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BDBM50414560 CHEMBL563926

SMILES: COc1cccc(CCN(C)CCN2CCN(C2=O)c2cccc(Cl)c2)c1

InChI Key: InChIKey=WNAKEYFAGBCYGF-UHFFFAOYSA-N

Data: 4 KI  2 IC50

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 = 50414560   
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))
BDBM50414560
PNG
(CHEMBL563926)
Show SMILES COc1cccc(CCN(C)CCN2CCN(C2=O)c2cccc(Cl)c2)c1
Show InChI InChI=1S/C21H26ClN3O2/c1-23(10-9-17-5-3-8-20(15-17)27-2)11-12-24-13-14-25(21(24)26)19-7-4-6-18(22)16-19/h3-8,15-16H,9-14H2,1-2H3
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50.1n/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))
BDBM50414560
PNG
(CHEMBL563926)
Show SMILES COc1cccc(CCN(C)CCN2CCN(C2=O)c2cccc(Cl)c2)c1
Show InChI InChI=1S/C21H26ClN3O2/c1-23(10-9-17-5-3-8-20(15-17)27-2)11-12-24-13-14-25(21(24)26)19-7-4-6-18(22)16-19/h3-8,15-16H,9-14H2,1-2H3
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50.1n/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))
BDBM50414560
PNG
(CHEMBL563926)
Show SMILES COc1cccc(CCN(C)CCN2CCN(C2=O)c2cccc(Cl)c2)c1
Show InChI InChI=1S/C21H26ClN3O2/c1-23(10-9-17-5-3-8-20(15-17)27-2)11-12-24-13-14-25(21(24)26)19-7-4-6-18(22)16-19/h3-8,15-16H,9-14H2,1-2H3
PDB

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antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
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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
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50414560
PNG
(CHEMBL563926)
Show SMILES COc1cccc(CCN(C)CCN2CCN(C2=O)c2cccc(Cl)c2)c1
Show InChI InChI=1S/C21H26ClN3O2/c1-23(10-9-17-5-3-8-20(15-17)27-2)11-12-24-13-14-25(21(24)26)19-7-4-6-18(22)16-19/h3-8,15-16H,9-14H2,1-2H3
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



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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50414560
PNG
(CHEMBL563926)
Show SMILES COc1cccc(CCN(C)CCN2CCN(C2=O)c2cccc(Cl)c2)c1
Show InChI InChI=1S/C21H26ClN3O2/c1-23(10-9-17-5-3-8-20(15-17)27-2)11-12-24-13-14-25(21(24)26)19-7-4-6-18(22)16-19/h3-8,15-16H,9-14H2,1-2H3
PDB
MMDB

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Article
PubMed
n/an/a 631n/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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50414560
PNG
(CHEMBL563926)
Show SMILES COc1cccc(CCN(C)CCN2CCN(C2=O)c2cccc(Cl)c2)c1
Show InChI InChI=1S/C21H26ClN3O2/c1-23(10-9-17-5-3-8-20(15-17)27-2)11-12-24-13-14-25(21(24)26)19-7-4-6-18(22)16-19/h3-8,15-16H,9-14H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

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UniProtKB/TrEMBL

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 631n/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