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BDBM50130432 4-Cyano-N-[3-(1-methyl-piperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-benzamide::CHEMBL104484

SMILES: CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccc(cc3)C#N)nc12

InChI Key: InChIKey=CDOSRLXPFHPFFJ-UHFFFAOYSA-N

Data: 4 KI

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50130432   
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


(Homo sapiens (Human))
BDBM50130432
PNG
(4-Cyano-N-[3-(1-methyl-piperidin-4-yl)-1H-pyrrolo[...)
Show SMILES CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccc(cc3)C#N)nc12
Show InChI InChI=1S/C21H21N5O/c1-26-10-8-15(9-11-26)17-13-23-18-6-7-19(24-20(17)18)25-21(27)16-4-2-14(12-22)3-5-16/h2-7,13,15,23H,8-11H2,1H3,(H,24,25,27)
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Article
PubMed
7.20n/an/an/an/an/an/an/an/a



Eli Lilly and Company

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 1A


(Homo sapiens (Human))
BDBM50130432
PNG
(4-Cyano-N-[3-(1-methyl-piperidin-4-yl)-1H-pyrrolo[...)
Show SMILES CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccc(cc3)C#N)nc12
Show InChI InChI=1S/C21H21N5O/c1-26-10-8-15(9-11-26)17-13-23-18-6-7-19(24-20(17)18)25-21(27)16-4-2-14(12-22)3-5-16/h2-7,13,15,23H,8-11H2,1H3,(H,24,25,27)
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


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Article
PubMed
31n/an/an/an/an/an/an/an/a



Eli Lilly and Company

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 1A 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))
BDBM50130432
PNG
(4-Cyano-N-[3-(1-methyl-piperidin-4-yl)-1H-pyrrolo[...)
Show SMILES CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccc(cc3)C#N)nc12
Show InChI InChI=1S/C21H21N5O/c1-26-10-8-15(9-11-26)17-13-23-18-6-7-19(24-20(17)18)25-21(27)16-4-2-14(12-22)3-5-16/h2-7,13,15,23H,8-11H2,1H3,(H,24,25,27)
PDB

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PC sid
UniChem

Patents


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Article
PubMed
310n/an/an/an/an/an/an/an/a



Eli Lilly and Company

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
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50130432
PNG
(4-Cyano-N-[3-(1-methyl-piperidin-4-yl)-1H-pyrrolo[...)
Show SMILES CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccc(cc3)C#N)nc12
Show InChI InChI=1S/C21H21N5O/c1-26-10-8-15(9-11-26)17-13-23-18-6-7-19(24-20(17)18)25-21(27)16-4-2-14(12-22)3-5-16/h2-7,13,15,23H,8-11H2,1H3,(H,24,25,27)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
380n/an/an/an/an/an/an/an/a



Eli Lilly and Company

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