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BDBM50083118 Benzyl-{1-[3-(5-[1,2,4]triazol-4-yl-1H-indol-3-yl)-propyl]-piperidin-4-ylmethyl}-amine::CHEMBL143893

SMILES: C(CN1CCC(CNCc2ccccc2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1

InChI Key: InChIKey=PSPDVKOFFOIORK-UHFFFAOYSA-N

Data: 2 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50083118   
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 1B


(Homo sapiens (Human))
BDBM50083118
PNG
(Benzyl-{1-[3-(5-[1,2,4]triazol-4-yl-1H-indol-3-yl)...)
Show SMILES C(CN1CCC(CNCc2ccccc2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
Show InChI InChI=1S/C26H32N6/c1-2-5-21(6-3-1)16-27-17-22-10-13-31(14-11-22)12-4-7-23-18-28-26-9-8-24(15-25(23)26)32-19-29-30-20-32/h1-3,5-6,8-9,15,18-20,22,27-28H,4,7,10-14,16-17H2
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PC cid
PC sid
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PubMed
n/an/a 28n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-HT binding to cloned 5-hydroxytryptamine 1B receptor stably expressed in CHO cells


J Med Chem 42: 4981-5001 (2000)


BindingDB Entry DOI: 10.7270/Q20P0Z77
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50083118
PNG
(Benzyl-{1-[3-(5-[1,2,4]triazol-4-yl-1H-indol-3-yl)...)
Show SMILES C(CN1CCC(CNCc2ccccc2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
Show InChI InChI=1S/C26H32N6/c1-2-5-21(6-3-1)16-27-17-22-10-13-31(14-11-22)12-4-7-23-18-28-26-9-8-24(15-25(23)26)32-19-29-30-20-32/h1-3,5-6,8-9,15,18-20,22,27-28H,4,7,10-14,16-17H2
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PubMed
n/an/an/an/a 5.60n/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Agonist-induced [35S]- GTPgammaS binding in CHO cells stably transfected with 5-hydroxytryptamine 1D receptor


J Med Chem 42: 4981-5001 (2000)


BindingDB Entry DOI: 10.7270/Q20P0Z77
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50083118
PNG
(Benzyl-{1-[3-(5-[1,2,4]triazol-4-yl-1H-indol-3-yl)...)
Show SMILES C(CN1CCC(CNCc2ccccc2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
Show InChI InChI=1S/C26H32N6/c1-2-5-21(6-3-1)16-27-17-22-10-13-31(14-11-22)12-4-7-23-18-28-26-9-8-24(15-25(23)26)32-19-29-30-20-32/h1-3,5-6,8-9,15,18-20,22,27-28H,4,7,10-14,16-17H2
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UniProtKB/SwissProt

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antibodypedia
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PC sid
UniChem

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PubMed
n/an/a 1.60n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-HT binding to cloned human 5-hydroxytryptamine 1D receptor stably expressed in CHO cells


J Med Chem 42: 4981-5001 (2000)


BindingDB Entry DOI: 10.7270/Q20P0Z77
More data for this
Ligand-Target Pair