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BDBM50156813 CHEMBL3792751

SMILES: Fc1ccc2c(CN3CCO[C@H](COc4cccc(Cl)n4)C3)c[nH]c2c1

InChI Key: InChIKey=FKVYTXSHXQFEOI-GGYSOQFKNA-N

Data: 6 KI  1 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 7 hits for monomerid = 50156813   
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 receptors; D2 & D4


(Homo sapiens (Human))
BDBM50156813
PNG
(CHEMBL3792751)
Show SMILES Fc1ccc2c(CN3CCO[C@H](COc4cccc(Cl)n4)C3)c[nH]c2c1 |r|
Show InChI InChI=1/C19H19ClFN3O2/c20-18-2-1-3-19(23-18)26-12-15-11-24(6-7-25-15)10-13-9-22-17-8-14(21)4-5-16(13)17/h1-5,8-9,15,22H,6-7,10-12H2/t15-/s2
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PC sid
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3.30n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Spiperone from human recombinant dopamine D4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 26: 2481-8 (2016)


BindingDB Entry DOI: 10.7270/Q2G44S5M
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50156813
PNG
(CHEMBL3792751)
Show SMILES Fc1ccc2c(CN3CCO[C@H](COc4cccc(Cl)n4)C3)c[nH]c2c1 |r|
Show InChI InChI=1/C19H19ClFN3O2/c20-18-2-1-3-19(23-18)26-12-15-11-24(6-7-25-15)10-13-9-22-17-8-14(21)4-5-16(13)17/h1-5,8-9,15,22H,6-7,10-12H2/t15-/s2
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UniProtKB/SwissProt

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PC cid
PC sid
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>1.00E+4n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Spiperone from human recombinant dopamine D2L receptor expressed in CHO cells


Bioorg Med Chem Lett 26: 2481-8 (2016)


BindingDB Entry DOI: 10.7270/Q2G44S5M
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50156813
PNG
(CHEMBL3792751)
Show SMILES Fc1ccc2c(CN3CCO[C@H](COc4cccc(Cl)n4)C3)c[nH]c2c1 |r|
Show InChI InChI=1/C19H19ClFN3O2/c20-18-2-1-3-19(23-18)26-12-15-11-24(6-7-25-15)10-13-9-22-17-8-14(21)4-5-16(13)17/h1-5,8-9,15,22H,6-7,10-12H2/t15-/s2
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PC cid
PC sid
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>1.00E+4n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Spiperone from human recombinant dopamine D2S receptor expressed in CHO cells


Bioorg Med Chem Lett 26: 2481-8 (2016)


BindingDB Entry DOI: 10.7270/Q2G44S5M
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50156813
PNG
(CHEMBL3792751)
Show SMILES Fc1ccc2c(CN3CCO[C@H](COc4cccc(Cl)n4)C3)c[nH]c2c1 |r|
Show InChI InChI=1/C19H19ClFN3O2/c20-18-2-1-3-19(23-18)26-12-15-11-24(6-7-25-15)10-13-9-22-17-8-14(21)4-5-16(13)17/h1-5,8-9,15,22H,6-7,10-12H2/t15-/s2
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH-23390 from human recombinant dopamine D5 receptor expressed in CHO cells


Bioorg Med Chem Lett 26: 2481-8 (2016)


BindingDB Entry DOI: 10.7270/Q2G44S5M
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50156813
PNG
(CHEMBL3792751)
Show SMILES Fc1ccc2c(CN3CCO[C@H](COc4cccc(Cl)n4)C3)c[nH]c2c1 |r|
Show InChI InChI=1/C19H19ClFN3O2/c20-18-2-1-3-19(23-18)26-12-15-11-24(6-7-25-15)10-13-9-22-17-8-14(21)4-5-16(13)17/h1-5,8-9,15,22H,6-7,10-12H2/t15-/s2
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH-23390 from human recombinant dopamine D1 receptor expressed in CHO cells


Bioorg Med Chem Lett 26: 2481-8 (2016)


BindingDB Entry DOI: 10.7270/Q2G44S5M
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50156813
PNG
(CHEMBL3792751)
Show SMILES Fc1ccc2c(CN3CCO[C@H](COc4cccc(Cl)n4)C3)c[nH]c2c1 |r|
Show InChI InChI=1/C19H19ClFN3O2/c20-18-2-1-3-19(23-18)26-12-15-11-24(6-7-25-15)10-13-9-22-17-8-14(21)4-5-16(13)17/h1-5,8-9,15,22H,6-7,10-12H2/t15-/s2
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Spiperone from human recombinant dopamine D3 receptor expressed in CHO cells


Bioorg Med Chem Lett 26: 2481-8 (2016)


BindingDB Entry DOI: 10.7270/Q2G44S5M
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50156813
PNG
(CHEMBL3792751)
Show SMILES Fc1ccc2c(CN3CCO[C@H](COc4cccc(Cl)n4)C3)c[nH]c2c1 |r|
Show InChI InChI=1/C19H19ClFN3O2/c20-18-2-1-3-19(23-18)26-12-15-11-24(6-7-25-15)10-13-9-22-17-8-14(21)4-5-16(13)17/h1-5,8-9,15,22H,6-7,10-12H2/t15-/s2
Reactome pathway
KEGG

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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 12n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Spiperone from human recombinant dopamine D4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 26: 2481-8 (2016)


BindingDB Entry DOI: 10.7270/Q2G44S5M
More data for this
Ligand-Target Pair