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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Serotonin (5-HT) receptor' and Ligand = 'BDBM50034285'   
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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50034285
PNG
(1H-Pyrrole-2-carboxylic acid {2-[4-(2-methoxy-phen...)
Show SMILES COc1ccccc1N1CCN(CCNC(=O)c2ccc[nH]2)CC1
Show InChI InChI=1S/C18H24N4O2/c1-24-17-7-3-2-6-16(17)22-13-11-21(12-14-22)10-9-20-18(23)15-5-4-8-19-15/h2-8,19H,9-14H2,1H3,(H,20,23)
KEGG

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
16n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by determining in vitro displacement of [3H]-8-OH-DPAT from the central 5-hydroxytryptamine 1A receptor recognition si...


J Med Chem 40: 300-12 (1997)


Article DOI: 10.1021/jm960496o
BindingDB Entry DOI: 10.7270/Q27W6B96
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50034285
PNG
(1H-Pyrrole-2-carboxylic acid {2-[4-(2-methoxy-phen...)
Show SMILES COc1ccccc1N1CCN(CCNC(=O)c2ccc[nH]2)CC1
Show InChI InChI=1S/C18H24N4O2/c1-24-17-7-3-2-6-16(17)22-13-11-21(12-14-22)10-9-20-18(23)15-5-4-8-19-15/h2-8,19H,9-14H2,1H3,(H,20,23)
KEGG

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
20.3n/an/an/an/an/an/an/an/a



FAES, S.A.

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor sites of rat brain cortex.


J Med Chem 38: 1273-7 (1995)


Article DOI: 10.1021/jm00008a005
BindingDB Entry DOI: 10.7270/Q2H9947K
More data for this
Ligand-Target Pair