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BDBM85413 7-{4-[4-(4-hydroxy-2,3-dimethylphenyl)piperazin-1-yl]butoxy}-1,2,3,4-tetrahydroquinolin-2-one::DM 1451

SMILES: Cc1c(O)ccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1C

InChI Key: InChIKey=PAUGKXWLDIKBPI-UHFFFAOYSA-N

Data: 9 KI

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 9 hits for monomerid = 85413   
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


(Rattus norvegicus (rat))
BDBM85413
PNG
(7-{4-[4-(4-hydroxy-2,3-dimethylphenyl)piperazin-1-...)
Show SMILES Cc1c(O)ccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1C
Show InChI InChI=1S/C25H33N3O3/c1-18-19(2)24(29)9-8-23(18)28-14-12-27(13-15-28)11-3-4-16-31-21-7-5-20-6-10-25(30)26-22(20)17-21/h5,7-9,17,29H,3-4,6,10-16H2,1-2H3,(H,26,30)
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Article
PubMed
0.210n/an/an/an/an/an/an/an/a



University of North Carolina

Curated by PDSP Ki Database




Neuropsychopharmacology 20: 612-27 (1999)


Article DOI: 10.1016/S0893-133X(98)00099-2
BindingDB Entry DOI: 10.7270/Q2ZP44NW
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM85413
PNG
(7-{4-[4-(4-hydroxy-2,3-dimethylphenyl)piperazin-1-...)
Show SMILES Cc1c(O)ccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1C
Show InChI InChI=1S/C25H33N3O3/c1-18-19(2)24(29)9-8-23(18)28-14-12-27(13-15-28)11-3-4-16-31-21-7-5-20-6-10-25(30)26-22(20)17-21/h5,7-9,17,29H,3-4,6,10-16H2,1-2H3,(H,26,30)
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PubMed
0.960n/an/an/an/an/an/an/an/a



University of North Carolina

Curated by PDSP Ki Database




Neuropsychopharmacology 20: 612-27 (1999)


Article DOI: 10.1016/S0893-133X(98)00099-2
BindingDB Entry DOI: 10.7270/Q2ZP44NW
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM85413
PNG
(7-{4-[4-(4-hydroxy-2,3-dimethylphenyl)piperazin-1-...)
Show SMILES Cc1c(O)ccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1C
Show InChI InChI=1S/C25H33N3O3/c1-18-19(2)24(29)9-8-23(18)28-14-12-27(13-15-28)11-3-4-16-31-21-7-5-20-6-10-25(30)26-22(20)17-21/h5,7-9,17,29H,3-4,6,10-16H2,1-2H3,(H,26,30)
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1.63n/an/an/an/an/an/an/an/a



University of North Carolina

Curated by PDSP Ki Database




Neuropsychopharmacology 20: 612-27 (1999)


Article DOI: 10.1016/S0893-133X(98)00099-2
BindingDB Entry DOI: 10.7270/Q2ZP44NW
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM85413
PNG
(7-{4-[4-(4-hydroxy-2,3-dimethylphenyl)piperazin-1-...)
Show SMILES Cc1c(O)ccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1C
Show InChI InChI=1S/C25H33N3O3/c1-18-19(2)24(29)9-8-23(18)28-14-12-27(13-15-28)11-3-4-16-31-21-7-5-20-6-10-25(30)26-22(20)17-21/h5,7-9,17,29H,3-4,6,10-16H2,1-2H3,(H,26,30)
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4.10n/an/an/an/an/an/an/an/a



University of North Carolina

Curated by PDSP Ki Database




Neuropsychopharmacology 20: 612-27 (1999)


Article DOI: 10.1016/S0893-133X(98)00099-2
BindingDB Entry DOI: 10.7270/Q2ZP44NW
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM85413
PNG
(7-{4-[4-(4-hydroxy-2,3-dimethylphenyl)piperazin-1-...)
Show SMILES Cc1c(O)ccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1C
Show InChI InChI=1S/C25H33N3O3/c1-18-19(2)24(29)9-8-23(18)28-14-12-27(13-15-28)11-3-4-16-31-21-7-5-20-6-10-25(30)26-22(20)17-21/h5,7-9,17,29H,3-4,6,10-16H2,1-2H3,(H,26,30)
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4.5n/an/an/an/an/an/an/an/a



