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SMILES: Cn1c(CCCCN2CCN(CC2)c2ccccc2)nc2c3ccccc3sc2c1=O

InChI Key: InChIKey=NJEHVLUSFSVOFK-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50504201   
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
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50504201
PNG
(CHEMBL4437217)
Show SMILES Cn1c(CCCCN2CCN(CC2)c2ccccc2)nc2c3ccccc3sc2c1=O
Show InChI InChI=1S/C25H28N4OS/c1-27-22(26-23-20-11-5-6-12-21(20)31-24(23)25(27)30)13-7-8-14-28-15-17-29(18-16-28)19-9-3-2-4-10-19/h2-6,9-12H,7-8,13-18H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
3.40n/an/an/an/an/an/an/an/a



Universit£ di Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-HT from human 5HT7 receptor expressed in CHO-K1 cells incubated for 40 mins in presence of serotonin by liquid scintillation c...


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111690
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50504201
PNG
(CHEMBL4437217)
Show SMILES Cn1c(CCCCN2CCN(CC2)c2ccccc2)nc2c3ccccc3sc2c1=O
Show InChI InChI=1S/C25H28N4OS/c1-27-22(26-23-20-11-5-6-12-21(20)31-24(23)25(27)30)13-7-8-14-28-15-17-29(18-16-28)19-9-3-2-4-10-19/h2-6,9-12H,7-8,13-18H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
5.20n/an/an/an/an/an/an/an/a



Universit£ di Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in CHO-K1 cells incubated for 60 mins by liquid scintillation counting method


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111690
More data for this
Ligand-Target Pair