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PubMed code 1361578

Compile data set for download or QSAR
Found 99 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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n/an/a 1.40n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Compound was tested in vitro for its ability to displace radioligand (+)-[3H]-3-PPP from rat cortical sigma receptor

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50002334
PNG
(1-(4-Fluoro-phenyl)-4-(4-pyrimidin-2-yl-piperazin-...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C18H21FN4O/c19-16-6-4-15(5-7-16)17(24)3-1-10-22-11-13-23(14-12-22)18-20-8-2-9-21-18/h2,4-9H,1,3,10-14H2
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n/an/a 6n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of [3H]WB-4101 binding to rat cortical Alpha-1 adrenergic receptor in vitro

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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n/an/a 7n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against radioligand [3H]spiperone binding to rat striatal dopamine receptor D2

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50002330
PNG
(4-[4-(5-Chloro-pyrimidin-2-yl)-piperazin-1-yl]-1-(...)
Show SMILES OC(CCCN1CCN(CC1)c1ncc(Cl)cn1)c1ccc(F)cc1
Show InChI InChI=1S/C18H22ClFN4O/c19-15-12-21-18(22-13-15)24-10-8-23(9-11-24)7-1-2-17(25)14-3-5-16(20)6-4-14/h3-6,12-13,17,25H,1-2,7-11H2
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n/an/a 22n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of (+)-[3H]-3-PPP from rat cortical sigma site

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50002329
PNG
(1-(4-Fluoro-phenyl)-4-[4-(5-fluoro-pyrimidin-2-yl)...)
Show SMILES Fc1ccc(cc1)C(CCCN1CCN(CC1)c1ncc(F)cn1)N=O
Show InChI InChI=1S/C18H21F2N5O/c19-15-5-3-14(4-6-15)17(23-26)2-1-7-24-8-10-25(11-9-24)18-21-12-16(20)13-22-18/h3-6,12-13,17H,1-2,7-11H2
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n/an/a 22n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of [3H]WB-4101 binding to rat cortical Alpha-1 adrenergic receptor in vitro

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50002331
PNG
(4-[4-(5-Fluoro-4-methoxy-pyrimidin-2-yl)-piperazin...)
Show SMILES COc1nc(ncc1F)N1CCN(CCCC(O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C19H24F2N4O2/c1-27-18-16(21)13-22-19(23-18)25-11-9-24(10-12-25)8-2-3-17(26)14-4-6-15(20)7-5-14/h4-7,13,17,26H,2-3,8-12H2,1H3
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n/an/a 24n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of (+)-[3H]-3-PPP from rat cortical sigma site

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50002323
PNG
(4-[4-(5-Bromo-pyrimidin-2-yl)-piperazin-1-yl]-1-(4...)
Show SMILES OC(CCCN1CCN(CC1)c1ncc(Br)cn1)c1ccc(F)cc1
Show InChI InChI=1S/C18H22BrFN4O/c19-15-12-21-18(22-13-15)24-10-8-23(9-11-24)7-1-2-17(25)14-3-5-16(20)6-4-14/h3-6,12-13,17,25H,1-2,7-11H2
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n/an/a 26n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of (+)-[3H]-3-PPP from rat cortical sigma site

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50002322
PNG
(4-[4-(5-Fluoro-4-methylsulfanyl-pyrimidin-2-yl)-pi...)
Show SMILES CSc1nc(ncc1F)N1CCN(CCCC(O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C19H24F2N4OS/c1-27-18-16(21)13-22-19(23-18)25-11-9-24(10-12-25)8-2-3-17(26)14-4-6-15(20)7-5-14/h4-7,13,17,26H,2-3,8-12H2,1H3
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n/an/a 26n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of (+)-[3H]-3-PPP from rat cortical sigma site

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50036737
PNG
((R)-1-(4-Fluoro-phenyl)-4-[4-(5-fluoro-pyrimidin-2...)
Show SMILES O[C@H](CCCN1CCN(CC1)c1ncc(F)cn1)c1ccc(F)cc1
Show InChI InChI=1S/C18H22F2N4O/c19-15-5-3-14(4-6-15)17(25)2-1-7-23-8-10-24(11-9-23)18-21-12-16(20)13-22-18/h3-6,12-13,17,25H,1-2,7-11H2/t17-/m1/s1
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n/an/a 28n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibitory concentration against radioligand [3H]3-PPP binding to haloperidol-sensitive sigma binding site in whole guinea pig brain

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50002339
PNG
(1-(4-Fluoro-phenyl)-4-[4-(5-fluoro-pyrimidin-2-yl)...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ncc(F)cn1
Show InChI InChI=1S/C18H20F2N4O/c19-15-5-3-14(4-6-15)17(25)2-1-7-23-8-10-24(11-9-23)18-21-12-16(20)13-22-18/h3-6,12-13H,1-2,7-11H2
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n/an/a 29n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of [3H]WB-4101 binding to rat cortical Alpha-1 adrenergic receptor in vitro

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50036737
PNG
((R)-1-(4-Fluoro-phenyl)-4-[4-(5-fluoro-pyrimidin-2...)
Show SMILES O[C@H](CCCN1CCN(CC1)c1ncc(F)cn1)c1ccc(F)cc1
Show InChI InChI=1S/C18H22F2N4O/c19-15-5-3-14(4-6-15)17(25)2-1-7-23-8-10-24(11-9-23)18-21-12-16(20)13-22-18/h3-6,12-13,17,25H,1-2,7-11H2/t17-/m1/s1
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n/an/a 32n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibitory concentration against radioligand [3H]DTG binding to haloperidol-sensitive sigma binding site in whole guinea pig brain

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50036737
PNG
((R)-1-(4-Fluoro-phenyl)-4-[4-(5-fluoro-pyrimidin-2...)
Show SMILES O[C@H](CCCN1CCN(CC1)c1ncc(F)cn1)c1ccc(F)cc1
Show InChI InChI=1S/C18H22F2N4O/c19-15-5-3-14(4-6-15)17(25)2-1-7-23-8-10-24(11-9-23)18-21-12-16(20)13-22-18/h3-6,12-13,17,25H,1-2,7-11H2/t17-/m1/s1
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n/an/a 43n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibitory concentration against radioligand [3H](+)-NAN binding to haloperidol-sensitive sigma binding site in whole guinea pig brain

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50002335
PNG
(4-[4-(5-Chloro-pyrimidin-2-yl)-piperazin-1-yl]-1-(...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ncc(Cl)cn1
Show InChI InChI=1S/C18H20ClFN4O/c19-15-12-21-18(22-13-15)24-10-8-23(9-11-24)7-1-2-17(25)14-3-5-16(20)6-4-14/h3-6,12-13H,1-2,7-11H2
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n/an/a 51n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of [3H]WB-4101 binding to rat cortical Alpha-1 adrenergic receptor in vitro

