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BDBM50086115 5-[4-(5-fluoro-1H-3-indolyl)hexahydro-1-pyridinylcarboxamido]-1'-methylspiro[2,3-dihydrobenzo[b]furan-3,4'-(hexahydropyridine)]::CHEMBL276928

SMILES: CN1CCC2(COc3ccc(NC(=O)N4CCC(CC4)c4c[nH]c5ccc(F)cc45)cc23)CC1

InChI Key: InChIKey=HIBNGDNAJQHLGU-UHFFFAOYSA-N

Data: 3 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50086115   
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))
BDBM50086115
PNG
(5-[4-(5-fluoro-1H-3-indolyl)hexahydro-1-pyridinylc...)
Show SMILES CN1CCC2(COc3ccc(NC(=O)N4CCC(CC4)c4c[nH]c5ccc(F)cc45)cc23)CC1
Show InChI InChI=1S/C27H31FN4O2/c1-31-12-8-27(9-13-31)17-34-25-5-3-20(15-23(25)27)30-26(33)32-10-6-18(7-11-32)22-16-29-24-4-2-19(28)14-21(22)24/h2-5,14-16,18,29H,6-13,17H2,1H3,(H,30,33)
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>200n/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)
BDBM50086115
PNG
(5-[4-(5-fluoro-1H-3-indolyl)hexahydro-1-pyridinylc...)
Show SMILES CN1CCC2(COc3ccc(NC(=O)N4CCC(CC4)c4c[nH]c5ccc(F)cc45)cc23)CC1
Show InChI InChI=1S/C27H31FN4O2/c1-31-12-8-27(9-13-31)17-34-25-5-3-20(15-23(25)27)30-26(33)32-10-6-18(7-11-32)22-16-29-24-4-2-19(28)14-21(22)24/h2-5,14-16,18,29H,6-13,17H2,1H3,(H,30,33)
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PC sid
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Article
PubMed
n/an/a 900n/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))
BDBM50086115
PNG
(5-[4-(5-fluoro-1H-3-indolyl)hexahydro-1-pyridinylc...)
Show SMILES CN1CCC2(COc3ccc(NC(=O)N4CCC(CC4)c4c[nH]c5ccc(F)cc45)cc23)CC1
Show InChI InChI=1S/C27H31FN4O2/c1-31-12-8-27(9-13-31)17-34-25-5-3-20(15-23(25)27)30-26(33)32-10-6-18(7-11-32)22-16-29-24-4-2-19(28)14-21(22)24/h2-5,14-16,18,29H,6-13,17H2,1H3,(H,30,33)
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 23n/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