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SMILES: COc1ccc(CCN(C)CCN2CCN(C2=O)c2cccc(Cl)c2)cc1OC

InChI Key: InChIKey=IAUZWUKARUVEJL-UHFFFAOYSA-N

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 = 50414576   
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


(Homo sapiens (Human))
BDBM50414576
PNG
(CHEMBL554693)
Show SMILES COc1ccc(CCN(C)CCN2CCN(C2=O)c2cccc(Cl)c2)cc1OC
Show InChI InChI=1S/C22H28ClN3O3/c1-24(10-9-17-7-8-20(28-2)21(15-17)29-3)11-12-25-13-14-26(22(25)27)19-6-4-5-18(23)16-19/h4-8,15-16H,9-14H2,1-3H3
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100n/an/an/an/an/an/an/an/a



Cancer Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human D2 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 19: 4799-801 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.043
BindingDB Entry DOI: 10.7270/Q2154J9T
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50414576
PNG
(CHEMBL554693)
Show SMILES COc1ccc(CCN(C)CCN2CCN(C2=O)c2cccc(Cl)c2)cc1OC
Show InChI InChI=1S/C22H28ClN3O3/c1-24(10-9-17-7-8-20(28-2)21(15-17)29-3)11-12-25-13-14-26(22(25)27)19-6-4-5-18(23)16-19/h4-8,15-16H,9-14H2,1-3H3
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100n/an/an/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Binding affinity to human DRD2 receptor by GTPgammaS binding assay


Bioorg Med Chem Lett 19: 5056-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.055
BindingDB Entry DOI: 10.7270/Q2PR7X7C
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50414576
PNG
(CHEMBL554693)
Show SMILES COc1ccc(CCN(C)CCN2CCN(C2=O)c2cccc(Cl)c2)cc1OC
Show InChI InChI=1S/C22H28ClN3O3/c1-24(10-9-17-7-8-20(28-2)21(15-17)29-3)11-12-25-13-14-26(22(25)27)19-6-4-5-18(23)16-19/h4-8,15-16H,9-14H2,1-3H3
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126n/an/an/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Binding affinity to human DRD3 receptor by GTPgammaS binding assay


Bioorg Med Chem Lett 19: 5056-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.055
BindingDB Entry DOI: 10.7270/Q2PR7X7C
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50414576
PNG
(CHEMBL554693)
Show SMILES COc1ccc(CCN(C)CCN2CCN(C2=O)c2cccc(Cl)c2)cc1OC
Show InChI InChI=1S/C22H28ClN3O3/c1-24(10-9-17-7-8-20(28-2)21(15-17)29-3)11-12-25-13-14-26(22(25)27)19-6-4-5-18(23)16-19/h4-8,15-16H,9-14H2,1-3H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
126n/an/an/an/an/an/an/an/a



Cancer Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human D3 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 19: 4799-801 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.043
BindingDB Entry DOI: 10.7270/Q2154J9T
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50414576
PNG
(CHEMBL554693)
Show SMILES COc1ccc(CCN(C)CCN2CCN(C2=O)c2cccc(Cl)c2)cc1OC
Show InChI InChI=1S/C22H28ClN3O3/c1-24(10-9-17-7-8-20(28-2)21(15-17)29-3)11-12-25-13-14-26(22(25)27)19-6-4-5-18(23)16-19/h4-8,15-16H,9-14H2,1-3H3
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n/an/a 2.51E+3n/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG


Bioorg Med Chem Lett 19: 5056-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.055
BindingDB Entry DOI: 10.7270/Q2PR7X7C
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50414576
PNG
(CHEMBL554693)
Show SMILES COc1ccc(CCN(C)CCN2CCN(C2=O)c2cccc(Cl)c2)cc1OC
Show InChI InChI=1S/C22H28ClN3O3/c1-24(10-9-17-7-8-20(28-2)21(15-17)29-3)11-12-25-13-14-26(22(25)27)19-6-4-5-18(23)16-19/h4-8,15-16H,9-14H2,1-3H3
PDB
MMDB

Reactome pathway
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Article
PubMed
n/an/a 2.51E+3n/an/an/an/an/an/a



Cancer Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG channel by scintillation proximity assay


Bioorg Med Chem Lett 19: 4799-801 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.043
BindingDB Entry DOI: 10.7270/Q2154J9T
More data for this
Ligand-Target Pair