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BDBM50086112 4-(6-Fluoro-1H-indol-3-yl)-piperidine-1-carboxylic acid [4-methoxy-3-(4-methyl-piperazin-1-yl)-phenyl]-amide::CHEMBL278917

SMILES: COc1ccc(NC(=O)N2CCC(CC2)c2c[nH]c3cc(F)ccc23)cc1N1CCN(C)CC1

InChI Key: InChIKey=HTPUNSOMSVSTME-UHFFFAOYSA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50086112   
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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50086112
PNG
(4-(6-Fluoro-1H-indol-3-yl)-piperidine-1-carboxylic...)
Show SMILES COc1ccc(NC(=O)N2CCC(CC2)c2c[nH]c3cc(F)ccc23)cc1N1CCN(C)CC1
Show InChI InChI=1S/C26H32FN5O2/c1-30-11-13-31(14-12-30)24-16-20(4-6-25(24)34-2)29-26(33)32-9-7-18(8-10-32)22-17-28-23-15-19(27)3-5-21(22)23/h3-6,15-18,28H,7-14H2,1-2H3,(H,29,33)
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Article
PubMed
n/an/a 667n/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
HTR1D


(RAT)
BDBM50086112
PNG
(4-(6-Fluoro-1H-indol-3-yl)-piperidine-1-carboxylic...)
Show SMILES COc1ccc(NC(=O)N2CCC(CC2)c2c[nH]c3cc(F)ccc23)cc1N1CCN(C)CC1
Show InChI InChI=1S/C26H32FN5O2/c1-30-11-13-31(14-12-30)24-16-20(4-6-25(24)34-2)29-26(33)32-9-7-18(8-10-32)22-17-28-23-15-19(27)3-5-21(22)23/h3-6,15-18,28H,7-14H2,1-2H3,(H,29,33)
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UniChem

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Article
PubMed
n/an/a 200n/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 1B/1D receptor


(Rattus norvegicus (Rat))
BDBM50086112
PNG
(4-(6-Fluoro-1H-indol-3-yl)-piperidine-1-carboxylic...)
Show SMILES COc1ccc(NC(=O)N2CCC(CC2)c2c[nH]c3cc(F)ccc23)cc1N1CCN(C)CC1
Show InChI InChI=1S/C26H32FN5O2/c1-30-11-13-31(14-12-30)24-16-20(4-6-25(24)34-2)29-26(33)32-9-7-18(8-10-32)22-17-28-23-15-19(27)3-5-21(22)23/h3-6,15-18,28H,7-14H2,1-2H3,(H,29,33)
PDB

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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 80n/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