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SMILES: CC(=O)c1cccc(\C=C\C(=O)NCCCCN2CCc3ccc(OS(=O)(=O)C(F)(F)F)cc3C2)c1

InChI Key: InChIKey=NUWDDLFERGKQRG-JXMROGBWSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50217161   
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
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50217161
PNG
(CHEMBL52135)
Show SMILES CC(=O)c1cccc(\C=C\C(=O)NCCCCN2CCc3ccc(OS(=O)(=O)C(F)(F)F)cc3C2)c1
Show InChI InChI=1S/C25H27F3N2O5S/c1-18(31)21-6-4-5-19(15-21)7-10-24(32)29-12-2-3-13-30-14-11-20-8-9-23(16-22(20)17-30)35-36(33,34)25(26,27)28/h4-10,15-16H,2-3,11-14,17H2,1H3,(H,29,32)/b10-7+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
4n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]iodosulpiride from human Dopamine receptor D3 expressed in CHO cells


Bioorg Med Chem Lett 9: 179-84 (1999)


BindingDB Entry DOI: 10.7270/Q2057J4D
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50217161
PNG
(CHEMBL52135)
Show SMILES CC(=O)c1cccc(\C=C\C(=O)NCCCCN2CCc3ccc(OS(=O)(=O)C(F)(F)F)cc3C2)c1
Show InChI InChI=1S/C25H27F3N2O5S/c1-18(31)21-6-4-5-19(15-21)7-10-24(32)29-12-2-3-13-30-14-11-20-8-9-23(16-22(20)17-30)35-36(33,34)25(26,27)28/h4-10,15-16H,2-3,11-14,17H2,1H3,(H,29,32)/b10-7+
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
398n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement [125I]iodosulpiride from human Dopamine receptor D2 expressed in CHO cells


Bioorg Med Chem Lett 9: 179-84 (1999)


BindingDB Entry DOI: 10.7270/Q2057J4D
More data for this
Ligand-Target Pair