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PubMed code 7562938

Compile data set for download or QSAR
Found 17 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
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50031297
PNG
(7-(3-{4-[Bis-(4-fluoro-phenyl)-methyl]-piperazin-1...)
Show SMILES Cn1c2ncn(CCCN3CCN(CC3)C(c3ccc(F)cc3)c3ccc(F)cc3)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C27H30F2N6O2/c1-31-25-24(26(36)32(2)27(31)37)35(18-30-25)13-3-12-33-14-16-34(17-15-33)23(19-4-8-21(28)9-5-19)20-6-10-22(29)11-7-20/h4-11,18,23H,3,12-17H2,1-2H3
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n/an/a 38n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Compound is evaluated for in vitro receptor binding affinity against 5-hydroxytryptamine 1A receptor

J Med Chem 38: 4026-32 (1995)


BindingDB Entry DOI: 10.7270/Q2MK6DJG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50031296
PNG
(7-[3-(4-Benzhydryl-piperidin-1-yl)-propyl]-1,3-dim...)
Show SMILES Cn1c2ncn(CCCN3CCC(CC3)C(c3ccccc3)c3ccccc3)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C28H33N5O2/c1-30-26-25(27(34)31(2)28(30)35)33(20-29-26)17-9-16-32-18-14-23(15-19-32)24(21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-8,10-13,20,23-24H,9,14-19H2,1-2H3
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n/an/a 40n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Compound is evaluated for in vitro receptor binding affinity against 5-hydroxytryptamine 1A receptor

J Med Chem 38: 4026-32 (1995)


BindingDB Entry DOI: 10.7270/Q2MK6DJG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50031296
PNG
(7-[3-(4-Benzhydryl-piperidin-1-yl)-propyl]-1,3-dim...)
Show SMILES Cn1c2ncn(CCCN3CCC(CC3)C(c3ccccc3)c3ccccc3)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C28H33N5O2/c1-30-26-25(27(34)31(2)28(30)35)33(20-29-26)17-9-16-32-18-14-23(15-19-32)24(21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-8,10-13,20,23-24H,9,14-19H2,1-2H3
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n/an/a 41n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Compound is evaluated for in vitro receptor binding affinity against Dopamine receptor D2

J Med Chem 38: 4026-32 (1995)


BindingDB Entry DOI: 10.7270/Q2MK6DJG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50031297
PNG
(7-(3-{4-[Bis-(4-fluoro-phenyl)-methyl]-piperazin-1...)
Show SMILES Cn1c2ncn(CCCN3CCN(CC3)C(c3ccc(F)cc3)c3ccc(F)cc3)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C27H30F2N6O2/c1-31-25-24(26(36)32(2)27(31)37)35(18-30-25)13-3-12-33-14-16-34(17-15-33)23(19-4-8-21(28)9-5-19)20-6-10-22(29)11-7-20/h4-11,18,23H,3,12-17H2,1-2H3
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n/an/a 43n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Compound is evaluated for in vitro receptor binding affinity against Dopamine receptor D2

J Med Chem 38: 4026-32 (1995)


BindingDB Entry DOI: 10.7270/Q2MK6DJG
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))		BDBM50031296
PNG
(7-[3-(4-Benzhydryl-piperidin-1-yl)-propyl]-1,3-dim...)
Show SMILES Cn1c2ncn(CCCN3CCC(CC3)C(c3ccccc3)c3ccccc3)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C28H33N5O2/c1-30-26-25(27(34)31(2)28(30)35)33(20-29-26)17-9-16-32-18-14-23(15-19-32)24(21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-8,10-13,20,23-24H,9,14-19H2,1-2H3
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n/an/a 44n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Compound is evaluated for in vitro receptor binding affinity against H1 receptor

J Med Chem 38: 4026-32 (1995)


BindingDB Entry DOI: 10.7270/Q2MK6DJG
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))		BDBM22873
PNG
(1-(4-tert-butylphenyl)-4-[4-(diphenylmethoxy)piper...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)CCCN1CCC(CC1)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H39NO2/c1-32(2,3)28-18-16-25(17-19-28)30(34)15-10-22-33-23-20-29(21-24-33)35-31(26-11-6-4-7-12-26)27-13-8-5-9-14-27/h4-9,11-14,16-19,29,31H,10,15,20-24H2,1-3H3
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n/an/a 45n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Compound is evaluated for in vitro receptor binding affinity against H1 receptor