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50002335
PNG
(4-[4-(5-Chloro-pyrimidin-2-yl)-piperazin-1-yl]-1-(...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ncc(Cl)cn1
Show InChI InChI=1S/C18H20ClFN4O/c19-15-12-21-18(22-13-15)24-10-8-23(9-11-24)7-1-2-17(25)14-3-5-16(20)6-4-14/h3-6,12-13H,1-2,7-11H2
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n/an/a 57n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of (+)-[3H]-3-PPP from rat cortical sigma site

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50002338
PNG
((Thioridazine)10-[2-(1-Methyl-piperidin-2-yl)-ethy...)
Show SMILES CSc1ccc2Sc3ccccc3N(CCC3CCCCN3C)c2c1
Show InChI InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3
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n/an/a 60n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
In vitro inhibitory against radioligand [3H]spiperone binding to rat striatal Dopamine receptor D2

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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n/an/a 62n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against radioligand [3H]WB-4101 binding to rat cortical alpha-1 adrenergic receptor

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50002338
PNG
((Thioridazine)10-[2-(1-Methyl-piperidin-2-yl)-ethy...)
Show SMILES CSc1ccc2Sc3ccccc3N(CCC3CCCCN3C)c2c1
Show InChI InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3
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n/an/a 65n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of [3H]WB-4101 binding to rat cortical Alpha-1 adrenergic receptor in vitro

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50002333
PNG
(1-(4-Fluoro-phenyl)-3-[4-(5-fluoro-pyrimidin-2-yl)...)
Show SMILES Fc1ccc(cc1)C(=O)CCN1CCN(CC1)c1ncc(F)cn1
Show InChI InChI=1S/C17H18F2N4O/c18-14-3-1-13(2-4-14)16(24)5-6-22-7-9-23(10-8-22)17-20-11-15(19)12-21-17/h1-4,11-12H,5-10H2
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n/an/a 69n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Compound was tested in vitro for its ability to displace radioligand (+)-[3H]-3-PPP from rat cortical sigma receptor

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50002320
PNG
(4-[4-(5-Bromo-pyrimidin-2-yl)-piperazin-1-yl]-1-(4...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ncc(Br)cn1
Show InChI InChI=1S/C18H20BrFN4O/c19-15-12-21-18(22-13-15)24-10-8-23(9-11-24)7-1-2-17(25)14-3-5-16(20)6-4-14/h3-6,12-13H,1-2,7-11H2
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n/an/a 72n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of [3H]WB-4101 binding to rat cortical Alpha-1 adrenergic receptor in vitro

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50002329
PNG
(1-(4-Fluoro-phenyl)-4-[4-(5-fluoro-pyrimidin-2-yl)...)
Show SMILES Fc1ccc(cc1)C(CCCN1CCN(CC1)c1ncc(F)cn1)N=O
Show InChI InChI=1S/C18H21F2N5O/c19-15-5-3-14(4-6-15)17(23-26)2-1-7-24-8-10-25(11-9-24)18-21-12-16(20)13-22-18/h3-6,12-13,17H,1-2,7-11H2
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n/an/a 81n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of (+)-[3H]-3-PPP from rat cortical sigma site

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50002238
PNG
((R)1-(4-Fluoro-phenyl)-4-[4-(5-fluoro-pyrimidin-2-...)
Show SMILES OC(CCCN1CCN(CC1)c1ncc(F)cn1)c1ccc(F)cc1
Show InChI InChI=1S/C18H22F2N4O/c19-15-5-3-14(4-6-15)17(25)2-1-7-23-8-10-24(11-9-23)18-21-12-16(20)13-22-18/h3-6,12-13,17,25H,1-2,7-11H2
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n/an/a 83n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibitory concentration against radioligand [3H](+)-NAN binding to haloperidol-sensitive sigma binding site in whole guinea pig brain

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50002320
PNG
(4-[4-(5-Bromo-pyrimidin-2-yl)-piperazin-1-yl]-1-(4...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ncc(Br)cn1
Show InChI InChI=1S/C18H20BrFN4O/c19-15-12-21-18(22-13-15)24-10-8-23(9-11-24)7-1-2-17(25)14-3-5-16(20)6-4-14/h3-6,12-13H,1-2,7-11H2
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Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of (+)-[3H]-3-PPP from rat cortical sigma site

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50002328
PNG
(4-[4-(5-Fluoro-4-methylsulfanyl-pyrimidin-2-yl)-pi...)
Show SMILES CSc1nc(ncc1F)N1CCN(CCCC(=O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C19H22F2N4OS/c1-27-18-16(21)13-22-19(23-18)25-11-9-24(10-12-25)8-2-3-17(26)14-4-6-15(20)7-5-14/h4-7,13H,2-3,8-12H2,1H3
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Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of [3H]WB-4101 binding to rat cortical Alpha-1 adrenergic receptor in vitro

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50002336
PNG
(2-(4-Fluoro-phenyl)-5-[4-(5-fluoro-pyrimidin-2-yl)...)
Show SMILES CC(O)(CCCN1CCN(CC1)c1ncc(F)cn1)c1ccc(F)cc1
Show InChI InChI=1S/C19H24F2N4O/c1-19(26,15-3-5-16(20)6-4-15)7-2-8-24-9-11-25(12-10-24)18-22-13-17(21)14-23-18/h3-6,13-14,26H,2,7-12H2,1H3
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Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of (+)-[3H]-3-PPP from rat cortical sigma site

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50002238
PNG
((R)1-(4-Fluoro-phenyl)-4-[4-(5-fluoro-pyrimidin-2-...)
Show SMILES OC(CCCN1CCN(CC1)c1ncc(F)cn1)c1ccc(F)cc1
Show InChI InChI=1S/C18H22F2N4O/c19-15-5-3-14(4-6-15)17(25)2-1-7-23-8-10-24(11-9-23)18-21-12-16(20)13-22-18/h3-6,12-13,17,25H,1-2,7-11H2
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Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibitory concentration against radioligand [3H]3-PPP binding to haloperidol-sensitive sigma binding site in whole guinea pig brain

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50002238
PNG
((R)1-(4-Fluoro-phenyl)-4-[4-(5-fluoro-pyrimidin-2-...)
Show SMILES OC(CCCN1CCN(CC1)c1ncc(F)cn1)c1ccc(F)cc1
Show InChI InChI=1S/C18H22F2N4O/c19-15-5-3-14(4-6-15)17(25)2-1-7-23-8-10-24(11-9-23)18-21-12-16(20)13-22-18/h3-6,12-13,17,25H,1-2,7-11H2
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Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of (+)-[3H]-3-PPP from rat cortical sigma site

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50002328
PNG
(4-[4-(5-Fluoro-4-methylsulfanyl-pyrimidin-2-yl)-pi...)
Show SMILES CSc1nc(ncc1F)N1CCN(CCCC(=O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C19H22F2N4OS/c1-27-18-16(21)13-22-19(23-18)25-11-9-24(10-12-25)8-2-3-17(26)14-4-6-15(20)7-5-14/h4-7,13H,2-3,8-12H2,1H3
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Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of (+)-[3H]-3-PPP from rat cortical sigma site

