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Compile Data Set for Download or QSAR

Found 3 hits of ki for monomerid = 50130471   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-hydroxytryptamine receptor 1F


(Homo sapiens (Human))
BDBM50130471
PNG
(1-Methyl-3-[3-(1-methyl-piperidin-4-yl)-1H-pyrrolo...)
Show SMILES CNC(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1
Show InChI InChI=1S/C15H21N5O/c1-16-15(21)19-13-4-3-12-14(18-13)11(9-17-12)10-5-7-20(2)8-6-10/h3-4,9-10,17H,5-8H2,1-2H3,(H2,16,18,19,21)
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Article
PubMed
2.5n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity was determined by radioligand binding assay using cell line expressing human 5-hydroxytryptamine 1F receptor


J Med Chem 46: 3060-71 (2003)


Article DOI: 10.1021/jm030020m
BindingDB Entry DOI: 10.7270/Q21V5DCB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50130471
PNG
(1-Methyl-3-[3-(1-methyl-piperidin-4-yl)-1H-pyrrolo...)
Show SMILES CNC(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1
Show InChI InChI=1S/C15H21N5O/c1-16-15(21)19-13-4-3-12-14(18-13)11(9-17-12)10-5-7-20(2)8-6-10/h3-4,9-10,17H,5-8H2,1-2H3,(H2,16,18,19,21)
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Article
PubMed
8.5n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound was determined by radioligand binding assay using cell line expressing human 5-hydroxytryptamine 1D recepto...


J Med Chem 46: 3060-71 (2003)


Article DOI: 10.1021/jm030020m
BindingDB Entry DOI: 10.7270/Q21V5DCB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50130471
PNG
(1-Methyl-3-[3-(1-methyl-piperidin-4-yl)-1H-pyrrolo...)
Show SMILES CNC(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1
Show InChI InChI=1S/C15H21N5O/c1-16-15(21)19-13-4-3-12-14(18-13)11(9-17-12)10-5-7-20(2)8-6-10/h3-4,9-10,17H,5-8H2,1-2H3,(H2,16,18,19,21)
PDB

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Article
PubMed
14n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound was determined by radioligand binding assay using cell line expressing human 5-hydroxytryptamine 1B recepto...


J Med Chem 46: 3060-71 (2003)


Article DOI: 10.1021/jm030020m
BindingDB Entry DOI: 10.7270/Q21V5DCB
More data for this
Ligand-Target Pair