopamine receptor D3 expressed in CHO cells was determined using [125 I] iodosulpride as radioligand


J Med Chem 39: 2764-72 (1996)


Article DOI: 10.1021/jm9601720
BindingDB Entry DOI: 10.7270/Q2SB44VK
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50052189
PNG
(4-Benzoylamino-N-((S)-1-benzyl-pyrrolidin-3-yl)-5-...)
Show SMILES COc1cc(NC(=O)c2ccccc2)c(Cl)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1
Show InChI InChI=1S/C26H26ClN3O3/c1-33-24-15-23(29-25(31)19-10-6-3-7-11-19)22(27)14-21(24)26(32)28-20-12-13-30(17-20)16-18-8-4-2-5-9-18/h2-11,14-15,20H,12-13,16-17H2,1H3,(H,28,32)(H,29,31)/t20-/m0/s1
Reactome pathway
KEGG

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
87n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Binding affinity to Human Dopamine receptor D4 expressed in CHO cells was determined using [3H]- nemonapride as radioligand


J Med Chem 39: 2764-72 (1996)


Article DOI: 10.1021/jm9601720
BindingDB Entry DOI: 10.7270/Q2SB44VK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50005840
PNG
((endo) 4-Amino-5-chloro-N-(hexahydro-pyrrolizin-1-...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CCN2CCCC12
Show InChI InChI=1S/C15H20ClN3O2/c1-21-14-8-11(17)10(16)7-9(14)15(20)18-12-4-6-19-5-2-3-13(12)19/h7-8,12-13H,2-6,17H2,1H3,(H,18,20)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
96n/an/an/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]GR-65630 binding to 5-hydroxytryptamine 3 receptor


J Med Chem 35: 1486-9 (1992)


Article DOI: 10.1021/jm00086a019
BindingDB Entry DOI: 10.7270/Q2CC11B3
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50005839
PNG
((endo) 4-Amino-5-chloro-2-ethoxy-N-(hexahydro-pyrr...)
Show SMILES CCOc1cc(N)c(Cl)cc1C(=O)NC1CCN2CCCC12
Show InChI InChI=1S/C16H22ClN3O2/c1-2-22-15-9-12(18)11(17)8-10(15)16(21)19-13-5-7-20-6-3-4-14(13)20/h8-9,13-14H,2-7,18H2,1H3,(H,19,21)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
99n/an/an/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]GR-65630 binding to 5-hydroxytryptamine 3 receptor


J Med Chem 35: 1486-9 (1992)


Article DOI: 10.1021/jm00086a019
BindingDB Entry DOI: 10.7270/Q2CC11B3
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50052187
PNG
(CHEMBL95096 | N-((S)-1-Benzyl-pyrrolidin-3-yl)-5-c...)
Show SMILES COc1cc(NC(=O)C2CCCCC2)c(Cl)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1
Show InChI InChI=1S/C26H32ClN3O3/c1-33-24-15-23(29-25(31)19-10-6-3-7-11-19)22(27)14-21(24)26(32)28-20-12-13-30(17-20)16-18-8-4-2-5-9-18/h2,4-5,8-9,14-15,19-20H,3,6-7,10-13,16-17H2,1H3,(H,28,32)(H,29,31)/t20-/m0/s1
Reactome pathway
KEGG

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
110n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Binding affinity to Human Dopamine receptor D4 expressed in CHO cells was determined using [3H]- nemonapride as radioligand


J Med Chem 39: 2764-72 (1996)


Article DOI: 10.1021/jm9601720
BindingDB Entry DOI: 10.7270/Q2SB44VK
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50052183
PNG
(CHEMBL94050 | N-((S)-1-Bicyclo[3.3.1]non-9-yl-pyrr...)
Show SMILES COc1cc(NC(=O)C2CC2)c(Cl)cc1C(=O)N[C@H]1CCN(C1)C1C2CCCC1CCC2
Show InChI InChI=1S/C25H34ClN3O3/c1-32-22-13-21(28-24(30)17-8-9-17)20(26)12-19(22)25(31)27-18-10-11-29(14-18)23-15-4-2-5-16(23)7-3-6-15/h12-13,15-18,23H,2-11,14H2,1H3,(H,27,31)(H,28,30)/t15?,16?,18-,23?/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
140n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Binding affinity to rat Dopamine receptor D2 expressesd in CHO cells was determined using [125 I ] iodosulpride as radioligand


