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BDBM50304002 2-(1-Naphthylmethyl)-4-piperazin-1-yl-1H-benzimidazole::CHEMBL571762

SMILES: C(c1nc2c(cccc2[nH]1)N1CCNCC1)c1cccc2ccccc12

InChI Key: InChIKey=QGBIJZJXSDKKSW-UHFFFAOYSA-N

Data: 4 KI

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 4 hits for monomerid = 50304002   
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
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50304002
PNG
(2-(1-Naphthylmethyl)-4-piperazin-1-yl-1H-benzimida...)
Show SMILES C(c1nc2c(cccc2[nH]1)N1CCNCC1)c1cccc2ccccc12
Show InChI InChI=1S/C22H22N4/c1-2-8-18-16(5-1)6-3-7-17(18)15-21-24-19-9-4-10-20(22(19)25-21)26-13-11-23-12-14-26/h1-10,23H,11-15H2,(H,24,25)
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UniProtKB/SwissProt

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GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
16n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant 5HT6 receptor expressed in CHO cells


J Med Chem 57: 7160-81 (2014)


Article DOI: 10.1021/jm5003952
BindingDB Entry DOI: 10.7270/Q2X92CZZ
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50304002
PNG
(2-(1-Naphthylmethyl)-4-piperazin-1-yl-1H-benzimida...)
Show SMILES C(c1nc2c(cccc2[nH]1)N1CCNCC1)c1cccc2ccccc12
Show InChI InChI=1S/C22H22N4/c1-2-8-18-16(5-1)6-3-7-17(18)15-21-24-19-9-4-10-20(22(19)25-21)26-13-11-23-12-14-26/h1-10,23H,11-15H2,(H,24,25)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
16n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT6 receptor expressed in COS7 cells assessed as inhibition of seratonin-induced cAMP accumulation by HTRF assay


J Med Chem 53: 1357-69 (2010)


Article DOI: 10.1021/jm901672k
BindingDB Entry DOI: 10.7270/Q2Z320KQ
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50304002
PNG
(2-(1-Naphthylmethyl)-4-piperazin-1-yl-1H-benzimida...)
Show SMILES C(c1nc2c(cccc2[nH]1)N1CCNCC1)c1cccc2ccccc12
Show InChI InChI=1S/C22H22N4/c1-2-8-18-16(5-1)6-3-7-17(18)15-21-24-19-9-4-10-20(22(19)25-21)26-13-11-23-12-14-26/h1-10,23H,11-15H2,(H,24,25)
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PC sid
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16n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 53: 1357-69 (2010)


Article DOI: 10.1021/jm901672k
BindingDB Entry DOI: 10.7270/Q2Z320KQ
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50304002
PNG
(2-(1-Naphthylmethyl)-4-piperazin-1-yl-1H-benzimida...)
Show SMILES C(c1nc2c(cccc2[nH]1)N1CCNCC1)c1cccc2ccccc12
Show InChI InChI=1S/C22H22N4/c1-2-8-18-16(5-1)6-3-7-17(18)15-21-24-19-9-4-10-20(22(19)25-21)26-13-11-23-12-14-26/h1-10,23H,11-15H2,(H,24,25)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>500n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT7 receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 53: 1357-69 (2010)


Article DOI: 10.1021/jm901672k
BindingDB Entry DOI: 10.7270/Q2Z320KQ
More data for this
Ligand-Target Pair