J Med Chem 38: 4026-32 (1995)


BindingDB Entry DOI: 10.7270/Q2MK6DJG
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50031296
PNG
(7-[3-(4-Benzhydryl-piperidin-1-yl)-propyl]-1,3-dim...)
Show SMILES Cn1c2ncn(CCCN3CCC(CC3)C(c3ccccc3)c3ccccc3)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C28H33N5O2/c1-30-26-25(27(34)31(2)28(30)35)33(20-29-26)17-9-16-32-18-14-23(15-19-32)24(21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-8,10-13,20,23-24H,9,14-19H2,1-2H3
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n/an/a 46n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Compound is evaluated for in vitro receptor binding affinity against Muscarinic acetylcholine receptor M1

J Med Chem 38: 4026-32 (1995)


BindingDB Entry DOI: 10.7270/Q2MK6DJG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM22873
PNG
(1-(4-tert-butylphenyl)-4-[4-(diphenylmethoxy)piper...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)CCCN1CCC(CC1)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H39NO2/c1-32(2,3)28-18-16-25(17-19-28)30(34)15-10-22-33-23-20-29(21-24-33)35-31(26-11-6-4-7-12-26)27-13-8-5-9-14-27/h4-9,11-14,16-19,29,31H,10,15,20-24H2,1-3H3
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n/an/a 47n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Compound is evaluated for in vitro receptor binding affinity against 5-hydroxytryptamine 1A receptor

J Med Chem 38: 4026-32 (1995)


BindingDB Entry DOI: 10.7270/Q2MK6DJG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM22873
PNG
(1-(4-tert-butylphenyl)-4-[4-(diphenylmethoxy)piper...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)CCCN1CCC(CC1)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H39NO2/c1-32(2,3)28-18-16-25(17-19-28)30(34)15-10-22-33-23-20-29(21-24-33)35-31(26-11-6-4-7-12-26)27-13-8-5-9-14-27/h4-9,11-14,16-19,29,31H,10,15,20-24H2,1-3H3
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n/an/a 61n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Compound is evaluated for in vitro receptor binding affinity against Dopamine receptor D2

J Med Chem 38: 4026-32 (1995)


BindingDB Entry DOI: 10.7270/Q2MK6DJG
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))		BDBM50017376
PNG
((+/-)1-(4-tert-butylphenyl)-4-(4-(hydroxydiphenylm...)
Show SMILES CC(C)(C)c1ccc(cc1)C(O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H41NO2/c1-31(2,3)26-18-16-25(17-19-26)30(34)15-10-22-33-23-20-29(21-24-33)32(35,27-11-6-4-7-12-27)28-13-8-5-9-14-28/h4-9,11-14,16-19,29-30,34-35H,10,15,20-24H2,1-3H3
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n/an/a 94n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Compound is evaluated for in vitro receptor binding affinity against H1 receptor

J Med Chem 38: 4026-32 (1995)


BindingDB Entry DOI: 10.7270/Q2MK6DJG
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))		BDBM50031297
PNG
(7-(3-{4-[Bis-(4-fluoro-phenyl)-methyl]-piperazin-1...)
Show SMILES Cn1c2ncn(CCCN3CCN(CC3)C(c3ccc(F)cc3)c3ccc(F)cc3)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C27H30F2N6O2/c1-31-25-24(26(36)32(2)27(31)37)35(18-30-25)13-3-12-33-14-16-34(17-15-33)23(19-4-8-21(28)9-5-19)20-6-10-22(29)11-7-20/h4-11,18,23H,3,12-17H2,1-2H3
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n/an/a 220n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Compound is evaluated for in vitro receptor binding affinity against H1 receptor

J Med Chem 38: 4026-32 (1995)


