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5 similar compounds to monomer 50456207

Compile data set for download or QSAR
Wt: 394.5
BDBM50456208
Wt: 491.3
BDBM50042730
Wt: 354.4
BDBM50007525
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Wt: 380.4
BDBM50010728
Wt: 372.4
BDBM50042725
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50456208,50042730,50007525,50010728,50042725   
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))
BDBM50042730
PNG
(4-Amino-5-chloro-N-[5-(4-fluoro-benzyl)-octahydro-...)
Show SMILES COc1cc(Br)cc(C(=O)NC2CC3CCCC(C2)N3Cc2ccc(F)cc2)c1OC
Show InChI InChI=1S/C24H28BrFN2O3/c1-30-22-11-16(25)10-21(23(22)31-2)24(29)27-18-12-19-4-3-5-20(13-18)28(19)14-15-6-8-17(26)9-7-15/h6-11,18-20H,3-5,12-14H2,1-2H3,(H,27,29)
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0.0200n/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))
BDBM50456208
PNG
(CHEMBL2112605)
Show SMILES COc1cccc(C(=O)NC2CC3CCCC(C2)N3Cc2ccccc2)c1OC
Show InChI InChI=1S/C24H30N2O3/c1-28-22-13-7-12-21(23(22)29-2)24(27)25-18-14-19-10-6-11-20(15-18)26(19)16-17-8-4-3-5-9-17/h3-5,7-9,12-13,18-20H,6,10-11,14-16H2,1-2H3,(H,25,27)
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0.0380n/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))
BDBM50042725
PNG
(CHEMBL340471 | N-[1-(4-Fluoro-benzyl)-piperidin-4-...)
Show SMILES COc1cccc(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)c1OC
Show InChI InChI=1S/C21H25FN2O3/c1-26-19-5-3-4-18(20(19)27-2)21(25)23-17-10-12-24(13-11-17)14-15-6-8-16(22)9-7-15/h3-9,17H,10-14H2,1-2H3,(H,23,25)
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0.380n/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))
BDBM50007525
PNG
(CHEMBL123282 | N-(1-Benzyl-piperidin-4-yl)-2,3-dim...)
Show SMILES COc1cccc(C(=O)NC2CCN(Cc3ccccc3)CC2)c1OC
Show InChI InChI=1S/C21H26N2O3/c1-25-19-10-6-9-18(20(19)26-2)21(24)22-17-11-13-23(14-12-17)15-16-7-4-3-5-8-16/h3-10,17H,11-15H2,1-2H3,(H,22,24)
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0.630n/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
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50042730
PNG
(4-Amino-5-chloro-N-[5-(4-fluoro-benzyl)-octahydro-...)
Show SMILES COc1cc(Br)cc(C(=O)NC2CC3CCCC(C2)N3Cc2ccc(F)cc2)c1OC
Show InChI InChI=1S/C24H28BrFN2O3/c1-30-22-11-16(25)10-21(23(22)31-2)24(29)27-18-12-19-4-3-5-20(13-18)28(19)14-15-6-8-17(26)9-7-15/h6-11,18-20H,3-5,12-14H2,1-2H3,(H,27,29)
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3.10n/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
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50042725
PNG
(CHEMBL340471 | N-[1-(4-Fluoro-benzyl)-piperidin-4-...)
Show SMILES COc1cccc(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)c1OC
Show InChI InChI=1S/C21H25FN2O3/c1-26-19-5-3-4-18(20(19)27-2)21(25)23-17-10-12-24(13-11-17)14-15-6-8-16(22)9-7-15/h3-9,17H,10-14H2,1-2H3,(H,23,25)
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5.90n/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...)
BDBM50042725
PNG
(CHEMBL340471 | N-[1-(4-Fluoro-benzyl)-piperidin-4-...)
Show SMILES COc1cccc(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)c1OC
Show InChI InChI=1S/C21H25FN2O3/c1-26-19-5-3-4-18(20(19)27-2)21(25)23-17-10-12-24(13-11-17)14-15-6-8-16(22)9-7-15/h3-9,17H,10-14H2,1-2H3,(H,23,25)
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1.84E+3n/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))
BDBM50042730
PNG
(4-Amino-5-chloro-N-[5-(4-fluoro-benzyl)-octahydro-...)
Show SMILES COc1cc(Br)cc(C(=O)NC2CC3CCCC(C2)N3Cc2ccc(F)cc2)c1OC
Show InChI InChI=1S/C24H28BrFN2O3/c1-30-22-11-16(25)10-21(23(22)31-2)24(29)27-18-12-19-4-3-5-20(13-18)28(19)14-15-6-8-17(26)9-7-15/h6-11,18-20H,3-5,12-14H2,1-2H3,(H,27,29)
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1.90E+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))
BDBM50042725
PNG
(CHEMBL340471 | N-[1-(4-Fluoro-benzyl)-piperidin-4-...)
Show SMILES COc1cccc(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)c1OC
Show InChI InChI=1S/C21H25FN2O3/c1-26-19-5-3-4-18(20(19)27-2)21(25)23-17-10-12-24(13-11-17)14-15-6-8-16(22)9-7-15/h3-9,17H,10-14H2,1-2H3,(H,23,25)
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Article
PubMed
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))
BDBM50010728
PNG
(CHEMBL75876 | N-(8-Benzyl-8-aza-bicyclo[3.2.1]oct-...)
Show SMILES COc1cccc(C(=O)NC2CC3CCC(C2)N3Cc2ccccc2)c1OC
Show InChI InChI=1S/C23H28N2O3/c1-27-21-10-6-9-20(22(21)28-2)23(26)24-17-13-18-11-12-19(14-17)25(18)15-16-7-4-3-5-8-16/h3-10,17-19H,11-15H2,1-2H3,(H,24,26)
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n/an/a 1.70n/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))
BDBM50007525
PNG
(CHEMBL123282 | N-(1-Benzyl-piperidin-4-yl)-2,3-dim...)
Show SMILES COc1cccc(C(=O)NC2CCN(Cc3ccccc3)CC2)c1OC
Show InChI InChI=1S/C21H26N2O3/c1-25-19-10-6-9-18(20(19)26-2)21(24)22-17-11-13-23(14-12-17)15-16-7-4-3-5-8-16/h3-10,17H,11-15H2,1-2H3,(H,22,24)
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n/an/a 6.30n/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