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50002337
PNG
(1-(4-Fluoro-phenyl)-4-(4-pyrimidin-2-yl-piperazin-...)
Show SMILES OC(CCCN1CCN(CC1)c1ncccn1)c1ccc(F)cc1
Show InChI InChI=1S/C18H23FN4O/c19-16-6-4-15(5-7-16)17(24)3-1-10-22-11-13-23(14-12-22)18-20-8-2-9-21-18/h2,4-9,17,24H,1,3,10-14H2
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Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of (+)-[3H]-3-PPP from rat cortical sigma site

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50002339
PNG
(1-(4-Fluoro-phenyl)-4-[4-(5-fluoro-pyrimidin-2-yl)...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ncc(F)cn1
Show InChI InChI=1S/C18H20F2N4O/c19-15-5-3-14(4-6-15)17(25)2-1-7-23-8-10-24(11-9-23)18-21-12-16(20)13-22-18/h3-6,12-13H,1-2,7-11H2
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Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of (+)-[3H]-3-PPP from rat cortical sigma site

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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n/an/a 130n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against radioligand [3H]WB-4101 binding to rat cortical alpha-1 adrenergic receptor

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50036736
PNG
((S)-1-(4-Fluoro-phenyl)-4-[4-(5-fluoro-pyrimidin-2...)
Show SMILES O[C@@H](CCCN1CCN(CC1)c1ncc(F)cn1)c1ccc(F)cc1
Show InChI InChI=1S/C18H22F2N4O/c19-15-5-3-14(4-6-15)17(25)2-1-7-23-8-10-24(11-9-23)18-21-12-16(20)13-22-18/h3-6,12-13,17,25H,1-2,7-11H2/t17-/m0/s1
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Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibitory concentration against radioligand [3H]DTG binding to haloperidol-sensitive sigma binding site in whole guinea pig brain

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50002340
PNG
(1-(4-Fluoro-phenyl)-3-[4-(5-fluoro-pyrimidin-2-yl)...)
Show SMILES OC(CCN1CCN(CC1)c1ncc(F)cn1)c1ccc(F)cc1
Show InChI InChI=1S/C17H20F2N4O/c18-14-3-1-13(2-4-14)16(24)5-6-22-7-9-23(10-8-22)17-20-11-15(19)12-21-17/h1-4,11-12,16,24H,5-10H2
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Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of (+)-[3H]-3-PPP from rat cortical sigma site

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50002337
PNG
(1-(4-Fluoro-phenyl)-4-(4-pyrimidin-2-yl-piperazin-...)
Show SMILES OC(CCCN1CCN(CC1)c1ncccn1)c1ccc(F)cc1
Show InChI InChI=1S/C18H23FN4O/c19-16-6-4-15(5-7-16)17(24)3-1-10-22-11-13-23(14-12-22)18-20-8-2-9-21-18/h2,4-9,17,24H,1,3,10-14H2
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Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of [3H]WB-4101 binding to rat cortical Alpha-1 adrenergic receptor in vitro

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50002331
PNG
(4-[4-(5-Fluoro-4-methoxy-pyrimidin-2-yl)-piperazin...)
Show SMILES COc1nc(ncc1F)N1CCN(CCCC(O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C19H24F2N4O2/c1-27-18-16(21)13-22-19(23-18)25-11-9-24(10-12-25)8-2-3-17(26)14-4-6-15(20)7-5-14/h4-7,13,17,26H,2-3,8-12H2,1H3
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Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of [3H]WB-4101 binding to rat cortical Alpha-1 adrenergic receptor in vitro

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50002317
PNG
(2-(4-Fluoro-phenyl)-5-[4-(5-fluoro-pyrimidin-2-yl)...)
Show SMILES Fc1ccc(cc1)C(CCCN1CCN(CC1)c1ncc(F)cn1)C#N
Show InChI InChI=1S/C19H21F2N5/c20-17-5-3-15(4-6-17)16(12-22)2-1-7-25-8-10-26(11-9-25)19-23-13-18(21)14-24-19/h3-6,13-14,16H,1-2,7-11H2
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Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of (+)-[3H]-3-PPP from rat cortical sigma site

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50002318
PNG
(1,1-Bis-(4-fluoro-phenyl)-4-(4-pyrimidin-2-yl-pipe...)
Show SMILES OC(CCCN1CCN(CC1)c1ncccn1)(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C24H26F2N4O/c25-21-7-3-19(4-8-21)24(31,20-5-9-22(26)10-6-20)11-1-14-29-15-17-30(18-16-29)23-27-12-2-13-28-23/h2-10,12-13,31H,1,11,14-18H2
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n/an/a 200n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
In vitro inhibitory against radioligand [3H]spiperone binding to rat striatal Dopamine receptor D2

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50036737
PNG
((R)-1-(4-Fluoro-phenyl)-4-[4-(5-fluoro-pyrimidin-2...)
Show SMILES O[C@H](CCCN1CCN(CC1)c1ncc(F)cn1)c1ccc(F)cc1
Show InChI InChI=1S/C18H22F2N4O/c19-15-5-3-14(4-6-15)17(25)2-1-7-23-8-10-24(11-9-23)18-21-12-16(20)13-22-18/h3-6,12-13,17,25H,1-2,7-11H2/t17-/m1/s1
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Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibitory concentration against radioligand [3H]8-OH-DPAT binding to rat hippocampal 5-hydroxytryptamine 1A receptor

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50002327
PNG
(3-(4-Fluoro-phenyl)-6-(4-pyrimidin-2-yl-piperazin-...)
Show SMILES CCC(O)(CCCN1CCN(CC1)c1ncccn1)c1ccc(F)cc1
Show InChI InChI=1S/C20H27FN4O/c1-2-20(26,17-5-7-18(21)8-6-17)9-3-12-24-13-15-25(16-14-24)19-22-10-4-11-23-19/h4-8,10-11,26H,2-3,9,12-16H2,1H3
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Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of [3H]WB-4101 binding to rat cortical Alpha-1 adrenergic receptor in vitro

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50002317
PNG
(2-(4-Fluoro-phenyl)-5-[4-(5-fluoro-pyrimidin-2-yl)...)
Show SMILES Fc1ccc(cc1)C(CCCN1CCN(CC1)c1ncc(F)cn1)C#N
Show InChI InChI=1S/C19H21F2N5/c20-17-5-3-15(4-6-17)16(12-22)2-1-7-25-8-10-26(11-9-25)19-23-13-18(21)14-24-19/h3-6,13-14,16H,1-2,7-11H2
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Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of [3H]WB-4101 binding to rat cortical Alpha-1 adrenergic receptor in vitro

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50002322
PNG
(4-[4-(5-Fluoro-4-methylsulfanyl-pyrimidin-2-yl)-pi...)
Show SMILES CSc1nc(ncc1F)N1CCN(CCCC(O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C19H24F2N4OS/c1-27-18-16(21)13-22-19(23-18)25-11-9-24(10-12-25)8-2-3-17(26)14-4-6-15(20)7-5-14/h4-7,13,17,26H,2-3,8-12H2,1H3
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Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of [3H]WB-4101 binding to rat cortical Alpha-1 adrenergic receptor in vitro