BindingDB Entry DOI: 10.7270/Q2MK6DJG
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50031297
PNG
(7-(3-{4-[Bis-(4-fluoro-phenyl)-methyl]-piperazin-1...)
Show SMILES Cn1c2ncn(CCCN3CCN(CC3)C(c3ccc(F)cc3)c3ccc(F)cc3)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C27H30F2N6O2/c1-31-25-24(26(36)32(2)27(31)37)35(18-30-25)13-3-12-33-14-16-34(17-15-33)23(19-4-8-21(28)9-5-19)20-6-10-22(29)11-7-20/h4-11,18,23H,3,12-17H2,1-2H3
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n/an/a 670n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Compound is evaluated for in vitro receptor binding affinity against Muscarinic acetylcholine receptor M1

J Med Chem 38: 4026-32 (1995)


BindingDB Entry DOI: 10.7270/Q2MK6DJG
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM22873
PNG
(1-(4-tert-butylphenyl)-4-[4-(diphenylmethoxy)piper...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)CCCN1CCC(CC1)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H39NO2/c1-32(2,3)28-18-16-25(17-19-28)30(34)15-10-22-33-23-20-29(21-24-33)35-31(26-11-6-4-7-12-26)27-13-8-5-9-14-27/h4-9,11-14,16-19,29,31H,10,15,20-24H2,1-3H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Compound is evaluated for in vitro receptor binding affinity against Muscarinic acetylcholine receptor M2

J Med Chem 38: 4026-32 (1995)


BindingDB Entry DOI: 10.7270/Q2MK6DJG
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50031297
PNG
(7-(3-{4-[Bis-(4-fluoro-phenyl)-methyl]-piperazin-1...)
Show SMILES Cn1c2ncn(CCCN3CCN(CC3)C(c3ccc(F)cc3)c3ccc(F)cc3)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C27H30F2N6O2/c1-31-25-24(26(36)32(2)27(31)37)35(18-30-25)13-3-12-33-14-16-34(17-15-33)23(19-4-8-21(28)9-5-19)20-6-10-22(29)11-7-20/h4-11,18,23H,3,12-17H2,1-2H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Compound is evaluated for in vitro receptor binding affinity against Muscarinic acetylcholine receptor M2

J Med Chem 38: 4026-32 (1995)


BindingDB Entry DOI: 10.7270/Q2MK6DJG
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM22873
PNG
(1-(4-tert-butylphenyl)-4-[4-(diphenylmethoxy)piper...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)CCCN1CCC(CC1)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H39NO2/c1-32(2,3)28-18-16-25(17-19-28)30(34)15-10-22-33-23-20-29(21-24-33)35-31(26-11-6-4-7-12-26)27-13-8-5-9-14-27/h4-9,11-14,16-19,29,31H,10,15,20-24H2,1-3H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Compound is evaluated for in vitro receptor binding affinity against Muscarinic acetylcholine receptor M1

J Med Chem 38: 4026-32 (1995)


BindingDB Entry DOI: 10.7270/Q2MK6DJG
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50017376
PNG
((+/-)1-(4-tert-butylphenyl)-4-(4-(hydroxydiphenylm...)
Show SMILES CC(C)(C)c1ccc(cc1)C(O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H41NO2/c1-31(2,3)26-18-16-25(17-19-26)30(34)15-10-22-33-23-20-29(21-24-33)32(35,27-11-6-4-7-12-27)28-13-8-5-9-14-28/h4-9,11-14,16-19,29-30,34-35H,10,15,20-24H2,1-3H3
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n/an/a 2.90E+3n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Compound is evaluated for in vitro receptor binding affinity against Muscarinic acetylcholine receptor M1

J Med Chem 38: 4026-32 (1995)


BindingDB Entry DOI: 10.7270/Q2MK6DJG
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50031296
PNG
(7-[3-(4-Benzhydryl-piperidin-1-yl)-propyl]-1,3-dim...)
Show SMILES Cn1c2ncn(CCCN3CCC(CC3)C(c3ccccc3)c3ccccc3)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C28H33N5O2/c1-30-26-25(27(34)31(2)28(30)35)33(20-29-26)17-9-16-32-18-14-23(15-19-32)24(21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-8,10-13,20,23-24H,9,14-19H2,1-2H3
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n/an/a 7.30E+3n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Compound is evaluated for in vitro receptor binding affinity against Muscarinic acetylcholine receptor M2

J Med Chem 38: 4026-32 (1995)


BindingDB Entry DOI: 10.7270/Q2MK6DJG
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%