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6 similar compounds to monomer 50042730

Compile data set for download or QSAR
Wt: 412.4
BDBM50456207
Wt: 433.3
BDBM50007514
Wt: 451.3
BDBM50007521
Wt: 449.3
BDBM50007527
Wt: 451.3
BDBM50007529
Wt: 451.3
BDBM50042731

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50456207,50007514,50007521,50007527,50007529,50042731   
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 D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50456207
PNG
(CHEMBL2112607)
Show SMILES COc1cccc(C(=O)NC2CC3CCCC(C2)N3Cc2ccc(F)cc2)c1OC
Show InChI InChI=1S/C24H29FN2O3/c1-29-22-8-4-7-21(23(22)30-2)24(28)26-18-13-19-5-3-6-20(14-18)27(19)15-16-9-11-17(25)12-10-16/h4,7-12,18-20H,3,5-6,13-15H2,1-2H3,(H,26,28)
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0.0280n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of [125I]- NCQ 298 binding to D2 receptor of rat striatal tissue


J Med Chem 36: 3707-20 (1994)


Article DOI: 10.1021/jm00075a028
BindingDB Entry DOI: 10.7270/Q2MK6DH1
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50042731
PNG
(5-Bromo-N-[1-(4-fluoro-benzyl)-piperidin-4-yl]-2,3...)
Show SMILES COc1cc(Br)cc(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)c1OC
Show InChI InChI=1S/C21H24BrFN2O3/c1-27-19-12-15(22)11-18(20(19)28-2)21(26)24-17-7-9-25(10-8-17)13-14-3-5-16(23)6-4-14/h3-6,11-12,17H,7-10,13H2,1-2H3,(H,24,26)
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0.0700n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of [125I]- NCQ 298 binding to D2 receptor of rat striatal tissue


J Med Chem 36: 3707-20 (1994)


Article DOI: 10.1021/jm00075a028
BindingDB Entry DOI: 10.7270/Q2MK6DH1
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50007521
PNG
(5-Bromo-N-[1-(4-fluoro-benzyl)-pyrrolidin-2-ylmeth...)
Show SMILES COc1cc(Br)cc(C(=O)NC[C@@H]2CCCN2Cc2ccc(F)cc2)c1OC
Show InChI InChI=1S/C21H24BrFN2O3/c1-27-19-11-15(22)10-18(20(19)28-2)21(26)24-12-17-4-3-9-25(17)13-14-5-7-16(23)8-6-14/h5-8,10-11,17H,3-4,9,12-13H2,1-2H3,(H,24,26)/t17-/m0/s1
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0.147n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition constant against dopamine receptor D2 in rat


J Med Chem 36: 221-8 (1993)


Article DOI: 10.1021/jm00054a005
BindingDB Entry DOI: 10.7270/Q2TT4Q10
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50456207
PNG
(CHEMBL2112607)
Show SMILES COc1cccc(C(=O)NC2CC3CCCC(C2)N3Cc2ccc(F)cc2)c1OC
Show InChI InChI=1S/C24H29FN2O3/c1-29-22-8-4-7-21(23(22)30-2)24(28)26-18-13-19-5-3-6-20(14-18)27(19)15-16-9-11-17(25)12-10-16/h4,7-12,18-20H,3,5-6,13-15H2,1-2H3,(H,26,28)
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0.210n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
In vitro binding affinity on D3 receptor is inhibition of binding of [125I]- NCQ 298 to Sf9 cells infected with recombinant baculovirus


J Med Chem 36: 3707-20 (1994)


Article DOI: 10.1021/jm00075a028
BindingDB Entry DOI: 10.7270/Q2MK6DH1
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50007514
PNG
(CHEMBL75842 | N-(1-Benzyl-piperidin-4-yl)-5-bromo-...)
Show SMILES COc1cc(Br)cc(C(=O)NC2CCN(Cc3ccccc3)CC2)c1OC
Show InChI InChI=1S/C21H25BrN2O3/c1-26-19-13-16(22)12-18(20(19)27-2)21(25)23-17-8-10-24(11-9-17)14-15-6-4-3-5-7-15/h3-7,12-13,17H,8-11,14H2,1-2H3,(H,23,25)
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0.310n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of [125I]- NCQ 298 binding to D2 receptor of rat striatal tissue


J Med Chem 36: 3707-20 (1994)


