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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'D(2) dopamine receptor' and Ligand = 'BDBM50251204'   
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))
BDBM50251204
PNG
(CHEMBL4075591)
Show SMILES COC(=O)C1(CC1CN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C23H26ClNO3/c1-28-21(26)23(18-5-3-2-4-6-18)15-19(23)16-25-13-11-22(27,12-14-25)17-7-9-20(24)10-8-17/h2-10,19,27H,11-16H2,1H3
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KEGG

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PC cid
PC sid
UniChem

Similars

Article
PubMed
378n/an/an/an/an/an/an/an/a



Dipartimento di Scienze del Farmaco, Università di Catania , Viale A. Doria 6, 95125 Catania, Italy.

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from dopamine D2 receptor in rat strriatum after 15 mins by liquid scintillation counting method


J Med Chem 61: 372-384 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01584
BindingDB Entry DOI: 10.7270/Q2319Z9X
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50251204
PNG
(CHEMBL4075591)
Show SMILES COC(=O)C1(CC1CN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C23H26ClNO3/c1-28-21(26)23(18-5-3-2-4-6-18)15-19(23)16-25-13-11-22(27,12-14-25)17-7-9-20(24)10-8-17/h2-10,19,27H,11-16H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.20E+3n/an/an/an/an/an/an/an/a



Dipartimento di Scienze del Farmaco, Università di Catania , Viale A. Doria 6, 95125 Catania, Italy.

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from dopamine D2 receptor in rat strriatum after 15 mins by liquid scintillation counting method


J Med Chem 61: 372-384 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01584
BindingDB Entry DOI: 10.7270/Q2319Z9X
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50251204
PNG
(CHEMBL4075591)
Show SMILES COC(=O)C1(CC1CN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C23H26ClNO3/c1-28-21(26)23(18-5-3-2-4-6-18)15-19(23)16-25-13-11-22(27,12-14-25)17-7-9-20(24)10-8-17/h2-10,19,27H,11-16H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.20E+3n/an/an/an/an/an/an/an/a



Dipartimento di Scienze del Farmaco, Università di Catania , Viale A. Doria 6, 95125 Catania, Italy.

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from dopamine D2 receptor in rat strriatum after 15 mins by liquid scintillation counting method


J Med Chem 61: 372-384 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01584
BindingDB Entry DOI: 10.7270/Q2319Z9X
More data for this
Ligand-Target Pair