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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with all data for entry = 50001615   
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
D(2) dopamine receptor


(Mus musculus (Mouse))
BDBM50016778
PNG
(1-Ethyl-2-[(2-methoxy-5-sulfamoyl-benzoylamino)-me...)
Show SMILES CC[S+]1CCCC1CNC(=O)c1cc(ccc1OC)S(N)(=O)=O
Show InChI InChI=1S/C15H22N2O4S2/c1-3-22-8-4-5-11(22)10-17-15(18)13-9-12(23(16,19)20)6-7-14(13)21-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H2-,16,17,18,19,20)/p+1
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PC cid
PC sid
UniChem
PubMed
5.20n/an/an/an/an/an/an/an/a



Ohio State University

Curated by ChEMBL


Assay Description
Compound was tested for its ability to displace [3H]- spiperone from D2 binding site in rat striatal membranes


J Med Chem 32: 874-80 (1989)


BindingDB Entry DOI: 10.7270/Q23B5Z48
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM11638
PNG
(CHEMBL26 | Compound 7 | N-[(1-ethylpyrrolidin-2-yl...)
Show SMILES CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(N)(=O)=O
Show InChI InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)
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KEGG

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MCE
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PC sid
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PubMed
5.5n/an/an/an/an/an/an/an/a



Ohio State University

Curated by ChEMBL


Assay Description
Compound was tested for its ability to displace [3H]- spiperone from Dopamine receptor D2 in rat striatal membranes


J Med Chem 32: 874-80 (1989)


BindingDB Entry DOI: 10.7270/Q23B5Z48
More data for this
Ligand-Target Pair