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50036736
PNG
((S)-1-(4-Fluoro-phenyl)-4-[4-(5-fluoro-pyrimidin-2...)
Show SMILES O[C@@H](CCCN1CCN(CC1)c1ncc(F)cn1)c1ccc(F)cc1
Show InChI InChI=1S/C18H22F2N4O/c19-15-5-3-14(4-6-15)17(25)2-1-7-23-8-10-24(11-9-23)18-21-12-16(20)13-22-18/h3-6,12-13,17,25H,1-2,7-11H2/t17-/m0/s1
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Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibitory concentration against radioligand [3H]3-PPP binding to haloperidol-sensitive sigma binding site in whole guinea pig brain

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50002238
PNG
((R)1-(4-Fluoro-phenyl)-4-[4-(5-fluoro-pyrimidin-2-...)
Show SMILES OC(CCCN1CCN(CC1)c1ncc(F)cn1)c1ccc(F)cc1
Show InChI InChI=1S/C18H22F2N4O/c19-15-5-3-14(4-6-15)17(25)2-1-7-23-8-10-24(11-9-23)18-21-12-16(20)13-22-18/h3-6,12-13,17,25H,1-2,7-11H2
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Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibitory concentration against radioligand [3H]8-OH-DPAT binding to rat hippocampal 5-hydroxytryptamine 1A receptor

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50036736
PNG
((S)-1-(4-Fluoro-phenyl)-4-[4-(5-fluoro-pyrimidin-2...)
Show SMILES O[C@@H](CCCN1CCN(CC1)c1ncc(F)cn1)c1ccc(F)cc1
Show InChI InChI=1S/C18H22F2N4O/c19-15-5-3-14(4-6-15)17(25)2-1-7-23-8-10-24(11-9-23)18-21-12-16(20)13-22-18/h3-6,12-13,17,25H,1-2,7-11H2/t17-/m0/s1
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Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibitory concentration against radioligand [3H]8-OH-DPAT binding to rat hippocampal 5-hydroxytryptamine 1A receptor

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50002321
PNG
(3-(4-Fluoro-phenyl)-6-[4-(5-fluoro-pyrimidin-2-yl)...)
Show SMILES CCC(O)(CCCN1CCN(CC1)c1ncc(F)cn1)c1ccc(F)cc1
Show InChI InChI=1S/C20H26F2N4O/c1-2-20(27,16-4-6-17(21)7-5-16)8-3-9-25-10-12-26(13-11-25)19-23-14-18(22)15-24-19/h4-7,14-15,27H,2-3,8-13H2,1H3
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Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of (+)-[3H]-3-PPP from rat cortical sigma site

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50002325
PNG
(2-{4-[3,4-Bis-(4-fluoro-phenyl)-but-3-enyl]-pipera...)
Show SMILES Fc1ccc(\C=C(/CCN2CCN(CC2)c2ncccn2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C24H24F2N4/c25-22-6-2-19(3-7-22)18-21(20-4-8-23(26)9-5-20)10-13-29-14-16-30(17-15-29)24-27-11-1-12-28-24/h1-9,11-12,18H,10,13-17H2/b21-18+
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Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of [3H]WB-4101 binding to rat cortical Alpha-1 adrenergic receptor in vitro

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50002328
PNG
(4-[4-(5-Fluoro-4-methylsulfanyl-pyrimidin-2-yl)-pi...)
Show SMILES CSc1nc(ncc1F)N1CCN(CCCC(=O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C19H22F2N4OS/c1-27-18-16(21)13-22-19(23-18)25-11-9-24(10-12-25)8-2-3-17(26)14-4-6-15(20)7-5-14/h4-7,13H,2-3,8-12H2,1H3
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Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
In vitro inhibitory against radioligand [3H]spiperone binding to rat striatal Dopamine receptor D2

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50002318
PNG
(1,1-Bis-(4-fluoro-phenyl)-4-(4-pyrimidin-2-yl-pipe...)
Show SMILES OC(CCCN1CCN(CC1)c1ncccn1)(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C24H26F2N4O/c25-21-7-3-19(4-8-21)24(31,20-5-9-22(26)10-6-20)11-1-14-29-15-17-30(18-16-29)23-27-12-2-13-28-23/h2-10,12-13,31H,1,11,14-18H2
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Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of [3H]WB-4101 binding to rat cortical Alpha-1 adrenergic receptor in vitro

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50002327
PNG
(3-(4-Fluoro-phenyl)-6-(4-pyrimidin-2-yl-piperazin-...)
Show SMILES CCC(O)(CCCN1CCN(CC1)c1ncccn1)c1ccc(F)cc1
Show InChI InChI=1S/C20H27FN4O/c1-2-20(26,17-5-7-18(21)8-6-17)9-3-12-24-13-15-25(16-14-24)19-22-10-4-11-23-19/h4-8,10-11,26H,2-3,9,12-16H2,1H3
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Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
In vitro inhibitory against radioligand [3H]spiperone binding to rat striatal Dopamine receptor D2

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50036736
PNG
((S)-1-(4-Fluoro-phenyl)-4-[4-(5-fluoro-pyrimidin-2...)
Show SMILES O[C@@H](CCCN1CCN(CC1)c1ncc(F)cn1)c1ccc(F)cc1
Show InChI InChI=1S/C18H22F2N4O/c19-15-5-3-14(4-6-15)17(25)2-1-7-23-8-10-24(11-9-23)18-21-12-16(20)13-22-18/h3-6,12-13,17,25H,1-2,7-11H2/t17-/m0/s1
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Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibitory concentration against radioligand [3H](+)-NAN binding to haloperidol-sensitive sigma binding site in whole guinea pig brain

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50002334
PNG
(1-(4-Fluoro-phenyl)-4-(4-pyrimidin-2-yl-piperazin-...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C18H21FN4O/c19-16-6-4-15(5-7-16)17(24)3-1-10-22-11-13-23(14-12-22)18-20-8-2-9-21-18/h2,4-9H,1,3,10-14H2
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Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of (+)-[3H]-3-PPP from rat cortical sigma site

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against radioligand [3H]spiperone binding to rat striatal dopamine receptor D2

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50002319
PNG
(1-(4-Fluoro-phenyl)-4-[4-(5-fluoro-pyrimidin-2-yl)...)
Show SMILES NC(CCCN1CCN(CC1)c1ncc(F)cn1)c1ccc(F)cc1
Show InChI InChI=1S/C18H23F2N5/c19-15-5-3-14(4-6-15)17(21)2-1-7-24-8-10-25(11-9-24)18-22-12-16(20)13-23-18/h3-6,12-13,17H,1-2,7-11,21H2
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Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of [3H]WB-4101 binding to rat cortical Alpha-1 adrenergic receptor in vitro

