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1 similar compounds to monomer 50086106

Compile data set for download or QSAR
Wt: 454.5
BDBM50086113

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50086113   
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
HTR1D


(RAT)
BDBM50086113
PNG
(4-(5-Fluoro-1H-indol-3-yl)-piperidine-1-carboxylic...)
Show SMILES COc1ccc(NC(=O)N2CCC(CC2)c2c[nH]c3ccc(F)cc23)cc1OCCN(C)C
Show InChI InChI=1S/C25H31FN4O3/c1-29(2)12-13-33-24-15-19(5-7-23(24)32-3)28-25(31)30-10-8-17(9-11-30)21-16-27-22-6-4-18(26)14-20(21)22/h4-7,14-17,27H,8-13H2,1-3H3,(H,28,31)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1D receptor in rat frontal cortex using [125I]-iodocyanopindolol as radio-ligand.


J Med Chem 43: 1149-57 (2000)


Article DOI: 10.1021/jm9811054
BindingDB Entry DOI: 10.7270/Q2VD6XPX
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50086113
PNG
(4-(5-Fluoro-1H-indol-3-yl)-piperidine-1-carboxylic...)
Show SMILES COc1ccc(NC(=O)N2CCC(CC2)c2c[nH]c3ccc(F)cc23)cc1OCCN(C)C
Show InChI InChI=1S/C25H31FN4O3/c1-29(2)12-13-33-24-15-19(5-7-23(24)32-3)28-25(31)30-10-8-17(9-11-30)21-16-27-22-6-4-18(26)14-20(21)22/h4-7,14-17,27H,8-13H2,1-3H3,(H,28,31)
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>500n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor in rat frontal cortex using [125I]-iodocyanopindolol as radio-ligand.


J Med Chem 43: 1149-57 (2000)


Article DOI: 10.1021/jm9811054
BindingDB Entry DOI: 10.7270/Q2VD6XPX
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))
BDBM50086113
PNG
(4-(5-Fluoro-1H-indol-3-yl)-piperidine-1-carboxylic...)
Show SMILES COc1ccc(NC(=O)N2CCC(CC2)c2c[nH]c3ccc(F)cc23)cc1OCCN(C)C
Show InChI InChI=1S/C25H31FN4O3/c1-29(2)12-13-33-24-15-19(5-7-23(24)32-3)28-25(31)30-10-8-17(9-11-30)21-16-27-22-6-4-18(26)14-20(21)22/h4-7,14-17,27H,8-13H2,1-3H3,(H,28,31)
PDB

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 633n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1B receptor in rat frontal cortex using [125I]-iodocyanopindolol as radio-ligand.


J Med Chem 43: 1149-57 (2000)


Article DOI: 10.1021/jm9811054
BindingDB Entry DOI: 10.7270/Q2VD6XPX
More data for this
Ligand-Target Pair