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2 similar compounds to monomer 50017984

Compile data set for download or QSAR
Wt: 354.8
BDBM50017974
Wt: 368.9
BDBM50017988

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50017974,50017988   
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
Dopamine receptor


(RAT)
BDBM50017974
PNG
(CHEMBL3289653)
Show SMILES Clc1ccc(cc1)N1CCN(CCCc2cc3ccccc3o2)CC1
Show InChI InChI=1S/C21H23ClN2O/c22-18-7-9-19(10-8-18)24-14-12-23(13-15-24)11-3-5-20-16-17-4-1-2-6-21(17)25-20/h1-2,4,6-10,16H,3,5,11-15H2
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79n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from rat dopamine D4 receptor by PDSP assay


Bioorg Med Chem 22: 3105-14 (2014)


Article DOI: 10.1016/j.bmc.2014.04.026
BindingDB Entry DOI: 10.7270/Q25140RW
More data for this
Ligand-Target Pair
Dopamine receptor


(RAT)
BDBM50017988
PNG
(CHEMBL3289655)
Show SMILES Clc1ccc(cc1)N1CCCN(CCCc2cc3ccccc3o2)CC1
Show InChI InChI=1S/C22H25ClN2O/c23-19-8-10-20(11-9-19)25-14-4-13-24(15-16-25)12-3-6-21-17-18-5-1-2-7-22(18)26-21/h1-2,5,7-11,17H,3-4,6,12-16H2
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185n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from rat dopamine D4 receptor by PDSP assay


Bioorg Med Chem 22: 3105-14 (2014)


Article DOI: 10.1016/j.bmc.2014.04.026
BindingDB Entry DOI: 10.7270/Q25140RW
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50017988
PNG
(CHEMBL3289655)
Show SMILES Clc1ccc(cc1)N1CCCN(CCCc2cc3ccccc3o2)CC1
Show InChI InChI=1S/C22H25ClN2O/c23-19-8-10-20(11-9-19)25-14-4-13-24(15-16-25)12-3-6-21-17-18-5-1-2-7-22(18)26-21/h1-2,5,7-11,17H,3-4,6,12-16H2
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Article
PubMed
274n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human dopamine D1 receptor by PDSP assay


Bioorg Med Chem 22: 3105-14 (2014)


Article DOI: 10.1016/j.bmc.2014.04.026
BindingDB Entry DOI: 10.7270/Q25140RW
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50017974
PNG
(CHEMBL3289653)
Show SMILES Clc1ccc(cc1)N1CCN(CCCc2cc3ccccc3o2)CC1
Show InChI InChI=1S/C21H23ClN2O/c22-18-7-9-19(10-8-18)24-14-12-23(13-15-24)11-3-5-20-16-17-4-1-2-6-21(17)25-20/h1-2,4,6-10,16H,3,5,11-15H2
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Article
PubMed
1.41E+3n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human dopamine D1 receptor by PDSP assay


Bioorg Med Chem 22: 3105-14 (2014)


Article DOI: 10.1016/j.bmc.2014.04.026
BindingDB Entry DOI: 10.7270/Q25140RW
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50017988
PNG
(CHEMBL3289655)
Show SMILES Clc1ccc(cc1)N1CCCN(CCCc2cc3ccccc3o2)CC1
Show InChI InChI=1S/C22H25ClN2O/c23-19-8-10-20(11-9-19)25-14-4-13-24(15-16-25)12-3-6-21-17-18-5-1-2-7-22(18)26-21/h1-2,5,7-11,17H,3-4,6,12-16H2
UniProtKB/SwissProt

antibodypedia
GoogleScholar
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PC sid
UniChem

Similars

Article
PubMed
1.46E+3n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D3 receptor by PDSP assay


Bioorg Med Chem 22: 3105-14 (2014)


Article DOI: 10.1016/j.bmc.2014.04.026
BindingDB Entry DOI: 10.7270/Q25140RW
More data for this
Ligand-Target Pair
Dopamine D5 receptor


(Homo sapiens (Human))
BDBM50017988
PNG
(CHEMBL3289655)
Show SMILES Clc1ccc(cc1)N1CCCN(CCCc2cc3ccccc3o2)CC1
Show InChI InChI=1S/C22H25ClN2O/c23-19-8-10-20(11-9-19)25-14-4-13-24(15-16-25)12-3-6-21-17-18-5-1-2-7-22(18)26-21/h1-2,5,7-11,17H,3-4,6,12-16H2
UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.52E+3n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human dopamine D5 receptor by PDSP assay


Bioorg Med Chem 22: 3105-14 (2014)


Article DOI: 10.1016/j.bmc.2014.04.026
BindingDB Entry DOI: 10.7270/Q25140RW
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50017974
PNG
(CHEMBL3289653)
Show SMILES Clc1ccc(cc1)N1CCN(CCCc2cc3ccccc3o2)CC1
Show InChI InChI=1S/C21H23ClN2O/c22-18-7-9-19(10-8-18)24-14-12-23(13-15-24)11-3-5-20-16-17-4-1-2-6-21(17)25-20/h1-2,4,6-10,16H,3,5,11-15H2
PDB

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Article
PubMed
1.98E+3n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D2 receptor by PDSP assay


Bioorg Med Chem 22: 3105-14 (2014)


Article DOI: 10.1016/j.bmc.2014.04.026
BindingDB Entry DOI: 10.7270/Q25140RW
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50017974
PNG
(CHEMBL3289653)
Show SMILES Clc1ccc(cc1)N1CCN(CCCc2cc3ccccc3o2)CC1
Show InChI InChI=1S/C21H23ClN2O/c22-18-7-9-19(10-8-18)24-14-12-23(13-15-24)11-3-5-20-16-17-4-1-2-6-21(17)25-20/h1-2,4,6-10,16H,3,5,11-15H2
UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.29E+3n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D3 receptor by PDSP assay


Bioorg Med Chem 22: 3105-14 (2014)


Article DOI: 10.1016/j.bmc.2014.04.026
BindingDB Entry DOI: 10.7270/Q25140RW
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50017988
PNG
(CHEMBL3289655)
Show SMILES Clc1ccc(cc1)N1CCCN(CCCc2cc3ccccc3o2)CC1
Show InChI InChI=1S/C22H25ClN2O/c23-19-8-10-20(11-9-19)25-14-4-13-24(15-16-25)12-3-6-21-17-18-5-1-2-7-22(18)26-21/h1-2,5,7-11,17H,3-4,6,12-16H2
PDB

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



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D2 receptor by PDSP assay


Bioorg Med Chem 22: 3105-14 (2014)


Article DOI: 10.1016/j.bmc.2014.04.026
BindingDB Entry DOI: 10.7270/Q25140RW
More data for this
Ligand-Target Pair