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50002238
PNG
((R)1-(4-Fluoro-phenyl)-4-[4-(5-fluoro-pyrimidin-2-...)
Show SMILES OC(CCCN1CCN(CC1)c1ncc(F)cn1)c1ccc(F)cc1
Show InChI InChI=1S/C18H22F2N4O/c19-15-5-3-14(4-6-15)17(25)2-1-7-23-8-10-24(11-9-23)18-21-12-16(20)13-22-18/h3-6,12-13,17,25H,1-2,7-11H2
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Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibitory concentration against radioligand [3H](+)-NAN binding to haloperidol-sensitive sigma binding site in whole guinea pig brain

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50002339
PNG
(1-(4-Fluoro-phenyl)-4-[4-(5-fluoro-pyrimidin-2-yl)...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ncc(F)cn1
Show InChI InChI=1S/C18H20F2N4O/c19-15-5-3-14(4-6-15)17(25)2-1-7-23-8-10-24(11-9-23)18-21-12-16(20)13-22-18/h3-6,12-13H,1-2,7-11H2
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Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
In vitro inhibitory against radioligand [3H]spiperone binding to rat striatal Dopamine receptor D2

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50002238
PNG
((R)1-(4-Fluoro-phenyl)-4-[4-(5-fluoro-pyrimidin-2-...)
Show SMILES OC(CCCN1CCN(CC1)c1ncc(F)cn1)c1ccc(F)cc1
Show InChI InChI=1S/C18H22F2N4O/c19-15-5-3-14(4-6-15)17(25)2-1-7-23-8-10-24(11-9-23)18-21-12-16(20)13-22-18/h3-6,12-13,17,25H,1-2,7-11H2
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Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of [3H]WB-4101 binding to rat cortical Alpha-1 adrenergic receptor in vitro

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50002333
PNG
(1-(4-Fluoro-phenyl)-3-[4-(5-fluoro-pyrimidin-2-yl)...)
Show SMILES Fc1ccc(cc1)C(=O)CCN1CCN(CC1)c1ncc(F)cn1
Show InChI InChI=1S/C17H18F2N4O/c18-14-3-1-13(2-4-14)16(24)5-6-22-7-9-23(10-8-22)17-20-11-15(19)12-21-17/h1-4,11-12H,5-10H2
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Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against radioligand [3H]WB-4101 binding to rat cortical alpha-1 adrenergic receptor

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50036736
PNG
((S)-1-(4-Fluoro-phenyl)-4-[4-(5-fluoro-pyrimidin-2...)
Show SMILES O[C@@H](CCCN1CCN(CC1)c1ncc(F)cn1)c1ccc(F)cc1
Show InChI InChI=1S/C18H22F2N4O/c19-15-5-3-14(4-6-15)17(25)2-1-7-23-8-10-24(11-9-23)18-21-12-16(20)13-22-18/h3-6,12-13,17,25H,1-2,7-11H2/t17-/m0/s1
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Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibitory concentration against radioligand [3H]-WB- 4101 binding to rat cortical Alpha-1 adrenergic receptor

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50036737
PNG
((R)-1-(4-Fluoro-phenyl)-4-[4-(5-fluoro-pyrimidin-2...)
Show SMILES O[C@H](CCCN1CCN(CC1)c1ncc(F)cn1)c1ccc(F)cc1
Show InChI InChI=1S/C18H22F2N4O/c19-15-5-3-14(4-6-15)17(25)2-1-7-23-8-10-24(11-9-23)18-21-12-16(20)13-22-18/h3-6,12-13,17,25H,1-2,7-11H2/t17-/m1/s1
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Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibitory concentration against radioligand [3H]3-PPP binding to haloperidol-sensitive sigma binding site in whole guinea pig brain

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50002334
PNG
(1-(4-Fluoro-phenyl)-4-(4-pyrimidin-2-yl-piperazin-...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C18H21FN4O/c19-16-6-4-15(5-7-16)17(24)3-1-10-22-11-13-23(14-12-22)18-20-8-2-9-21-18/h2,4-9H,1,3,10-14H2
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Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
In vitro inhibitory against radioligand [3H]spiperone binding to rat striatal Dopamine receptor D2

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50002338
PNG
((Thioridazine)10-[2-(1-Methyl-piperidin-2-yl)-ethy...)
Show SMILES CSc1ccc2Sc3ccccc3N(CCC3CCCCN3C)c2c1
Show InChI InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3
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Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of (+)-[3H]-3-PPP from rat cortical sigma site

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50002332
PNG
(2-{4-[3,4-Bis-(4-fluoro-phenyl)-but-3-enyl]-pipera...)
Show SMILES Fc1ccc(\C=C(/CCN2CCN(CC2)c2ncc(F)cn2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C24H23F3N4/c25-21-5-1-18(2-6-21)15-20(19-3-7-22(26)8-4-19)9-10-30-11-13-31(14-12-30)24-28-16-23(27)17-29-24/h1-8,15-17H,9-14H2/b20-15+
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Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of [3H]WB-4101 binding to rat cortical Alpha-1 adrenergic receptor in vitro

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50002340
PNG
(1-(4-Fluoro-phenyl)-3-[4-(5-fluoro-pyrimidin-2-yl)...)
Show SMILES OC(CCN1CCN(CC1)c1ncc(F)cn1)c1ccc(F)cc1
Show InChI InChI=1S/C17H20F2N4O/c18-14-3-1-13(2-4-14)16(24)5-6-22-7-9-23(10-8-22)17-20-11-15(19)12-21-17/h1-4,11-12,16,24H,5-10H2
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n/an/a 814n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of [3H]WB-4101 binding to rat cortical Alpha-1 adrenergic receptor in vitro

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50002335
PNG
(4-[4-(5-Chloro-pyrimidin-2-yl)-piperazin-1-yl]-1-(...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ncc(Cl)cn1
Show InChI InChI=1S/C18H20ClFN4O/c19-15-12-21-18(22-13-15)24-10-8-23(9-11-24)7-1-2-17(25)14-3-5-16(20)6-4-14/h3-6,12-13H,1-2,7-11H2
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n/an/a 817n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
In vitro inhibitory against radioligand [3H]spiperone binding to rat striatal Dopamine receptor D2

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50002326
PNG
(1,1-Bis-(4-fluoro-phenyl)-4-[4-(5-fluoro-pyrimidin...)
Show SMILES OC(CCCN1CCN(CC1)c1ncc(F)cn1)(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C24H25F3N4O/c25-20-6-2-18(3-7-20)24(32,19-4-8-21(26)9-5-19)10-1-11-30-12-14-31(15-13-30)23-28-16-22(27)17-29-23/h2-9,16-17,32H,1,10-15H2
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n/an/a 940n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
In vitro inhibitory against radioligand [3H]spiperone binding to rat striatal Dopamine receptor D2

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50002324
PNG
(5-Fluoro-2-{4-[4-(4-fluoro-phenyl)-4-hydroxy-butyl...)
Show SMILES OC(CCCN1CCN(CC1)c1ncc(F)c(=O)[nH]1)c1ccc(F)cc1
Show InChI InChI=1S/C18H22F2N4O2/c19-14-5-3-13(4-6-14)16(25)2-1-7-23-8-10-24(11-9-23)18-21-12-15(20)17(26)22-18/h3-6,12,16,25H,1-2,7-11H2,(H,21,22,26)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of (+)-[3H]-3-PPP from rat cortical sigma site

