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BDBM50083153 2-Phenyl-1'-[3-(5-[1,2,4]triazol-4-yl-1H-indol-3-yl)-propyl]-[1,4']bipiperidinyl::CHEMBL147838

SMILES: C(CN1CCC(CC1)N1CCCCC1c1ccccc1)Cc1c[nH]c2ccc(cc12)-n1cnnc1

InChI Key: InChIKey=WGWBIIDCWJHIOA-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
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50083153   
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 1D


(Homo sapiens (Human))
BDBM50083153
PNG
(2-Phenyl-1'-[3-(5-[1,2,4]triazol-4-yl-1H-indol-3-y...)
Show SMILES C(CN1CCC(CC1)N1CCCCC1c1ccccc1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
Show InChI InChI=1S/C29H36N6/c1-2-7-23(8-3-1)29-10-4-5-16-35(29)25-13-17-33(18-14-25)15-6-9-24-20-30-28-12-11-26(19-27(24)28)34-21-31-32-22-34/h1-3,7-8,11-12,19-22,25,29-30H,4-6,9-10,13-18H2
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PubMed
n/an/a 1.90n/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
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50083153
PNG
(2-Phenyl-1'-[3-(5-[1,2,4]triazol-4-yl-1H-indol-3-y...)
Show SMILES C(CN1CCC(CC1)N1CCCCC1c1ccccc1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
Show InChI InChI=1S/C29H36N6/c1-2-7-23(8-3-1)29-10-4-5-16-35(29)25-13-17-33(18-14-25)15-6-9-24-20-30-28-12-11-26(19-27(24)28)34-21-31-32-22-34/h1-3,7-8,11-12,19-22,25,29-30H,4-6,9-10,13-18H2
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UniChem

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PubMed
n/an/a 410n/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))
BDBM50083153
PNG
(2-Phenyl-1'-[3-(5-[1,2,4]triazol-4-yl-1H-indol-3-y...)
Show SMILES C(CN1CCC(CC1)N1CCCCC1c1ccccc1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
Show InChI InChI=1S/C29H36N6/c1-2-7-23(8-3-1)29-10-4-5-16-35(29)25-13-17-33(18-14-25)15-6-9-24-20-30-28-12-11-26(19-27(24)28)34-21-31-32-22-34/h1-3,7-8,11-12,19-22,25,29-30H,4-6,9-10,13-18H2
PDB

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CHEMBL
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PC sid
UniChem

Patents


Similars

PubMed
n/an/an/an/a 4.70n/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