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BDBM50074195 3-(3-Morpholin-4-yl-propyl)-5-[1,2,4]triazol-4-yl-1H-indole::CHEMBL162930

SMILES: C(CN1CCOCC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1

InChI Key: InChIKey=KUHRWWPWIOEZCW-UHFFFAOYSA-N

Data: 2 IC50

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

Found 2 hits for monomerid = 50074195   
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))
BDBM50074195
PNG
(3-(3-Morpholin-4-yl-propyl)-5-[1,2,4]triazol-4-yl-...)
Show SMILES C(CN1CCOCC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
Show InChI InChI=1S/C17H21N5O/c1(5-21-6-8-23-9-7-21)2-14-11-18-17-4-3-15(10-16(14)17)22-12-19-20-13-22/h3-4,10-13,18H,1-2,5-9H2
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 8.80n/an/an/an/an/an/a



Merck, Sharp and Dohme Research Laboratories

Curated by ChEMBL


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


J Med Chem 42: 691-705 (1999)


Article DOI: 10.1021/jm980569z
BindingDB Entry DOI: 10.7270/Q2ZG6RDW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (human))
BDBM50074195
PNG
(3-(3-Morpholin-4-yl-propyl)-5-[1,2,4]triazol-4-yl-...)
Show SMILES C(CN1CCOCC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
Show InChI InChI=1S/C17H21N5O/c1(5-21-6-8-23-9-7-21)2-14-11-18-17-4-3-15(10-16(14)17)22-12-19-20-13-22/h3-4,10-13,18H,1-2,5-9H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.40n/an/an/an/an/an/a



Merck, Sharp and Dohme Research Laboratories

Curated by ChEMBL


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


J Med Chem 42: 691-705 (1999)


Article DOI: 10.1021/jm980569z
BindingDB Entry DOI: 10.7270/Q2ZG6RDW
More data for this
Ligand-Target Pair