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50002326
PNG
(1,1-Bis-(4-fluoro-phenyl)-4-[4-(5-fluoro-pyrimidin...)
Show SMILES OC(CCCN1CCN(CC1)c1ncc(F)cn1)(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C24H25F3N4O/c25-20-6-2-18(3-7-20)24(32,19-4-8-21(26)9-5-19)10-1-11-30-12-14-31(15-13-30)23-28-16-22(27)17-29-23/h2-9,16-17,32H,1,10-15H2
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n/an/a>1.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of (+)-[3H]-3-PPP from rat cortical sigma site

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50002322
PNG
(4-[4-(5-Fluoro-4-methylsulfanyl-pyrimidin-2-yl)-pi...)
Show SMILES CSc1nc(ncc1F)N1CCN(CCCC(O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C19H24F2N4OS/c1-27-18-16(21)13-22-19(23-18)25-11-9-24(10-12-25)8-2-3-17(26)14-4-6-15(20)7-5-14/h4-7,13,17,26H,2-3,8-12H2,1H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
In vitro inhibitory against radioligand [3H]spiperone binding to rat striatal Dopamine receptor D2

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor


(Rattus norvegicus (Rat))		BDBM50002238
PNG
((R)1-(4-Fluoro-phenyl)-4-[4-(5-fluoro-pyrimidin-2-...)
Show SMILES OC(CCCN1CCN(CC1)c1ncc(F)cn1)c1ccc(F)cc1
Show InChI InChI=1S/C18H22F2N4O/c19-15-5-3-14(4-6-15)17(25)2-1-7-23-8-10-24(11-9-23)18-21-12-16(20)13-22-18/h3-6,12-13,17,25H,1-2,7-11H2
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n/an/a>1.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibitory concentration against radioligand [3H]dihydroalprenolol binding to Beta adrenergic receptor in rat cortex

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50002321
PNG
(3-(4-Fluoro-phenyl)-6-[4-(5-fluoro-pyrimidin-2-yl)...)
Show SMILES CCC(O)(CCCN1CCN(CC1)c1ncc(F)cn1)c1ccc(F)cc1
Show InChI InChI=1S/C20H26F2N4O/c1-2-20(27,16-4-6-17(21)7-5-16)8-3-9-25-10-12-26(13-11-25)19-23-14-18(22)15-24-19/h4-7,14-15,27H,2-3,8-13H2,1H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of [3H]WB-4101 binding to rat cortical Alpha-1 adrenergic receptor in vitro

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Compound was tested in vitro for its ability to displace radioligand (+)-[3H]-3-PPP from rat cortical sigma receptor

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50002324
PNG
(5-Fluoro-2-{4-[4-(4-fluoro-phenyl)-4-hydroxy-butyl...)
Show SMILES OC(CCCN1CCN(CC1)c1ncc(F)c(=O)[nH]1)c1ccc(F)cc1
Show InChI InChI=1S/C18H22F2N4O2/c19-14-5-3-13(4-6-14)16(25)2-1-7-23-8-10-24(11-9-23)18-21-12-15(20)17(26)22-18/h3-6,12,16,25H,1-2,7-11H2,(H,21,22,26)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
In vitro inhibitory against radioligand [3H]spiperone binding to rat striatal Dopamine receptor D2

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)		BDBM50002238
PNG
((R)1-(4-Fluoro-phenyl)-4-[4-(5-fluoro-pyrimidin-2-...)
Show SMILES OC(CCCN1CCN(CC1)c1ncc(F)cn1)c1ccc(F)cc1
Show InChI InChI=1S/C18H22F2N4O/c19-15-5-3-14(4-6-15)17(25)2-1-7-23-8-10-24(11-9-23)18-21-12-16(20)13-22-18/h3-6,12-13,17,25H,1-2,7-11H2
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n/an/a>1.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibitory concentration against radioligand [3H]-SCH- 23390 binding to Dopamine receptor D1 receptors in rat striatum

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50002323
PNG
(4-[4-(5-Bromo-pyrimidin-2-yl)-piperazin-1-yl]-1-(4...)
Show SMILES OC(CCCN1CCN(CC1)c1ncc(Br)cn1)c1ccc(F)cc1
Show InChI InChI=1S/C18H22BrFN4O/c19-15-12-21-18(22-13-15)24-10-8-23(9-11-24)7-1-2-17(25)14-3-5-16(20)6-4-14/h3-6,12-13,17,25H,1-2,7-11H2
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n/an/a>1.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
In vitro inhibitory against radioligand [3H]spiperone binding to rat striatal Dopamine receptor D2

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50002318
PNG
(1,1-Bis-(4-fluoro-phenyl)-4-(4-pyrimidin-2-yl-pipe...)
Show SMILES OC(CCCN1CCN(CC1)c1ncccn1)(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C24H26F2N4O/c25-21-7-3-19(4-8-21)24(31,20-5-9-22(26)10-6-20)11-1-14-29-15-17-30(18-16-29)23-27-12-2-13-28-23/h2-10,12-13,31H,1,11,14-18H2
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n/an/a>1.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of (+)-[3H]-3-PPP from rat cortical sigma site

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50002324
PNG
(5-Fluoro-2-{4-[4-(4-fluoro-phenyl)-4-hydroxy-butyl...)
Show SMILES OC(CCCN1CCN(CC1)c1ncc(F)c(=O)[nH]1)c1ccc(F)cc1
Show InChI InChI=1S/C18H22F2N4O2/c19-14-5-3-13(4-6-14)16(25)2-1-7-23-8-10-24(11-9-23)18-21-12-15(20)17(26)22-18/h3-6,12,16,25H,1-2,7-11H2,(H,21,22,26)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of [3H]WB-4101 binding to rat cortical Alpha-1 adrenergic receptor in vitro

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit gamma-1


(Rattus norvegicus)		BDBM50002238
PNG
((R)1-(4-Fluoro-phenyl)-4-[4-(5-fluoro-pyrimidin-2-...)
Show SMILES OC(CCCN1CCN(CC1)c1ncc(F)cn1)c1ccc(F)cc1
Show InChI InChI=1S/C18H22F2N4O/c19-15-5-3-14(4-6-15)17(25)2-1-7-23-8-10-24(11-9-23)18-21-12-16(20)13-22-18/h3-6,12-13,17,25H,1-2,7-11H2
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n/an/a>1.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of [3H]muscimol binding to GABA-A of rat cerebellum

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50002332
PNG
(2-{4-[3,4-Bis-(4-fluoro-phenyl)-but-3-enyl]-pipera...)
Show SMILES Fc1ccc(\C=C(/CCN2CCN(CC2)c2ncc(F)cn2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C24H23F3N4/c25-21-5-1-18(2-6-21)15-20(19-3-7-22(26)8-4-19)9-10-30-11-13-31(14-12-30)24-28-16-23(27)17-29-24/h1-8,15-17H,9-14H2/b20-15+
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n/an/a>1.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of (+)-[3H]-3-PPP from rat cortical sigma site

