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BDBM50086095 3-{1-[4-Methoxy-3-(4-methyl-piperazin-1-yl)-phenylcarbamoyl]-piperidin-4-yl}-1H-indole-5-carboxylic acid amide::CHEMBL274922

SMILES: COc1ccc(NC(=O)N2CCC(CC2)c2c[nH]c3ccc(cc23)C(N)=O)cc1N1CCN(C)CC1

InChI Key: InChIKey=BWSZPXLKWNGQFZ-UHFFFAOYSA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50086095   
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))
BDBM50086095
PNG
(3-{1-[4-Methoxy-3-(4-methyl-piperazin-1-yl)-phenyl...)
Show SMILES COc1ccc(NC(=O)N2CCC(CC2)c2c[nH]c3ccc(cc23)C(N)=O)cc1N1CCN(C)CC1
Show InChI InChI=1S/C27H34N6O3/c1-31-11-13-32(14-12-31)24-16-20(4-6-25(24)36-2)30-27(35)33-9-7-18(8-10-33)22-17-29-23-5-3-19(26(28)34)15-21(22)23/h3-6,15-18,29H,7-14H2,1-2H3,(H2,28,34)(H,30,35)
KEGG

UniProtKB/SwissProt

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PC sid
UniChem

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Similars

Article
PubMed
n/an/a 17n/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))
BDBM50086095
PNG
(3-{1-[4-Methoxy-3-(4-methyl-piperazin-1-yl)-phenyl...)
Show SMILES COc1ccc(NC(=O)N2CCC(CC2)c2c[nH]c3ccc(cc23)C(N)=O)cc1N1CCN(C)CC1
Show InChI InChI=1S/C27H34N6O3/c1-31-11-13-32(14-12-31)24-16-20(4-6-25(24)36-2)30-27(35)33-9-7-18(8-10-33)22-17-29-23-5-3-19(26(28)34)15-21(22)23/h3-6,15-18,29H,7-14H2,1-2H3,(H2,28,34)(H,30,35)
PDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 113n/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
HTR1D


(RAT)
BDBM50086095
PNG
(3-{1-[4-Methoxy-3-(4-methyl-piperazin-1-yl)-phenyl...)
Show SMILES COc1ccc(NC(=O)N2CCC(CC2)c2c[nH]c3ccc(cc23)C(N)=O)cc1N1CCN(C)CC1
Show InChI InChI=1S/C27H34N6O3/c1-31-11-13-32(14-12-31)24-16-20(4-6-25(24)36-2)30-27(35)33-9-7-18(8-10-33)22-17-29-23-5-3-19(26(28)34)15-21(22)23/h3-6,15-18,29H,7-14H2,1-2H3,(H2,28,34)(H,30,35)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 100n/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