Article DOI: 10.1021/jm00075a028
BindingDB Entry DOI: 10.7270/Q2MK6DH1
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50042731
PNG
(5-Bromo-N-[1-(4-fluoro-benzyl)-piperidin-4-yl]-2,3...)
Show SMILES COc1cc(Br)cc(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)c1OC
Show InChI InChI=1S/C21H24BrFN2O3/c1-27-19-12-15(22)11-18(20(19)28-2)21(26)24-17-7-9-25(10-8-17)13-14-3-5-16(23)6-4-14/h3-6,11-12,17H,7-10,13H2,1-2H3,(H,24,26)
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0.450n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
In vitro binding affinity on D3 receptor is inhibition of binding of [125I]- NCQ 298 to Sf9 cells infected with recombinant baculovirus


J Med Chem 36: 3707-20 (1994)


Article DOI: 10.1021/jm00075a028
BindingDB Entry DOI: 10.7270/Q2MK6DH1
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50456207
PNG
(CHEMBL2112607)
Show SMILES COc1cccc(C(=O)NC2CC3CCCC(C2)N3Cc2ccc(F)cc2)c1OC
Show InChI InChI=1S/C24H29FN2O3/c1-29-22-8-4-7-21(23(22)30-2)24(28)26-18-13-19-5-3-6-20(14-18)27(19)15-16-9-11-17(25)12-10-16/h4,7-12,18-20H,3,5-6,13-15H2,1-2H3,(H,26,28)
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84n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
In vitro binding affinity on 5-hydroxytryptamine 2 receptor is inhibition of binding of [125I]- I-LSD to P11 cells


J Med Chem 36: 3707-20 (1994)


Article DOI: 10.1021/jm00075a028
BindingDB Entry DOI: 10.7270/Q2MK6DH1
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50042731
PNG
(5-Bromo-N-[1-(4-fluoro-benzyl)-piperidin-4-yl]-2,3...)
Show SMILES COc1cc(Br)cc(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)c1OC
Show InChI InChI=1S/C21H24BrFN2O3/c1-27-19-12-15(22)11-18(20(19)28-2)21(26)24-17-7-9-25(10-8-17)13-14-3-5-16(23)6-4-14/h3-6,11-12,17H,7-10,13H2,1-2H3,(H,24,26)
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94n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
In vitro binding affinity on 5-hydroxytryptamine 2 receptor is inhibition of binding of [125I]- I-LSD to P11 cells


J Med Chem 36: 3707-20 (1994)


Article DOI: 10.1021/jm00075a028
BindingDB Entry DOI: 10.7270/Q2MK6DH1
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50456207
PNG
(CHEMBL2112607)
Show SMILES COc1cccc(C(=O)NC2CC3CCCC(C2)N3Cc2ccc(F)cc2)c1OC
Show InChI InChI=1S/C24H29FN2O3/c1-29-22-8-4-7-21(23(22)30-2)24(28)26-18-13-19-5-3-6-20(14-18)27(19)15-16-9-11-17(25)12-10-16/h4,7-12,18-20H,3,5-6,13-15H2,1-2H3,(H,26,28)
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1.30E+3n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
In vitro binding affinity on alpha-2 receptor is inhibition of binding of [3H]- rauwolscine to rat cortex


J Med Chem 36: 3707-20 (1994)


Article DOI: 10.1021/jm00075a028
BindingDB Entry DOI: 10.7270/Q2MK6DH1
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50042731
PNG
(5-Bromo-N-[1-(4-fluoro-benzyl)-piperidin-4-yl]-2,3...)
Show SMILES COc1cc(Br)cc(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)c1OC
Show InChI InChI=1S/C21H24BrFN2O3/c1-27-19-12-15(22)11-18(20(19)28-2)21(26)24-17-7-9-25(10-8-17)13-14-3-5-16(23)6-4-14/h3-6,11-12,17H,7-10,13H2,1-2H3,(H,24,26)
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3.00E+3n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
In vitro binding affinity on alpha-2 receptor is inhibition of binding of [3H]- rauwolscine to rat cortex


J Med Chem 36: 3707-20 (1994)


