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BDBM50074165 3-[2-((S)-2-Benzyloxymethyl-pyrrolidin-1-yl)-ethyl]-5-[1,2,4]triazol-4-yl-1H-indole::CHEMBL348304

SMILES: C(Cc1c[nH]c2ccc(cc12)-n1cnnc1)N1CCC[C@H]1COCc1ccccc1

InChI Key: InChIKey=HKFTVHZSGNUMDA-QFIPXVFZSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50074165   
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))
BDBM50074165
PNG
(3-[2-((S)-2-Benzyloxymethyl-pyrrolidin-1-yl)-ethyl...)
Show SMILES C(Cc1c[nH]c2ccc(cc12)-n1cnnc1)N1CCC[C@H]1COCc1ccccc1
Show InChI InChI=1S/C24H27N5O/c1-2-5-19(6-3-1)15-30-16-22-7-4-11-28(22)12-10-20-14-25-24-9-8-21(13-23(20)24)29-17-26-27-18-29/h1-3,5-6,8-9,13-14,17-18,22,25H,4,7,10-12,15-16H2/t22-/m0/s1
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.810n/an/an/an/an/an/a



Merck, Sharp and Dohme Research Laboratories

Curated by ChEMBL


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


J Med Chem 42: 677-90 (1999)


Article DOI: 10.1021/jm9805687
BindingDB Entry DOI: 10.7270/Q23777W5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (human))
BDBM50074165
PNG
(3-[2-((S)-2-Benzyloxymethyl-pyrrolidin-1-yl)-ethyl...)
Show SMILES C(Cc1c[nH]c2ccc(cc12)-n1cnnc1)N1CCC[C@H]1COCc1ccccc1
Show InChI InChI=1S/C24H27N5O/c1-2-5-19(6-3-1)15-30-16-22-7-4-11-28(22)12-10-20-14-25-24-9-8-21(13-23(20)24)29-17-26-27-18-29/h1-3,5-6,8-9,13-14,17-18,22,25H,4,7,10-12,15-16H2/t22-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.70n/an/an/an/an/an/a



Merck, Sharp and Dohme Research Laboratories

Curated by ChEMBL


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


J Med Chem 42: 677-90 (1999)


Article DOI: 10.1021/jm9805687
BindingDB Entry DOI: 10.7270/Q23777W5
More data for this
Ligand-Target Pair