J Med Chem 39: 2764-72 (1996)


Article DOI: 10.1021/jm9601720
BindingDB Entry DOI: 10.7270/Q2SB44VK
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50052188
PNG
(CHEMBL94200 | N-((R)-1-Benzyl-pyrrolidin-3-yl)-5-c...)
Show SMILES COc1cc(NC(=O)C2CCCC2)c(Cl)cc1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1
Show InChI InChI=1S/C25H30ClN3O3/c1-32-23-14-22(28-24(30)18-9-5-6-10-18)21(26)13-20(23)25(31)27-19-11-12-29(16-19)15-17-7-3-2-4-8-17/h2-4,7-8,13-14,18-19H,5-6,9-12,15-16H2,1H3,(H,27,31)(H,28,30)/t19-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
150n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Binding affinity of the compound to rat Dopamine receptor D3 expressed in CHO cells was determined using [125 I] iodosulpride as radioligand


J Med Chem 39: 2764-72 (1996)


Article DOI: 10.1021/jm9601720
BindingDB Entry DOI: 10.7270/Q2SB44VK
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50052187
PNG
(CHEMBL95096 | N-((S)-1-Benzyl-pyrrolidin-3-yl)-5-c...)
Show SMILES COc1cc(NC(=O)C2CCCCC2)c(Cl)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1
Show InChI InChI=1S/C26H32ClN3O3/c1-33-24-15-23(29-25(31)19-10-6-3-7-11-19)22(27)14-21(24)26(32)28-20-12-13-30(17-20)16-18-8-4-2-5-9-18/h2,4-5,8-9,14-15,19-20H,3,6-7,10-13,16-17H2,1H3,(H,28,32)(H,29,31)/t20-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
200n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Binding affinity of the compound to rat Dopamine receptor D3 expressed in CHO cells was determined using [125 I] iodosulpride as radioligand


J Med Chem 39: 2764-72 (1996)


Article DOI: 10.1021/jm9601720
BindingDB Entry DOI: 10.7270/Q2SB44VK
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50052189
PNG
(4-Benzoylamino-N-((S)-1-benzyl-pyrrolidin-3-yl)-5-...)
Show SMILES COc1cc(NC(=O)c2ccccc2)c(Cl)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1
Show InChI InChI=1S/C26H26ClN3O3/c1-33-24-15-23(29-25(31)19-10-6-3-7-11-19)22(27)14-21(24)26(32)28-20-12-13-30(17-20)16-18-8-4-2-5-9-18/h2-11,14-15,20H,12-13,16-17H2,1H3,(H,28,32)(H,29,31)/t20-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
200n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Binding affinity of the compound to rat Dopamine receptor D3 expressed in CHO cells was determined using [125 I] iodosulpride as radioligand


J Med Chem 39: 2764-72 (1996)


Article DOI: 10.1021/jm9601720
BindingDB Entry DOI: 10.7270/Q2SB44VK
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50052180
PNG
(CHEMBL328866 | N-((S)-1-Benzyl-pyrrolidin-3-yl)-5-...)
Show SMILES COc1cc(NC(=O)C2CC2)c(Cl)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1
Show InChI InChI=1S/C23H26ClN3O3/c1-30-21-12-20(26-22(28)16-7-8-16)19(24)11-18(21)23(29)25-17-9-10-27(14-17)13-15-5-3-2-4-6-15/h2-6,11-12,16-17H,7-10,13-14H2,1H3,(H,25,29)(H,26,28)/t17-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
220n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Binding affinity to rat Dopamine receptor D2 expressesd in CHO cells was determined using [125 I ] iodosulpride as radioligand


J Med Chem 39: 2764-72 (1996)


Article DOI: 10.1021/jm9601720
BindingDB Entry DOI: 10.7270/Q2SB44VK
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50052189
PNG
(4-Benzoylamino-N-((S)-1-benzyl-pyrrolidin-3-yl)-5-...)
Show SMILES COc1cc(NC(=O)c2ccccc2)c(Cl)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1
Show InChI InChI=1S/C26H26ClN3O3/c1-33-24-15-23(29-25(31)19-10-6-3-7-11-19)22(27)14-21(24)26(32)28-20-12-13-30(17-20)16-18-8-4-2-5-9-18/h2-11,14-15,20H,12-13,16-17H2,1H3,(H,28,32)(H,29,31)/t20-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
630n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Binding affinity to rat Dopamine receptor D2 expressesd in CHO cells was determined using [125 I ] iodosulpride as radioligand


