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SMILES: Cc1cccc(c1)C(NO)C(=O)CN1CCN(CC1)c1ccccn1

InChI Key: InChIKey=QTFPAMABGWDWIR-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 = 50193308   
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))
BDBM50193308
PNG
((Z)-2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)-1-(...)
Show SMILES Cc1cccc(c1)C(NO)C(=O)CN1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C19H24N4O2/c1-15-5-4-6-16(13-15)19(21-25)17(24)14-22-9-11-23(12-10-22)18-7-2-3-8-20-18/h2-8,13,19,21,25H,9-12,14H2,1H3
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PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant D2 receptor expressed in HEK293 cells by FLIPR assay


J Med Chem 49: 5093-109 (2006)


Article DOI: 10.1021/jm060279f
BindingDB Entry DOI: 10.7270/Q2CJ8D4B
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50193308
PNG
((Z)-2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)-1-(...)
Show SMILES Cc1cccc(c1)C(NO)C(=O)CN1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C19H24N4O2/c1-15-5-4-6-16(13-15)19(21-25)17(24)14-22-9-11-23(12-10-22)18-7-2-3-8-20-18/h2-8,13,19,21,25H,9-12,14H2,1H3
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PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant D2 receptor expressed in HEK293 cells by FLIPR assay


J Med Chem 49: 5093-109 (2006)


Article DOI: 10.1021/jm060279f
BindingDB Entry DOI: 10.7270/Q2CJ8D4B
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50193308
PNG
((Z)-2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)-1-(...)
Show SMILES Cc1cccc(c1)C(NO)C(=O)CN1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C19H24N4O2/c1-15-5-4-6-16(13-15)19(21-25)17(24)14-22-9-11-23(12-10-22)18-7-2-3-8-20-18/h2-8,13,19,21,25H,9-12,14H2,1H3
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PubMed
n/an/an/an/a 44.8n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Activity at human recombinant D4.4 receptor expressed in HEK293 cells by FLIPR assay


J Med Chem 49: 5093-109 (2006)


Article DOI: 10.1021/jm060279f
BindingDB Entry DOI: 10.7270/Q2CJ8D4B
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50193308
PNG
((Z)-2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)-1-(...)
Show SMILES Cc1cccc(c1)C(NO)C(=O)CN1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C19H24N4O2/c1-15-5-4-6-16(13-15)19(21-25)17(24)14-22-9-11-23(12-10-22)18-7-2-3-8-20-18/h2-8,13,19,21,25H,9-12,14H2,1H3
PDB

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PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant D2 receptor expressed in HEK293 cells by FLIPR assay


J Med Chem 49: 5093-109 (2006)


Article DOI: 10.1021/jm060279f
BindingDB Entry DOI: 10.7270/Q2CJ8D4B
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50193308
PNG
((Z)-2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)-1-(...)
Show SMILES Cc1cccc(c1)C(NO)C(=O)CN1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C19H24N4O2/c1-15-5-4-6-16(13-15)19(21-25)17(24)14-22-9-11-23(12-10-22)18-7-2-3-8-20-18/h2-8,13,19,21,25H,9-12,14H2,1H3
PDB

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Article
PubMed
n/an/an/an/a 4.90n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Activity at human recombinant D4.4 receptor expressed in HEK293 cells by FLIPR assay


J Med Chem 49: 5093-109 (2006)


Article DOI: 10.1021/jm060279f
BindingDB Entry DOI: 10.7270/Q2CJ8D4B
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50193308
PNG
((Z)-2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)-1-(...)
Show SMILES Cc1cccc(c1)C(NO)C(=O)CN1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C19H24N4O2/c1-15-5-4-6-16(13-15)19(21-25)17(24)14-22-9-11-23(12-10-22)18-7-2-3-8-20-18/h2-8,13,19,21,25H,9-12,14H2,1H3
PDB

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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant D2 receptor expressed in HEK293 cells by FLIPR assay


J Med Chem 49: 5093-109 (2006)


Article DOI: 10.1021/jm060279f
BindingDB Entry DOI: 10.7270/Q2CJ8D4B
More data for this
Ligand-Target Pair