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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1B' and Ligand = 'BDBM50212622'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50212622
PNG
(CHEMBL57187)
Show SMILES CCCN(CCCCNc1ccc([N+]([O-])=O)c2nonc12)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C23H29N5O5/c1-3-12-27(16-14-17-20(31-2)7-6-8-21(17)32-15-16)13-5-4-11-24-18-9-10-19(28(29)30)23-22(18)25-33-26-23/h6-10,16,24H,3-5,11-15H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
n/an/a 0n/an/an/an/an/an/a


TBA

Assay Description
The compound was evaluated for its ability to displace [3H]5-HT from 5-hydroxytryptamine 1B receptor in cellular brain membranes


Citation and Details
More data for this
Ligand-Target Pair