University of North Carolina

Curated by PDSP Ki Database




Neuropsychopharmacology 20: 612-27 (1999)


Article DOI: 10.1016/S0893-133X(98)00099-2
BindingDB Entry DOI: 10.7270/Q2ZP44NW
More data for this
Ligand-Target Pair
Dopamine receptor


(RAT)
BDBM85413
PNG
(7-{4-[4-(4-hydroxy-2,3-dimethylphenyl)piperazin-1-...)
Show SMILES Cc1c(O)ccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1C
Show InChI InChI=1S/C25H33N3O3/c1-18-19(2)24(29)9-8-23(18)28-14-12-27(13-15-28)11-3-4-16-31-21-7-5-20-6-10-25(30)26-22(20)17-21/h5,7-9,17,29H,3-4,6,10-16H2,1-2H3,(H,26,30)
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120n/an/an/an/an/an/an/an/a



University of North Carolina

Curated by PDSP Ki Database




Neuropsychopharmacology 20: 612-27 (1999)


Article DOI: 10.1016/S0893-133X(98)00099-2
BindingDB Entry DOI: 10.7270/Q2ZP44NW
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM85413
PNG
(7-{4-[4-(4-hydroxy-2,3-dimethylphenyl)piperazin-1-...)
Show SMILES Cc1c(O)ccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1C
Show InChI InChI=1S/C25H33N3O3/c1-18-19(2)24(29)9-8-23(18)28-14-12-27(13-15-28)11-3-4-16-31-21-7-5-20-6-10-25(30)26-22(20)17-21/h5,7-9,17,29H,3-4,6,10-16H2,1-2H3,(H,26,30)
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220n/an/an/an/an/an/an/an/a



University of North Carolina

Curated by PDSP Ki Database




Neuropsychopharmacology 20: 612-27 (1999)


Article DOI: 10.1016/S0893-133X(98)00099-2
BindingDB Entry DOI: 10.7270/Q2ZP44NW
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM85413
PNG
(7-{4-[4-(4-hydroxy-2,3-dimethylphenyl)piperazin-1-...)
Show SMILES Cc1c(O)ccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1C
Show InChI InChI=1S/C25H33N3O3/c1-18-19(2)24(29)9-8-23(18)28-14-12-27(13-15-28)11-3-4-16-31-21-7-5-20-6-10-25(30)26-22(20)17-21/h5,7-9,17,29H,3-4,6,10-16H2,1-2H3,(H,26,30)
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460n/an/an/an/an/an/an/an/a



University of North Carolina

Curated by PDSP Ki Database




Neuropsychopharmacology 20: 612-27 (1999)


Article DOI: 10.1016/S0893-133X(98)00099-2
BindingDB Entry DOI: 10.7270/Q2ZP44NW
More data for this
Ligand-Target Pair
Dopamine D1B


(RAT)
BDBM85413
PNG
(7-{4-[4-(4-hydroxy-2,3-dimethylphenyl)piperazin-1-...)
Show SMILES Cc1c(O)ccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1C
Show InChI InChI=1S/C25H33N3O3/c1-18-19(2)24(29)9-8-23(18)28-14-12-27(13-15-28)11-3-4-16-31-21-7-5-20-6-10-25(30)26-22(20)17-21/h5,7-9,17,29H,3-4,6,10-16H2,1-2H3,(H,26,30)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of North Carolina

Curated by PDSP Ki Database




Neuropsychopharmacology 20: 612-27 (1999)


Article DOI: 10.1016/S0893-133X(98)00099-2
BindingDB Entry DOI: 10.7270/Q2ZP44NW
More data for this
Ligand-Target Pair