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BDBM50052197 5-Chloro-N-((S)-1-cyclohexylmethyl-pyrrolidin-3-yl)-4-(cyclopropanecarbonyl-amino)-2-methoxy-benzamide::CHEMBL96703

SMILES: COc1cc(NC(=O)C2CC2)c(Cl)cc1C(=O)N[C@H]1CCN(CC2CCCCC2)C1

InChI Key: InChIKey=GOKWZHYWRXDYNW-KRWDZBQOSA-N

Data: 3 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50052197   
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))
BDBM50052197
PNG
(5-Chloro-N-((S)-1-cyclohexylmethyl-pyrrolidin-3-yl...)
Show SMILES COc1cc(NC(=O)C2CC2)c(Cl)cc1C(=O)N[C@H]1CCN(CC2CCCCC2)C1
Show InChI InChI=1S/C23H32ClN3O3/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/h11-12,15-17H,2-10,13-14H2,1H3,(H,25,29)(H,26,28)/t17-/m0/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
3.30n/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))
BDBM50052197
PNG
(5-Chloro-N-((S)-1-cyclohexylmethyl-pyrrolidin-3-yl...)
Show SMILES COc1cc(NC(=O)C2CC2)c(Cl)cc1C(=O)N[C@H]1CCN(CC2CCCCC2)C1
Show InChI InChI=1S/C23H32ClN3O3/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/h11-12,15-17H,2-10,13-14H2,1H3,(H,25,29)(H,26,28)/t17-/m0/s1
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UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.70n/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
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50052197
PNG
(5-Chloro-N-((S)-1-cyclohexylmethyl-pyrrolidin-3-yl...)
Show SMILES COc1cc(NC(=O)C2CC2)c(Cl)cc1C(=O)N[C@H]1CCN(CC2CCCCC2)C1
Show InChI InChI=1S/C23H32ClN3O3/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/h11-12,15-17H,2-10,13-14H2,1H3,(H,25,29)(H,26,28)/t17-/m0/s1
PDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
32n/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