J Med Chem 39: 2764-72 (1996)


Article DOI: 10.1021/jm9601720
BindingDB Entry DOI: 10.7270/Q2SB44VK
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50052188
PNG
(CHEMBL94200 | N-((R)-1-Benzyl-pyrrolidin-3-yl)-5-c...)
Show SMILES COc1cc(NC(=O)C2CCCC2)c(Cl)cc1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1
Show InChI InChI=1S/C25H30ClN3O3/c1-32-23-14-22(28-24(30)18-9-5-6-10-18)21(26)13-20(23)25(31)27-19-11-12-29(16-19)15-17-7-3-2-4-8-17/h2-4,7-8,13-14,18-19H,5-6,9-12,15-16H2,1H3,(H,27,31)(H,28,30)/t19-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
690n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Binding affinity to rat Dopamine receptor D2 expressesd in CHO cells was determined using [125 I ] iodosulpride as radioligand


J Med Chem 39: 2764-72 (1996)


Article DOI: 10.1021/jm9601720
BindingDB Entry DOI: 10.7270/Q2SB44VK
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50052185
PNG
(CHEMBL92030 | N-((S)-1-Benzyl-pyrrolidin-3-yl)-5-c...)
Show SMILES COc1cc(NC(=O)C2CCCC2)c(Cl)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1
Show InChI InChI=1S/C25H30ClN3O3/c1-32-23-14-22(28-24(30)18-9-5-6-10-18)21(26)13-20(23)25(31)27-19-11-12-29(16-19)15-17-7-3-2-4-8-17/h2-4,7-8,13-14,18-19H,5-6,9-12,15-16H2,1H3,(H,27,31)(H,28,30)/t19-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
740n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Binding affinity to rat Dopamine receptor D2 expressesd in CHO cells was determined using [125 I ] iodosulpride as radioligand


J Med Chem 39: 2764-72 (1996)


Article DOI: 10.1021/jm9601720
BindingDB Entry DOI: 10.7270/Q2SB44VK
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50052187
PNG
(CHEMBL95096 | N-((S)-1-Benzyl-pyrrolidin-3-yl)-5-c...)
Show SMILES COc1cc(NC(=O)C2CCCCC2)c(Cl)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1
Show InChI InChI=1S/C26H32ClN3O3/c1-33-24-15-23(29-25(31)19-10-6-3-7-11-19)22(27)14-21(24)26(32)28-20-12-13-30(17-20)16-18-8-4-2-5-9-18/h2,4-5,8-9,14-15,19-20H,3,6-7,10-13,16-17H2,1H3,(H,28,32)(H,29,31)/t20-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.20E+3n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Binding affinity to rat Dopamine receptor D2 expressesd in CHO cells was determined using [125 I ] iodosulpride as radioligand


J Med Chem 39: 2764-72 (1996)


Article DOI: 10.1021/jm9601720
BindingDB Entry DOI: 10.7270/Q2SB44VK
More data for this
Ligand-Target Pair
5-HT3A Serotonin Receptor


(Mus musculus (house mouse))
BDBM50052180
PNG
(CHEMBL328866 | N-((S)-1-Benzyl-pyrrolidin-3-yl)-5-...)
Show SMILES COc1cc(NC(=O)C2CC2)c(Cl)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1
Show InChI InChI=1S/C23H26ClN3O3/c1-30-21-12-20(26-22(28)16-7-8-16)19(24)11-18(21)23(29)25-17-9-10-27(14-17)13-15-5-3-2-4-6-15/h2-6,11-12,16-17H,7-10,13-14H2,1H3,(H,25,29)(H,26,28)/t17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.00E+3n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Compound was tested for the Binding affinity against N1e-115 neuroblastoma 5-hydroxytryptamine 3 receptor by Radio ligand [3H]-GR-65,630 binding assa...


