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BDBM50000022 CHEMBL57219

SMILES: CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)C1CCc2c(C1)cccc2OS(=O)(=O)C(F)(F)F

InChI Key: InChIKey=ASINOPIKMGWLQS-UHFFFAOYSA-N

Data: 4 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50000022   
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 receptor


(Homo sapiens (Human))
BDBM50000022
PNG
(CHEMBL57219)
Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)C1CCc2c(C1)cccc2OS(=O)(=O)C(F)(F)F
Show InChI InChI=1S/C31H35F3N2O4S/c1-2-20-36(27-17-18-28-26(22-27)11-8-12-29(28)40-41(38,39)31(32,33)34)21-7-6-19-35-30(37)25-15-13-24(14-16-25)23-9-4-3-5-10-23/h3-5,8-16,27H,2,6-7,17-22H2,1H3,(H,35,37)
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Similars

Article
1.60n/an/an/an/an/an/an/an/a


TBA

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


Citation and Details
Checked by Author
Article DOI: 10.1016/S0960-894X(97)00350-8
BindingDB Entry DOI: 10.7270/Q2R49S9S
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50000022
PNG
(CHEMBL57219)
Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)C1CCc2c(C1)cccc2OS(=O)(=O)C(F)(F)F
Show InChI InChI=1S/C31H35F3N2O4S/c1-2-20-36(27-17-18-28-26(22-27)11-8-12-29(28)40-41(38,39)31(32,33)34)21-7-6-19-35-30(37)25-15-13-24(14-16-25)23-9-4-3-5-10-23/h3-5,8-16,27H,2,6-7,17-22H2,1H3,(H,35,37)
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PC sid
UniChem

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Article
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)


Article DOI: 10.1016/s0960-894x(98)00699-4
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50000022
PNG
(CHEMBL57219)
Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)C1CCc2c(C1)cccc2OS(=O)(=O)C(F)(F)F
Show InChI InChI=1S/C31H35F3N2O4S/c1-2-20-36(27-17-18-28-26(22-27)11-8-12-29(28)40-41(38,39)31(32,33)34)21-7-6-19-35-30(37)25-15-13-24(14-16-25)23-9-4-3-5-10-23/h3-5,8-16,27H,2,6-7,17-22H2,1H3,(H,35,37)
Reactome pathway
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UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.60n/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)


Article DOI: 10.1016/s0960-894x(98)00699-4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50000022
PNG
(CHEMBL57219)
Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)C1CCc2c(C1)cccc2OS(=O)(=O)C(F)(F)F
Show InChI InChI=1S/C31H35F3N2O4S/c1-2-20-36(27-17-18-28-26(22-27)11-8-12-29(28)40-41(38,39)31(32,33)34)21-7-6-19-35-30(37)25-15-13-24(14-16-25)23-9-4-3-5-10-23/h3-5,8-16,27H,2,6-7,17-22H2,1H3,(H,35,37)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
398n/an/an/an/an/an/an/an/a


TBA

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


Citation and Details
Checked by Author
Article DOI: 10.1016/S0960-894X(97)00350-8
BindingDB Entry DOI: 10.7270/Q2R49S9S
More data for this
Ligand-Target Pair