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BDBM233046 2-[(2-Pyrrolo[2,3-c]pyridin-1-yl)ethyl]decahydropyrido[1,2-a][1,4]diazepine (7)

SMILES: C(Cn1ccc2ccncc12)N1CCCN2CCCCC2C1

InChI Key: InChIKey=QBZJYIPXWJPIPX-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 233046   
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))
BDBM233046
PNG
(2-[(2-Pyrrolo[2,3-c]pyridin-1-yl)ethyl]decahydropy...)
Show SMILES C(Cn1ccc2ccncc12)N1CCCN2CCCCC2C1
Show InChI InChI=1S/C18H26N4/c1-2-9-21-10-3-8-20(15-17(21)4-1)12-13-22-11-6-16-5-7-19-14-18(16)22/h5-7,11,14,17H,1-4,8-10,12-13,15H2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of Orléans



Assay Description
1H nuclear magnetic resonance (NMR) and 13C NMR spectra were recorded on a Bruker Avance DPX250 spectrometer (250.131 MHz), in CDCl3 and using tetram...


J Enzyme Inhib Med Chem 25: 301-5 (2010)


Article DOI: 10.3109/14756360903179393
BindingDB Entry DOI: 10.7270/Q2B85708
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM233046
PNG
(2-[(2-Pyrrolo[2,3-c]pyridin-1-yl)ethyl]decahydropy...)
Show SMILES C(Cn1ccc2ccncc12)N1CCCN2CCCCC2C1
Show InChI InChI=1S/C18H26N4/c1-2-9-21-10-3-8-20(15-17(21)4-1)12-13-22-11-6-16-5-7-19-14-18(16)22/h5-7,11,14,17H,1-4,8-10,12-13,15H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of Orléans



Assay Description
1H nuclear magnetic resonance (NMR) and 13C NMR spectra were recorded on a Bruker Avance DPX250 spectrometer (250.131 MHz), in CDCl3 and using tetram...


J Enzyme Inhib Med Chem 25: 301-5 (2010)


Article DOI: 10.3109/14756360903179393
BindingDB Entry DOI: 10.7270/Q2B85708
More data for this
Ligand-Target Pair