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BDBM50149711 5-Iodo-thiophene-2-carboxylic acid {4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-amide::CHEMBL182652

SMILES: COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(I)s2)CC1

InChI Key: InChIKey=HBYKTDPONPUZPO-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50149711   
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
D2-like dopamine receptor


(Homo sapiens (Human))
BDBM50149711
PNG
(5-Iodo-thiophene-2-carboxylic acid {4-[4-(2-methox...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(I)s2)CC1
Show InChI InChI=1S/C20H26IN3O2S/c1-26-17-7-3-2-6-16(17)24-14-12-23(13-15-24)11-5-4-10-22-20(25)18-8-9-19(21)27-18/h2-3,6-9H,4-5,10-15H2,1H3,(H,22,25)
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.40n/an/an/an/an/an/an/an/a



University of Erlangen-Nuremberg

Curated by ChEMBL


Assay Description
Binding affinity towards human D3 receptor using [3H]-spiperone expressed in CHO cells


Bioorg Med Chem Lett 14: 3963-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.052
BindingDB Entry DOI: 10.7270/Q2B27TQD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50149711
PNG
(5-Iodo-thiophene-2-carboxylic acid {4-[4-(2-methox...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(I)s2)CC1
Show InChI InChI=1S/C20H26IN3O2S/c1-26-17-7-3-2-6-16(17)24-14-12-23(13-15-24)11-5-4-10-22-20(25)18-8-9-19(21)27-18/h2-3,6-9H,4-5,10-15H2,1H3,(H,22,25)
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
10n/an/an/an/an/an/an/an/a



University of Erlangen-Nuremberg

Curated by ChEMBL


Assay Description
Binding affinity towards 5-HT1A receptor from porcine cortical membranes using [3H]-8-OH-DPAT


Bioorg Med Chem Lett 14: 3963-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.052
BindingDB Entry DOI: 10.7270/Q2B27TQD
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50149711
PNG
(5-Iodo-thiophene-2-carboxylic acid {4-[4-(2-methox...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(I)s2)CC1
Show InChI InChI=1S/C20H26IN3O2S/c1-26-17-7-3-2-6-16(17)24-14-12-23(13-15-24)11-5-4-10-22-20(25)18-8-9-19(21)27-18/h2-3,6-9H,4-5,10-15H2,1H3,(H,22,25)
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Article
PubMed
31n/an/an/an/an/an/an/an/a



University of Erlangen-Nuremberg

Curated by ChEMBL


Assay Description
Binding affinity towards human D4.4 receptor using [3H]-spiperone expressed in CHO cells


Bioorg Med Chem Lett 14: 3963-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.052
BindingDB Entry DOI: 10.7270/Q2B27TQD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50149711
PNG
(5-Iodo-thiophene-2-carboxylic acid {4-[4-(2-methox...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(I)s2)CC1
Show InChI InChI=1S/C20H26IN3O2S/c1-26-17-7-3-2-6-16(17)24-14-12-23(13-15-24)11-5-4-10-22-20(25)18-8-9-19(21)27-18/h2-3,6-9H,4-5,10-15H2,1H3,(H,22,25)
PDB

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35n/an/an/an/an/an/an/an/a



University of Erlangen-Nuremberg

Curated by ChEMBL


Assay Description
Binding affinity towards human D2 short receptor using [3H]-spiperone expressed in CHO cells


Bioorg Med Chem Lett 14: 3963-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.052
BindingDB Entry DOI: 10.7270/Q2B27TQD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50149711
PNG
(5-Iodo-thiophene-2-carboxylic acid {4-[4-(2-methox...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(I)s2)CC1
Show InChI InChI=1S/C20H26IN3O2S/c1-26-17-7-3-2-6-16(17)24-14-12-23(13-15-24)11-5-4-10-22-20(25)18-8-9-19(21)27-18/h2-3,6-9H,4-5,10-15H2,1H3,(H,22,25)
PDB

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Article
PubMed
75n/an/an/an/an/an/an/an/a



University of Erlangen-Nuremberg

Curated by ChEMBL


Assay Description
Binding affinity towards human D2 long receptor using [3H]-spiperone expressed in CHO cells


Bioorg Med Chem Lett 14: 3963-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.052
BindingDB Entry DOI: 10.7270/Q2B27TQD
More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Sus scrofa)
BDBM50149711
PNG
(5-Iodo-thiophene-2-carboxylic acid {4-[4-(2-methox...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(I)s2)CC1
Show InChI InChI=1S/C20H26IN3O2S/c1-26-17-7-3-2-6-16(17)24-14-12-23(13-15-24)11-5-4-10-22-20(25)18-8-9-19(21)27-18/h2-3,6-9H,4-5,10-15H2,1H3,(H,22,25)
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
600n/an/an/an/an/an/an/an/a



University of Erlangen-Nuremberg

Curated by ChEMBL


Assay Description
Binding affinity towards D1 receptor from porcine striatal membranes using [3H]-SCH- 23390


Bioorg Med Chem Lett 14: 3963-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.052
BindingDB Entry DOI: 10.7270/Q2B27TQD
More data for this
Ligand-Target Pair