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BDBM50083149 ((S)-1-Phenyl-ethyl)-{1-[3-(5-[1,2,4]triazol-4-yl-1H-indol-3-yl)-propyl]-piperidin-4-yl}-amine::CHEMBL148087

SMILES: C[C@H](NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1

InChI Key: InChIKey=UUCPSPVEDZDFNM-FQEVSTJZSA-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 = 50083149   
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))
BDBM50083149
PNG
(((S)-1-Phenyl-ethyl)-{1-[3-(5-[1,2,4]triazol-4-yl-...)
Show SMILES C[C@H](NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1
Show InChI InChI=1S/C26H32N6/c1-20(21-6-3-2-4-7-21)30-23-11-14-31(15-12-23)13-5-8-22-17-27-26-10-9-24(16-25(22)26)32-18-28-29-19-32/h2-4,6-7,9-10,16-20,23,27,30H,5,8,11-15H2,1H3/t20-/m0/s1
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PubMed
n/an/a 95n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at cloned human 5-hydroxytryptamine 1B receptor stably expressed in CHO cells by [3H]-5-HT displacement.


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))
BDBM50083149
PNG
(((S)-1-Phenyl-ethyl)-{1-[3-(5-[1,2,4]triazol-4-yl-...)
Show SMILES C[C@H](NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1
Show InChI InChI=1S/C26H32N6/c1-20(21-6-3-2-4-7-21)30-23-11-14-31(15-12-23)13-5-8-22-17-27-26-10-9-24(16-25(22)26)32-18-28-29-19-32/h2-4,6-7,9-10,16-20,23,27,30H,5,8,11-15H2,1H3/t20-/m0/s1
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PubMed
n/an/an/an/a 12n/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))
BDBM50083149
PNG
(((S)-1-Phenyl-ethyl)-{1-[3-(5-[1,2,4]triazol-4-yl-...)
Show SMILES C[C@H](NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1
Show InChI InChI=1S/C26H32N6/c1-20(21-6-3-2-4-7-21)30-23-11-14-31(15-12-23)13-5-8-22-17-27-26-10-9-24(16-25(22)26)32-18-28-29-19-32/h2-4,6-7,9-10,16-20,23,27,30H,5,8,11-15H2,1H3/t20-/m0/s1
PDB

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KEGG

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DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 0.600n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at human cloned 5-hydroxytryptamine 1D receptor stably expressed in CHO cells by [3H]-5-HT displacement.


J Med Chem 42: 4981-5001 (2000)


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