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BDBM50198269 3-((4-(4-chlorophenyl)-4-methoxypiperidin-1-yl)methyl)-1H-indole::CHEMBL246438

SMILES: COC1(CCN(Cc2c[nH]c3ccccc23)CC1)c1ccc(Cl)cc1

InChI Key: InChIKey=KEFPLNQTZDBPPV-UHFFFAOYSA-N

Data: 3 KI  2 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50198269   
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))
BDBM50198269
PNG
(3-((4-(4-chlorophenyl)-4-methoxypiperidin-1-yl)met...)
Show SMILES COC1(CCN(Cc2c[nH]c3ccccc23)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClN2O/c1-25-21(17-6-8-18(22)9-7-17)10-12-24(13-11-21)15-16-14-23-20-5-3-2-4-19(16)20/h2-9,14,23H,10-13,15H2,1H3
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PC sid
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Article
PubMed
34.1n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D4 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 745-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.076
BindingDB Entry DOI: 10.7270/Q2N879FG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50198269
PNG
(3-((4-(4-chlorophenyl)-4-methoxypiperidin-1-yl)met...)
Show SMILES COC1(CCN(Cc2c[nH]c3ccccc23)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClN2O/c1-25-21(17-6-8-18(22)9-7-17)10-12-24(13-11-21)15-16-14-23-20-5-3-2-4-19(16)20/h2-9,14,23H,10-13,15H2,1H3
PDB

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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
68.1n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D2L receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 745-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.076
BindingDB Entry DOI: 10.7270/Q2N879FG
More data for this
Ligand-Target Pair
D2-like dopamine receptor


(Homo sapiens (Human))
BDBM50198269
PNG
(3-((4-(4-chlorophenyl)-4-methoxypiperidin-1-yl)met...)
Show SMILES COC1(CCN(Cc2c[nH]c3ccccc23)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClN2O/c1-25-21(17-6-8-18(22)9-7-17)10-12-24(13-11-21)15-16-14-23-20-5-3-2-4-19(16)20/h2-9,14,23H,10-13,15H2,1H3
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
262n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D3 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 745-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.076
BindingDB Entry DOI: 10.7270/Q2N879FG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50198269
PNG
(3-((4-(4-chlorophenyl)-4-methoxypiperidin-1-yl)met...)
Show SMILES COC1(CCN(Cc2c[nH]c3ccccc23)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClN2O/c1-25-21(17-6-8-18(22)9-7-17)10-12-24(13-11-21)15-16-14-23-20-5-3-2-4-19(16)20/h2-9,14,23H,10-13,15H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 34.7n/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D2 receptor expressed in CHO cells assessed as inhibition of quinpirole stimulated mitogenesis


Bioorg Med Chem Lett 17: 745-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.076
BindingDB Entry DOI: 10.7270/Q2N879FG
More data for this
Ligand-Target Pair
D2-like dopamine receptor


(Homo sapiens (Human))
BDBM50198269
PNG
(3-((4-(4-chlorophenyl)-4-methoxypiperidin-1-yl)met...)
Show SMILES COC1(CCN(Cc2c[nH]c3ccccc23)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClN2O/c1-25-21(17-6-8-18(22)9-7-17)10-12-24(13-11-21)15-16-14-23-20-5-3-2-4-19(16)20/h2-9,14,23H,10-13,15H2,1H3
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 248n/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor expressed in CHO cells assessed as inhibition of quinpirole stimulated mitogenesis


Bioorg Med Chem Lett 17: 745-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.076
BindingDB Entry DOI: 10.7270/Q2N879FG
More data for this
Ligand-Target Pair