J Med Chem 39: 2764-72 (1996)


Article DOI: 10.1021/jm9601720
BindingDB Entry DOI: 10.7270/Q2SB44VK
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50052180
PNG
(CHEMBL328866 | N-((S)-1-Benzyl-pyrrolidin-3-yl)-5-...)
Show SMILES COc1cc(NC(=O)C2CC2)c(Cl)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1
Show InChI InChI=1S/C23H26ClN3O3/c1-30-21-12-20(26-22(28)16-7-8-16)19(24)11-18(21)23(29)25-17-9-10-27(14-17)13-15-5-3-2-4-6-15/h2-6,11-12,16-17H,7-10,13-14H2,1H3,(H,25,29)(H,26,28)/t17-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.40E+3n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Compound was tested for the Binding affinity against rat cortical Muscarinic acetylcholine receptor M1 by Radio ligand [3H]-pirenzepine binding assay


J Med Chem 39: 2764-72 (1996)


Article DOI: 10.1021/jm9601720
BindingDB Entry DOI: 10.7270/Q2SB44VK
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50052180
PNG
(CHEMBL328866 | N-((S)-1-Benzyl-pyrrolidin-3-yl)-5-...)
Show SMILES COc1cc(NC(=O)C2CC2)c(Cl)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1
Show InChI InChI=1S/C23H26ClN3O3/c1-30-21-12-20(26-22(28)16-7-8-16)19(24)11-18(21)23(29)25-17-9-10-27(14-17)13-15-5-3-2-4-6-15/h2-6,11-12,16-17H,7-10,13-14H2,1H3,(H,25,29)(H,26,28)/t17-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.30E+3n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Compound was tested for the Binding affinity against rat heart Muscarinic acetylcholine receptor M2 by Radio ligand [3H]-quinuclidinyl binding assay


J Med Chem 39: 2764-72 (1996)


Article DOI: 10.1021/jm9601720
BindingDB Entry DOI: 10.7270/Q2SB44VK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50052180
PNG
(CHEMBL328866 | N-((S)-1-Benzyl-pyrrolidin-3-yl)-5-...)
Show SMILES COc1cc(NC(=O)C2CC2)c(Cl)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1
Show InChI InChI=1S/C23H26ClN3O3/c1-30-21-12-20(26-22(28)16-7-8-16)19(24)11-18(21)23(29)25-17-9-10-27(14-17)13-15-5-3-2-4-6-15/h2-6,11-12,16-17H,7-10,13-14H2,1H3,(H,25,29)(H,26,28)/t17-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Compound was tested for the Binding affinity against rat frontal cortex 5-hydroxytryptamine 2A receptor by Radio ligand [3H]-ketanserin binding assay...


J Med Chem 39: 2764-72 (1996)


Article DOI: 10.1021/jm9601720
BindingDB Entry DOI: 10.7270/Q2SB44VK
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50052180
PNG
(CHEMBL328866 | N-((S)-1-Benzyl-pyrrolidin-3-yl)-5-...)
Show SMILES COc1cc(NC(=O)C2CC2)c(Cl)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1
Show InChI InChI=1S/C23H26ClN3O3/c1-30-21-12-20(26-22(28)16-7-8-16)19(24)11-18(21)23(29)25-17-9-10-27(14-17)13-15-5-3-2-4-6-15/h2-6,11-12,16-17H,7-10,13-14H2,1H3,(H,25,29)(H,26,28)/t17-/m0/s1
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Compound was tested for the Binding affinity against Human cloned Dopamine receptor D1 by Radio ligand ([3H]-SCH-23390) binding assay


J Med Chem 39: 2764-72 (1996)


Article DOI: 10.1021/jm9601720
BindingDB Entry DOI: 10.7270/Q2SB44VK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50052180
PNG
(CHEMBL328866 | N-((S)-1-Benzyl-pyrrolidin-3-yl)-5-...)
Show SMILES COc1cc(NC(=O)C2CC2)c(Cl)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1
Show InChI InChI=1S/C23H26ClN3O3/c1-30-21-12-20(26-22(28)16-7-8-16)19(24)11-18(21)23(29)25-17-9-10-27(14-17)13-15-5-3-2-4-6-15/h2-6,11-12,16-17H,7-10,13-14H2,1H3,(H,25,29)(H,26,28)/t17-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Compound was tested for the Binding affinity against rat hippocampal 5-hydroxytryptamine 1A receptor by Radio ligand [3H]-8-OH-DPAT binding assay.


