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BDBM50081108 4-(2-Benzylamino-ethoxy)-1,3-dihydro-benzoimidazole-2-thione::CHEMBL327782

SMILES: S=c1[nH]c2cccc(OCCNCc3ccccc3)c2[nH]1

InChI Key: InChIKey=IMYFITBNCNWHTL-UHFFFAOYSA-N

Data: 5 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50081108   
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(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50081108
PNG
(4-(2-Benzylamino-ethoxy)-1,3-dihydro-benzoimidazol...)
Show SMILES S=c1[nH]c2cccc(OCCNCc3ccccc3)c2[nH]1
Show InChI InChI=1S/C16H17N3OS/c21-16-18-13-7-4-8-14(15(13)19-16)20-10-9-17-11-12-5-2-1-3-6-12/h1-8,17H,9-11H2,(H2,18,19,21)
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PubMed
0.180n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-quinpirole binding to rat striatal membrane Dopamine receptor D2 without GTP and sodium


Bioorg Med Chem Lett 9: 2593-8 (1999)


BindingDB Entry DOI: 10.7270/Q22V2FBG
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50081108
PNG
(4-(2-Benzylamino-ethoxy)-1,3-dihydro-benzoimidazol...)
Show SMILES S=c1[nH]c2cccc(OCCNCc3ccccc3)c2[nH]1
Show InChI InChI=1S/C16H17N3OS/c21-16-18-13-7-4-8-14(15(13)19-16)20-10-9-17-11-12-5-2-1-3-6-12/h1-8,17H,9-11H2,(H2,18,19,21)
PDB

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antibodypedia
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PC sid
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PubMed
2n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-spiperone binding to human Dopamine receptor D3 in CHO cell membranes


Bioorg Med Chem Lett 9: 2593-8 (1999)


BindingDB Entry DOI: 10.7270/Q22V2FBG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50081108
PNG
(4-(2-Benzylamino-ethoxy)-1,3-dihydro-benzoimidazol...)
Show SMILES S=c1[nH]c2cccc(OCCNCc3ccccc3)c2[nH]1
Show InChI InChI=1S/C16H17N3OS/c21-16-18-13-7-4-8-14(15(13)19-16)20-10-9-17-11-12-5-2-1-3-6-12/h1-8,17H,9-11H2,(H2,18,19,21)
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PubMed
2.60n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-quinpirole binding to rat striatal membrane Dopamine receptor D2 without GTP and sodium


Bioorg Med Chem Lett 9: 2593-8 (1999)


BindingDB Entry DOI: 10.7270/Q22V2FBG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50081108
PNG
(4-(2-Benzylamino-ethoxy)-1,3-dihydro-benzoimidazol...)
Show SMILES S=c1[nH]c2cccc(OCCNCc3ccccc3)c2[nH]1
Show InChI InChI=1S/C16H17N3OS/c21-16-18-13-7-4-8-14(15(13)19-16)20-10-9-17-11-12-5-2-1-3-6-12/h1-8,17H,9-11H2,(H2,18,19,21)
PDB

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UniProtKB/TrEMBL

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PubMed
3n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Inihibition of [3H]-spiperone binding to human Dopamine receptor D2 in CHO cell membranes


Bioorg Med Chem Lett 9: 2593-8 (1999)


BindingDB Entry DOI: 10.7270/Q22V2FBG
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50081108
PNG
(4-(2-Benzylamino-ethoxy)-1,3-dihydro-benzoimidazol...)
Show SMILES S=c1[nH]c2cccc(OCCNCc3ccccc3)c2[nH]1
Show InChI InChI=1S/C16H17N3OS/c21-16-18-13-7-4-8-14(15(13)19-16)20-10-9-17-11-12-5-2-1-3-6-12/h1-8,17H,9-11H2,(H2,18,19,21)
Reactome pathway
KEGG

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antibodypedia
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UniChem

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Similars

PubMed
3.80n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-spiperone binding to human Dopamine receptor D4.4 expressed in CHO cell membranes


Bioorg Med Chem Lett 9: 2593-8 (1999)


BindingDB Entry DOI: 10.7270/Q22V2FBG
More data for this
Ligand-Target Pair