Article DOI: 10.1021/jm00075a028
BindingDB Entry DOI: 10.7270/Q2MK6DH1
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50007527
PNG
(CHEMBL172536 | N-(1-Benzyl-piperidin-4-yl)-3-bromo...)
Show SMILES COc1cc(Br)c(O)c(C(=O)NC2CCN(Cc3ccccc3)CC2)c1OC
Show InChI InChI=1S/C21H25BrN2O4/c1-27-17-12-16(22)19(25)18(20(17)28-2)21(26)23-15-8-10-24(11-9-15)13-14-6-4-3-5-7-14/h3-7,12,15,25H,8-11,13H2,1-2H3,(H,23,26)
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n/an/a 0.360n/an/an/an/an/an/a



Astra Research Centre AB

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to rat striatal dopamine receptor D2 was determined in vitro


J Med Chem 34: 948-55 (1991)


Article DOI: 10.1021/jm00107a012
BindingDB Entry DOI: 10.7270/Q2GT5NS9
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50007521
PNG
(5-Bromo-N-[1-(4-fluoro-benzyl)-pyrrolidin-2-ylmeth...)
Show SMILES COc1cc(Br)cc(C(=O)NC[C@@H]2CCCN2Cc2ccc(F)cc2)c1OC
Show InChI InChI=1S/C21H24BrFN2O3/c1-27-19-11-15(22)10-18(20(19)28-2)21(26)24-12-17-4-3-9-25(17)13-14-5-7-16(23)8-6-14/h5-8,10-11,17H,3-4,9,12-13H2,1-2H3,(H,24,26)/t17-/m0/s1
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n/an/a 126n/an/an/an/an/an/a



Astra Research Centre AB

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to rat striatal dopamine receptor D2 was determined in vitro


J Med Chem 34: 948-55 (1991)


Article DOI: 10.1021/jm00107a012
BindingDB Entry DOI: 10.7270/Q2GT5NS9
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50007514
PNG
(CHEMBL75842 | N-(1-Benzyl-piperidin-4-yl)-5-bromo-...)
Show SMILES COc1cc(Br)cc(C(=O)NC2CCN(Cc3ccccc3)CC2)c1OC
Show InChI InChI=1S/C21H25BrN2O3/c1-26-19-13-16(22)12-18(20(19)27-2)21(25)23-17-8-10-24(11-9-17)14-15-6-4-3-5-7-15/h3-7,12-13,17H,8-11,14H2,1-2H3,(H,23,25)
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n/an/a 5n/an/an/an/an/an/a



Astra Research Centre AB

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to rat striatal dopamine receptor D2 was determined in vitro


J Med Chem 34: 948-55 (1991)


Article DOI: 10.1021/jm00107a012
BindingDB Entry DOI: 10.7270/Q2GT5NS9
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50007514
PNG
(CHEMBL75842 | N-(1-Benzyl-piperidin-4-yl)-5-bromo-...)
Show SMILES COc1cc(Br)cc(C(=O)NC2CCN(Cc3ccccc3)CC2)c1OC
Show InChI InChI=1S/C21H25BrN2O3/c1-26-19-13-16(22)12-18(20(19)27-2)21(25)23-17-8-10-24(11-9-17)14-15-6-4-3-5-7-15/h3-7,12-13,17H,8-11,14H2,1-2H3,(H,23,25)
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n/an/a 5n/an/an/an/an/an/a



Astra Research Centre AB

Curated by ChEMBL


Assay Description
The affinity for the Dopamine receptor D2 was assessed by the inhibition of [3H]-spiperone binding in rat striatal membranes in vitro.


J Med Chem 33: 2305-9 (1990)


Article DOI: 10.1021/jm00170a040
BindingDB Entry DOI: 10.7270/Q29P30MH
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50007529
PNG
((R) 5-Bromo-N-[1-(4-fluoro-benzyl)-pyrrolidin-2-yl...)
Show SMILES COc1cc(Br)cc(C(=O)NC[C@H]2CCCN2Cc2ccc(F)cc2)c1OC
Show InChI InChI=1S/C21H24BrFN2O3/c1-27-19-11-15(22)10-18(20(19)28-2)21(26)24-12-17-4-3-9-25(17)13-14-5-7-16(23)8-6-14/h5-8,10-11,17H,3-4,9,12-13H2,1-2H3,(H,24,26)/t17-/m1/s1
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n/an/a 0.650n/an/an/an/an/an/a



Astra Research Centre AB

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to rat striatal dopamine receptor D2 was determined in vitro


J Med Chem 34: 948-55 (1991)


Article DOI: 10.1021/jm00107a012
BindingDB Entry DOI: 10.7270/Q2GT5NS9
More data for this
Ligand-Target Pair