J Med Chem 39: 2764-72 (1996)


Article DOI: 10.1021/jm9601720
BindingDB Entry DOI: 10.7270/Q2SB44VK
More data for this
Ligand-Target Pair
Histamine H1 receptor


(RAT)
BDBM50052180
PNG
(CHEMBL328866 | N-((S)-1-Benzyl-pyrrolidin-3-yl)-5-...)
Show SMILES COc1cc(NC(=O)C2CC2)c(Cl)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1
Show InChI InChI=1S/C23H26ClN3O3/c1-30-21-12-20(26-22(28)16-7-8-16)19(24)11-18(21)23(29)25-17-9-10-27(14-17)13-15-5-3-2-4-6-15/h2-6,11-12,16-17H,7-10,13-14H2,1H3,(H,25,29)(H,26,28)/t17-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Compound was tested for the Binding affinity against rat cortical H1 receptor by Radio ligand [3H]-pyrilamine binding assay


J Med Chem 39: 2764-72 (1996)


Article DOI: 10.1021/jm9601720
BindingDB Entry DOI: 10.7270/Q2SB44VK
More data for this
Ligand-Target Pair
Dopamine D5 receptor


(Homo sapiens (Human))
BDBM50052180
PNG
(CHEMBL328866 | N-((S)-1-Benzyl-pyrrolidin-3-yl)-5-...)
Show SMILES COc1cc(NC(=O)C2CC2)c(Cl)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1
Show InChI InChI=1S/C23H26ClN3O3/c1-30-21-12-20(26-22(28)16-7-8-16)19(24)11-18(21)23(29)25-17-9-10-27(14-17)13-15-5-3-2-4-6-15/h2-6,11-12,16-17H,7-10,13-14H2,1H3,(H,25,29)(H,26,28)/t17-/m0/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Compound was tested for the Binding affinity against Human cloned Dopamine receptor D5 by Radio ligand ([3H]-SCH-23390) binding assay


J Med Chem 39: 2764-72 (1996)


Article DOI: 10.1021/jm9601720
BindingDB Entry DOI: 10.7270/Q2SB44VK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50450878
PNG
(CHEMBL2093036)
Show SMILES CCN1CCCC[C@@H](C1)NC(=O)c1cc(Cl)c(N)cc1OC
Show InChI InChI=1S/C16H24ClN3O2/c1-3-20-7-5-4-6-11(10-20)19-16(21)12-8-13(17)14(18)9-15(12)22-2/h8-9,11H,3-7,10,18H2,1-2H3,(H,19,21)/t11-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Dainippon Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 3 receptor in rat cortical membrane using [3H]GR-65630 as radioligand


Bioorg Med Chem Lett 8: 619-24 (1999)


Article DOI: 10.1016/s0960-894x(98)00078-x
BindingDB Entry DOI: 10.7270/Q25Q4WN6
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50454212
PNG
(CHEBI:64217 | Emonapride | NEMONAPRIDE | Nemonapri...)
Show SMILES CNc1cc(OC)c(cc1Cl)C(=O)NC1CCN(Cc2ccccc2)C1C
Show InChI InChI=1S/C21H26ClN3O2/c1-14-18(9-10-25(14)13-15-7-5-4-6-8-15)24-21(26)16-11-17(22)19(23-2)12-20(16)27-3/h4-8,11-12,14,18,23H,9-10,13H2,1-3H3,(H,24,26)
Reactome pathway
KEGG

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 0.210n/an/an/an/an/a



Yamanouchi Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Binding Affinity of the compound to Human Dopamine receptor D4 expressed in CHO cells was determined using [3H]- nemonapride as radioligand


J Med Chem 39: 2764-72 (1996)


Article DOI: 10.1021/jm9601720
BindingDB Entry DOI: 10.7270/Q2SB44VK
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50454212
PNG
(CHEBI:64217 | Emonapride | NEMONAPRIDE | Nemonapri...)
Show SMILES CNc1cc(OC)c(cc1Cl)C(=O)NC1CCN(Cc2ccccc2)C1C
Show InChI InChI=1S/C21H26ClN3O2/c1-14-18(9-10-25(14)13-15-7-5-4-6-8-15)24-21(26)16-11-17(22)19(23-2)12-20(16)27-3/h4-8,11-12,14,18,23H,9-10,13H2,1-3H3,(H,24,26)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.480n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity to dopamine receptor D2 using a [3H]-spiperone binding assay in rat cortical membranes


