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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor' and Ligand = 'BDBM50284586'   
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
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50284586
PNG
(CHEMBL22857 | N-((S)-1-Butyl-pyrrolidin-2-ylmethyl...)
Show SMILES CCCCN1CCC[C@H]1CNC(=O)c1cc(ccc1OC)S(N)(=O)=O
Show InChI InChI=1S/C17H27N3O4S/c1-3-4-9-20-10-5-6-13(20)12-19-17(21)15-11-14(25(18,22)23)7-8-16(15)24-2/h7-8,11,13H,3-6,9-10,12H2,1-2H3,(H,19,21)(H2,18,22,23)/t13-/m0/s1
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
51n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]-spiperone from D2 dopamine receptor isolated from the striata of male Wistar rats


Bioorg Med Chem Lett 5: 1245-1250 (1995)


Article DOI: 10.1016/0960-894X(95)00197-2
BindingDB Entry DOI: 10.7270/Q2WH2PX0
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50284586
PNG
(CHEMBL22857 | N-((S)-1-Butyl-pyrrolidin-2-ylmethyl...)
Show SMILES CCCCN1CCC[C@H]1CNC(=O)c1cc(ccc1OC)S(N)(=O)=O
Show InChI InChI=1S/C17H27N3O4S/c1-3-4-9-20-10-5-6-13(20)12-19-17(21)15-11-14(25(18,22)23)7-8-16(15)24-2/h7-8,11,13H,3-6,9-10,12H2,1-2H3,(H,19,21)(H2,18,22,23)/t13-/m0/s1
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KEGG

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
51n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine receptor D2 using as [3H]-spiperone radioligand.


J Med Chem 34: 261-7 (1991)


Article DOI: 10.1021/jm00105a041
BindingDB Entry DOI: 10.7270/Q2W959SQ
More data for this
Ligand-Target Pair