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BDBM50074205 CHEMBL161176::N-(3-{4-[3-(5-[1,2,4]Triazol-4-yl-1H-indol-3-yl)-propyl]-piperazin-1-ylmethyl}-phenyl)-acetamide

SMILES: CC(=O)Nc1cccc(CN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)c1

InChI Key: InChIKey=QIBWPYMXHPTSNJ-UHFFFAOYSA-N

Data: 2 IC50  1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50074205   
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))
BDBM50074205
PNG
(CHEMBL161176 | N-(3-{4-[3-(5-[1,2,4]Triazol-4-yl-1...)
Show SMILES CC(=O)Nc1cccc(CN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)c1
Show InChI InChI=1S/C26H31N7O/c1-20(34)30-23-6-2-4-21(14-23)17-32-12-10-31(11-13-32)9-3-5-22-16-27-26-8-7-24(15-25(22)26)33-18-28-29-19-33/h2,4,6-8,14-16,18-19,27H,3,5,9-13,17H2,1H3,(H,30,34)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 0.200n/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 1D


(Homo sapiens (human))
BDBM50074205
PNG
(CHEMBL161176 | N-(3-{4-[3-(5-[1,2,4]Triazol-4-yl-1...)
Show SMILES CC(=O)Nc1cccc(CN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)c1
Show InChI InChI=1S/C26H31N7O/c1-20(34)30-23-6-2-4-21(14-23)17-32-12-10-31(11-13-32)9-3-5-22-16-27-26-8-7-24(15-25(22)26)33-18-28-29-19-33/h2,4,6-8,14-16,18-19,27H,3,5,9-13,17H2,1H3,(H,30,34)
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.200n/an/an/an/a



Merck, Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Stimulation of [35S]-GTP-gammaS, binding in CHO cells expressing the human 5-hydroxytryptamine 1D receptor.


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))
BDBM50074205
PNG
(CHEMBL161176 | N-(3-{4-[3-(5-[1,2,4]Triazol-4-yl-1...)
Show SMILES CC(=O)Nc1cccc(CN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)c1
Show InChI InChI=1S/C26H31N7O/c1-20(34)30-23-6-2-4-21(14-23)17-32-12-10-31(11-13-32)9-3-5-22-16-27-26-8-7-24(15-25(22)26)33-18-28-29-19-33/h2,4,6-8,14-16,18-19,27H,3,5,9-13,17H2,1H3,(H,30,34)
PDB

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UniProtKB/SwissProt

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GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.40n/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