J Med Chem 39: 3723-38 (1996)


Article DOI: 10.1021/jm960159f
BindingDB Entry DOI: 10.7270/Q2CZ368W
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50454212
PNG
(CHEBI:64217 | Emonapride | NEMONAPRIDE | Nemonapri...)
Show SMILES CNc1cc(OC)c(cc1Cl)C(=O)NC1CCN(Cc2ccccc2)C1C
Show InChI InChI=1S/C21H26ClN3O2/c1-14-18(9-10-25(14)13-15-7-5-4-6-8-15)24-21(26)16-11-17(22)19(23-2)12-20(16)27-3/h4-8,11-12,14,18,23H,9-10,13H2,1-3H3,(H,24,26)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 49n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity to serotonin 5-hydroxytryptamine 2A receptors using a radioligand [3H]-ketanserin binding assay in rat cortical membranes


J Med Chem 39: 3723-38 (1996)


Article DOI: 10.1021/jm960159f
BindingDB Entry DOI: 10.7270/Q2CZ368W
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50454212
PNG
(CHEBI:64217 | Emonapride | NEMONAPRIDE | Nemonapri...)
Show SMILES CNc1cc(OC)c(cc1Cl)C(=O)NC1CCN(Cc2ccccc2)C1C
Show InChI InChI=1S/C21H26ClN3O2/c1-14-18(9-10-25(14)13-15-7-5-4-6-8-15)24-21(26)16-11-17(22)19(23-2)12-20(16)27-3/h4-8,11-12,14,18,23H,9-10,13H2,1-3H3,(H,24,26)
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 540n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity to the alpha-1 adrenergic receptor using a radioligand [3H]-prazosin binding assay in rat brain membranes


J Med Chem 39: 3723-38 (1996)


Article DOI: 10.1021/jm960159f
BindingDB Entry DOI: 10.7270/Q2CZ368W
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50450877
PNG
(CHEMBL2093035)
Show SMILES CCN1CCCC[C@@H](C1)NC(=O)c1cc(Cl)c(NC)cc1OC
Show InChI InChI=1S/C17H26ClN3O2/c1-4-21-8-6-5-7-12(11-21)20-17(22)13-9-14(18)15(19-2)10-16(13)23-3/h9-10,12,19H,4-8,11H2,1-3H3,(H,20,22)/t12-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.5n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 3 receptor in rat cortical membrane using [3H]GR-65630 as radioligand


Bioorg Med Chem Lett 8: 619-24 (1999)


Article DOI: 10.1016/s0960-894x(98)00078-x
BindingDB Entry DOI: 10.7270/Q25Q4WN6
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50450877
PNG
(CHEMBL2093035)
Show SMILES CCN1CCCC[C@@H](C1)NC(=O)c1cc(Cl)c(NC)cc1OC
Show InChI InChI=1S/C17H26ClN3O2/c1-4-21-8-6-5-7-12(11-21)20-17(22)13-9-14(18)15(19-2)10-16(13)23-3/h9-10,12,19H,4-8,11H2,1-3H3,(H,20,22)/t12-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 367n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against dopamine D2 receptor in rat brain synaptic membrane using [3H]-spiperone as radioligand


Bioorg Med Chem Lett 8: 619-24 (1999)


Article DOI: 10.1016/s0960-894x(98)00078-x
BindingDB Entry DOI: 10.7270/Q25Q4WN6
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50450878
PNG
(CHEMBL2093036)
Show SMILES CCN1CCCC[C@@H](C1)NC(=O)c1cc(Cl)c(N)cc1OC
Show InChI InChI=1S/C16H24ClN3O2/c1-3-20-7-5-4-6-11(10-20)19-16(21)12-8-13(17)14(18)9-15(12)22-2/h8-9,11H,3-7,10,18H2,1-2H3,(H,19,21)/t11-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against dopamine D2 receptor in rat brain synaptic membrane using [3H]-spiperone as radioligand


Bioorg Med Chem Lett 8: 619-24 (1999)


Article DOI: 10.1016/s0960-894x(98)00078-x
BindingDB Entry DOI: 10.7270/Q25Q4WN6
More data for this
Ligand-Target Pair