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BDBM50052194 4-Amino-N-((R)-1-benzyl-pyrrolidin-3-yl)-5-chloro-2-methoxy-benzamide::CHEMBL327984

SMILES: COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1

InChI Key: InChIKey=SJBNXYKTYPFRET-CQSZACIVSA-N

Data: 3 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50052194   
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
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50052194
PNG
(4-Amino-N-((R)-1-benzyl-pyrrolidin-3-yl)-5-chloro-...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1
Show InChI InChI=1S/C19H22ClN3O2/c1-25-18-10-17(21)16(20)9-15(18)19(24)22-14-7-8-23(12-14)11-13-5-3-2-4-6-13/h2-6,9-10,14H,7-8,11-12,21H2,1H3,(H,22,24)/t14-/m1/s1
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PC sid
UniChem

Similars

Article
PubMed
0.550n/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
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50052194
PNG
(4-Amino-N-((R)-1-benzyl-pyrrolidin-3-yl)-5-chloro-...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1
Show InChI InChI=1S/C19H22ClN3O2/c1-25-18-10-17(21)16(20)9-15(18)19(24)22-14-7-8-23(12-14)11-13-5-3-2-4-6-13/h2-6,9-10,14H,7-8,11-12,21H2,1H3,(H,22,24)/t14-/m1/s1
PDB

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PC sid
UniChem

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Article
PubMed
1.20n/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
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50052194
PNG
(4-Amino-N-((R)-1-benzyl-pyrrolidin-3-yl)-5-chloro-...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1
Show InChI InChI=1S/C19H22ClN3O2/c1-25-18-10-17(21)16(20)9-15(18)19(24)22-14-7-8-23(12-14)11-13-5-3-2-4-6-13/h2-6,9-10,14H,7-8,11-12,21H2,1H3,(H,22,24)/t14-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.90n/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