BindingDB logo
myBDB logout

null

SMILES: Clc1cccc(c1)N1CCN(CCN2CCCC(C2)OCc2ccccc2)C1=O

InChI Key: InChIKey=GESNZTWIXMSIMZ-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 = 50414559   
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))
BDBM50414559
PNG
(CHEMBL557110)
Show SMILES Clc1cccc(c1)N1CCN(CCN2CCCC(C2)OCc2ccccc2)C1=O
Show InChI InChI=1S/C23H28ClN3O2/c24-20-8-4-9-21(16-20)27-15-14-26(23(27)28)13-12-25-11-5-10-22(17-25)29-18-19-6-2-1-3-7-19/h1-4,6-9,16,22H,5,10-15,17-18H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
79.4n/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))
BDBM50414559
PNG
(CHEMBL557110)
Show SMILES Clc1cccc(c1)N1CCN(CCN2CCCC(C2)OCc2ccccc2)C1=O
Show InChI InChI=1S/C23H28ClN3O2/c24-20-8-4-9-21(16-20)27-15-14-26(23(27)28)13-12-25-11-5-10-22(17-25)29-18-19-6-2-1-3-7-19/h1-4,6-9,16,22H,5,10-15,17-18H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
79.4n/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))
BDBM50414559
PNG
(CHEMBL557110)
Show SMILES Clc1cccc(c1)N1CCN(CCN2CCCC(C2)OCc2ccccc2)C1=O
Show InChI InChI=1S/C23H28ClN3O2/c24-20-8-4-9-21(16-20)27-15-14-26(23(27)28)13-12-25-11-5-10-22(17-25)29-18-19-6-2-1-3-7-19/h1-4,6-9,16,22H,5,10-15,17-18H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
100n/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))
BDBM50414559
PNG
(CHEMBL557110)
Show SMILES Clc1cccc(c1)N1CCN(CCN2CCCC(C2)OCc2ccccc2)C1=O
Show InChI InChI=1S/C23H28ClN3O2/c24-20-8-4-9-21(16-20)27-15-14-26(23(27)28)13-12-25-11-5-10-22(17-25)29-18-19-6-2-1-3-7-19/h1-4,6-9,16,22H,5,10-15,17-18H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
100n/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))
BDBM50414559
PNG
(CHEMBL557110)
Show SMILES Clc1cccc(c1)N1CCN(CCN2CCCC(C2)OCc2ccccc2)C1=O
Show InChI InChI=1S/C23H28ClN3O2/c24-20-8-4-9-21(16-20)27-15-14-26(23(27)28)13-12-25-11-5-10-22(17-25)29-18-19-6-2-1-3-7-19/h1-4,6-9,16,22H,5,10-15,17-18H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 79.4n/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))
BDBM50414559
PNG
(CHEMBL557110)
Show SMILES Clc1cccc(c1)N1CCN(CCN2CCCC(C2)OCc2ccccc2)C1=O
Show InChI InChI=1S/C23H28ClN3O2/c24-20-8-4-9-21(16-20)27-15-14-26(23(27)28)13-12-25-11-5-10-22(17-25)29-18-19-6-2-1-3-7-19/h1-4,6-9,16,22H,5,10-15,17-18H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 79.4n/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