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))		BDBM50002238
PNG
((R)1-(4-Fluoro-phenyl)-4-[4-(5-fluoro-pyrimidin-2-...)
Show SMILES OC(CCCN1CCN(CC1)c1ncc(F)cn1)c1ccc(F)cc1
Show InChI InChI=1S/C18H22F2N4O/c19-15-5-3-14(4-6-15)17(25)2-1-7-23-8-10-24(11-9-23)18-21-12-16(20)13-22-18/h3-6,12-13,17,25H,1-2,7-11H2
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n/an/a>1.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibitory concentration against radioligand [3H]clonidine binding to Alpha-2 adrenergic receptor in rat cortex

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50002319
PNG
(1-(4-Fluoro-phenyl)-4-[4-(5-fluoro-pyrimidin-2-yl)...)
Show SMILES NC(CCCN1CCN(CC1)c1ncc(F)cn1)c1ccc(F)cc1
Show InChI InChI=1S/C18H23F2N5/c19-15-5-3-14(4-6-15)17(21)2-1-7-24-8-10-25(11-9-24)18-22-12-16(20)13-23-18/h3-6,12-13,17H,1-2,7-11,21H2
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Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
In vitro inhibitory against radioligand [3H]spiperone binding to rat striatal Dopamine receptor D2

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50036737
PNG
((R)-1-(4-Fluoro-phenyl)-4-[4-(5-fluoro-pyrimidin-2...)
Show SMILES O[C@H](CCCN1CCN(CC1)c1ncc(F)cn1)c1ccc(F)cc1
Show InChI InChI=1S/C18H22F2N4O/c19-15-5-3-14(4-6-15)17(25)2-1-7-23-8-10-24(11-9-23)18-21-12-16(20)13-22-18/h3-6,12-13,17,25H,1-2,7-11H2/t17-/m1/s1
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Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibitory concentration against radioligand [3H]spiperone binding to rat striatal Dopamine receptor D2

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50002340
PNG
(1-(4-Fluoro-phenyl)-3-[4-(5-fluoro-pyrimidin-2-yl)...)
Show SMILES OC(CCN1CCN(CC1)c1ncc(F)cn1)c1ccc(F)cc1
Show InChI InChI=1S/C17H20F2N4O/c18-14-3-1-13(2-4-14)16(24)5-6-22-7-9-23(10-8-22)17-20-11-15(19)12-21-17/h1-4,11-12,16,24H,5-10H2
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Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
In vitro inhibitory against radioligand [3H]spiperone binding to rat striatal Dopamine receptor D2

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50036736
PNG
((S)-1-(4-Fluoro-phenyl)-4-[4-(5-fluoro-pyrimidin-2...)
Show SMILES O[C@@H](CCCN1CCN(CC1)c1ncc(F)cn1)c1ccc(F)cc1
Show InChI InChI=1S/C18H22F2N4O/c19-15-5-3-14(4-6-15)17(25)2-1-7-23-8-10-24(11-9-23)18-21-12-16(20)13-22-18/h3-6,12-13,17,25H,1-2,7-11H2/t17-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibitory concentration against radioligand [3H]spiperone binding to rat striatal Dopamine receptor D2

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50002333
PNG
(1-(4-Fluoro-phenyl)-3-[4-(5-fluoro-pyrimidin-2-yl)...)
Show SMILES Fc1ccc(cc1)C(=O)CCN1CCN(CC1)c1ncc(F)cn1
Show InChI InChI=1S/C17H18F2N4O/c18-14-3-1-13(2-4-14)16(24)5-6-22-7-9-23(10-8-22)17-20-11-15(19)12-21-17/h1-4,11-12H,5-10H2
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n/an/a>1.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against radioligand [3H]spiperone binding to rat striatal dopamine receptor D2

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50002325
PNG
(2-{4-[3,4-Bis-(4-fluoro-phenyl)-but-3-enyl]-pipera...)
Show SMILES Fc1ccc(\C=C(/CCN2CCN(CC2)c2ncccn2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C24H24F2N4/c25-22-6-2-19(3-7-22)18-21(20-4-8-23(26)9-5-20)10-13-29-14-16-30(17-15-29)24-27-11-1-12-28-24/h1-9,11-12,18H,10,13-17H2/b21-18+
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n/an/a>1.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of (+)-[3H]-3-PPP from rat cortical sigma site

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50002326
PNG
(1,1-Bis-(4-fluoro-phenyl)-4-[4-(5-fluoro-pyrimidin...)
Show SMILES OC(CCCN1CCN(CC1)c1ncc(F)cn1)(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C24H25F3N4O/c25-20-6-2-18(3-7-20)24(32,19-4-8-21(26)9-5-19)10-1-11-30-12-14-31(15-13-30)23-28-16-22(27)17-29-23/h2-9,16-17,32H,1,10-15H2
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n/an/a 1.14E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of [3H]WB-4101 binding to rat cortical Alpha-1 adrenergic receptor in vitro

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50002337
PNG
(1-(4-Fluoro-phenyl)-4-(4-pyrimidin-2-yl-piperazin-...)
Show SMILES OC(CCCN1CCN(CC1)c1ncccn1)c1ccc(F)cc1
Show InChI InChI=1S/C18H23FN4O/c19-16-6-4-15(5-7-16)17(24)3-1-10-22-11-13-23(14-12-22)18-20-8-2-9-21-18/h2,4-9,17,24H,1,3,10-14H2
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n/an/a 1.38E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
In vitro inhibitory against radioligand [3H]spiperone binding to rat striatal Dopamine receptor D2

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50002330
PNG
(4-[4-(5-Chloro-pyrimidin-2-yl)-piperazin-1-yl]-1-(...)
Show SMILES OC(CCCN1CCN(CC1)c1ncc(Cl)cn1)c1ccc(F)cc1
Show InChI InChI=1S/C18H22ClFN4O/c19-15-12-21-18(22-13-15)24-10-8-23(9-11-24)7-1-2-17(25)14-3-5-16(20)6-4-14/h3-6,12-13,17,25H,1-2,7-11H2
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n/an/a 1.42E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of [3H]WB-4101 binding to rat cortical Alpha-1 adrenergic receptor in vitro

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50002323
PNG
(4-[4-(5-Bromo-pyrimidin-2-yl)-piperazin-1-yl]-1-(4...)
Show SMILES OC(CCCN1CCN(CC1)c1ncc(Br)cn1)c1ccc(F)cc1
Show InChI InChI=1S/C18H22BrFN4O/c19-15-12-21-18(22-13-15)24-10-8-23(9-11-24)7-1-2-17(25)14-3-5-16(20)6-4-14/h3-6,12-13,17,25H,1-2,7-11H2
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n/an/a 1.50E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of [3H]WB-4101 binding to rat cortical Alpha-1 adrenergic receptor in vitro

