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BDBM50007511 (R) 3-Chloro-5-ethyl-N-[1-(4-fluoro-benzyl)-pyrrolidin-2-ylmethyl]-6-hydroxy-2-methoxy-benzamide::CHEMBL172092

SMILES: CCc1cc(Cl)c(OC)c(C(=O)NC[C@H]2CCCN2Cc2ccc(F)cc2)c1O

InChI Key: InChIKey=JPUBWQACEPBVIP-QGZVFWFLSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50007511   
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
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50007511
PNG
((R) 3-Chloro-5-ethyl-N-[1-(4-fluoro-benzyl)-pyrrol...)
Show SMILES CCc1cc(Cl)c(OC)c(C(=O)NC[C@H]2CCCN2Cc2ccc(F)cc2)c1O
Show InChI InChI=1S/C22H26ClFN2O3/c1-3-15-11-18(23)21(29-2)19(20(15)27)22(28)25-12-17-5-4-10-26(17)13-14-6-8-16(24)9-7-14/h6-9,11,17,27H,3-5,10,12-13H2,1-2H3,(H,25,28)/t17-/m1/s1
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PC sid
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Similars

Article
PubMed
n/an/a 29n/an/an/an/an/an/a



Astra Research Centre AB

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to rat striatal dopamine receptor D2 was determined in vitro


J Med Chem 34: 948-55 (1991)


Article DOI: 10.1021/jm00107a012
BindingDB Entry DOI: 10.7270/Q2GT5NS9
More data for this
Ligand-Target Pair