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)		BDBM50002238
PNG
((R)1-(4-Fluoro-phenyl)-4-[4-(5-fluoro-pyrimidin-2-...)
Show SMILES OC(CCCN1CCN(CC1)c1ncc(F)cn1)c1ccc(F)cc1
Show InChI InChI=1S/C18H22F2N4O/c19-15-5-3-14(4-6-15)17(25)2-1-7-23-8-10-24(11-9-23)18-21-12-16(20)13-22-18/h3-6,12-13,17,25H,1-2,7-11H2
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n/an/a 1.70E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibitory concentration against radioligand [3H]spiperone binding to 5-hydroxytryptamine 2 receptor in rat cortex

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50002325
PNG
(2-{4-[3,4-Bis-(4-fluoro-phenyl)-but-3-enyl]-pipera...)
Show SMILES Fc1ccc(\C=C(/CCN2CCN(CC2)c2ncccn2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C24H24F2N4/c25-22-6-2-19(3-7-22)18-21(20-4-8-23(26)9-5-20)10-13-29-14-16-30(17-15-29)24-27-11-1-12-28-24/h1-9,11-12,18H,10,13-17H2/b21-18+
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n/an/a 1.70E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
In vitro inhibitory against radioligand [3H]spiperone binding to rat striatal Dopamine receptor D2

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50002329
PNG
(1-(4-Fluoro-phenyl)-4-[4-(5-fluoro-pyrimidin-2-yl)...)
Show SMILES Fc1ccc(cc1)C(CCCN1CCN(CC1)c1ncc(F)cn1)N=O
Show InChI InChI=1S/C18H21F2N5O/c19-15-5-3-14(4-6-15)17(23-26)2-1-7-24-8-10-25(11-9-24)18-21-12-16(20)13-22-18/h3-6,12-13,17H,1-2,7-11H2
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n/an/a 1.86E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
In vitro inhibitory against radioligand [3H]spiperone binding to rat striatal Dopamine receptor D2

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50002317
PNG
(2-(4-Fluoro-phenyl)-5-[4-(5-fluoro-pyrimidin-2-yl)...)
Show SMILES Fc1ccc(cc1)C(CCCN1CCN(CC1)c1ncc(F)cn1)C#N
Show InChI InChI=1S/C19H21F2N5/c20-17-5-3-15(4-6-17)16(12-22)2-1-7-25-8-10-26(11-9-25)19-23-13-18(21)14-24-19/h3-6,13-14,16H,1-2,7-11H2
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n/an/a 1.88E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
In vitro inhibitory against radioligand [3H]spiperone binding to rat striatal Dopamine receptor D2

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50002336
PNG
(2-(4-Fluoro-phenyl)-5-[4-(5-fluoro-pyrimidin-2-yl)...)
Show SMILES CC(O)(CCCN1CCN(CC1)c1ncc(F)cn1)c1ccc(F)cc1
Show InChI InChI=1S/C19H24F2N4O/c1-19(26,15-3-5-16(20)6-4-15)7-2-8-24-9-11-25(12-10-24)18-22-13-17(21)14-23-18/h3-6,13-14,26H,2,7-12H2,1H3
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n/an/a 2.12E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
In vitro inhibitory against radioligand [3H]spiperone binding to rat striatal Dopamine receptor D2

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50002320
PNG
(4-[4-(5-Bromo-pyrimidin-2-yl)-piperazin-1-yl]-1-(4...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ncc(Br)cn1
Show InChI InChI=1S/C18H20BrFN4O/c19-15-12-21-18(22-13-15)24-10-8-23(9-11-24)7-1-2-17(25)14-3-5-16(20)6-4-14/h3-6,12-13H,1-2,7-11H2
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n/an/a 2.19E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
In vitro inhibitory against radioligand [3H]spiperone binding to rat striatal Dopamine receptor D2

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50002321
PNG
(3-(4-Fluoro-phenyl)-6-[4-(5-fluoro-pyrimidin-2-yl)...)
Show SMILES CCC(O)(CCCN1CCN(CC1)c1ncc(F)cn1)c1ccc(F)cc1
Show InChI InChI=1S/C20H26F2N4O/c1-2-20(27,16-4-6-17(21)7-5-16)8-3-9-25-10-12-26(13-11-25)19-23-14-18(22)15-24-19/h4-7,14-15,27H,2-3,8-13H2,1H3
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n/an/a 3.75E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
In vitro inhibitory against radioligand [3H]spiperone binding to rat striatal Dopamine receptor D2

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50002331
PNG
(4-[4-(5-Fluoro-4-methoxy-pyrimidin-2-yl)-piperazin...)
Show SMILES COc1nc(ncc1F)N1CCN(CCCC(O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C19H24F2N4O2/c1-27-18-16(21)13-22-19(23-18)25-11-9-24(10-12-25)8-2-3-17(26)14-4-6-15(20)7-5-14/h4-7,13,17,26H,2-3,8-12H2,1H3
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n/an/a 3.94E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
In vitro inhibitory against radioligand [3H]spiperone binding to rat striatal Dopamine receptor D2

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50002330
PNG
(4-[4-(5-Chloro-pyrimidin-2-yl)-piperazin-1-yl]-1-(...)
Show SMILES OC(CCCN1CCN(CC1)c1ncc(Cl)cn1)c1ccc(F)cc1
Show InChI InChI=1S/C18H22ClFN4O/c19-15-12-21-18(22-13-15)24-10-8-23(9-11-24)7-1-2-17(25)14-3-5-16(20)6-4-14/h3-6,12-13,17,25H,1-2,7-11H2
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n/an/a 5.66E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
In vitro inhibitory against radioligand [3H]spiperone binding to rat striatal Dopamine receptor D2

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50002238
PNG
((R)1-(4-Fluoro-phenyl)-4-[4-(5-fluoro-pyrimidin-2-...)
Show SMILES OC(CCCN1CCN(CC1)c1ncc(F)cn1)c1ccc(F)cc1
Show InChI InChI=1S/C18H22F2N4O/c19-15-5-3-14(4-6-15)17(25)2-1-7-23-8-10-24(11-9-23)18-21-12-16(20)13-22-18/h3-6,12-13,17,25H,1-2,7-11H2
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n/an/a 6.43E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
In vitro inhibitory against radioligand [3H]spiperone binding to rat striatal Dopamine receptor D2

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50002332
PNG
(2-{4-[3,4-Bis-(4-fluoro-phenyl)-but-3-enyl]-pipera...)
Show SMILES Fc1ccc(\C=C(/CCN2CCN(CC2)c2ncc(F)cn2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C24H23F3N4/c25-21-5-1-18(2-6-21)15-20(19-3-7-22(26)8-4-19)9-10-30-11-13-31(14-12-30)24-28-16-23(27)17-29-24/h1-8,15-17H,9-14H2/b20-15+
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n/an/a 8.80E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
In vitro inhibitory against radioligand [3H]spiperone binding to rat striatal Dopamine receptor D2

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%