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PubMed code 10853650

Compile data set for download or QSAR
Found 36 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


(Rattus norvegicus (rat))		BDBM50088846
PNG
(CHEMBL353678 | N-{4-[2-(4-Phenyl-piperazin-1-yl)-e...)
Show SMILES CC(=O)NCc1ccc(CCN2CCN(CC2)c2ccccc2)cc1
Show InChI InChI=1S/C21H27N3O/c1-18(25)22-17-20-9-7-19(8-10-20)11-12-23-13-15-24(16-14-23)21-5-3-2-4-6-21/h2-10H,11-17H2,1H3,(H,22,25)
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 2.90n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor

Bioorg Med Chem Lett 10: 875-9 (2000)


BindingDB Entry DOI: 10.7270/Q2CZ36C7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50088844
PNG
(4-{4-[4-(4-Phenyl-piperazin-1-yl)-butyl]-phenyl}-t...)
Show SMILES Nc1nc(cs1)-c1ccc(CCCCN2CCN(CC2)c2ccccc2)cc1
Show InChI InChI=1S/C23H28N4S/c24-23-25-22(18-28-23)20-11-9-19(10-12-20)6-4-5-13-26-14-16-27(17-15-26)21-7-2-1-3-8-21/h1-3,7-12,18H,4-6,13-17H2,(H2,24,25)
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 3.80n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor

Bioorg Med Chem Lett 10: 875-9 (2000)


BindingDB Entry DOI: 10.7270/Q2CZ36C7
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50088839
PNG
(CHEMBL169702 | N-{4-[4-(4-Phenyl-piperazin-1-yl)-b...)
Show SMILES CC(=O)NCc1ccc(CCCCN2CCN(CC2)c2ccccc2)cc1
Show InChI InChI=1S/C23H31N3O/c1-20(27)24-19-22-12-10-21(11-13-22)7-5-6-14-25-15-17-26(18-16-25)23-8-3-2-4-9-23/h2-4,8-13H,5-7,14-19H2,1H3,(H,24,27)
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 4.60n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of human trypsin.

Bioorg Med Chem Lett 10: 875-9 (2000)


BindingDB Entry DOI: 10.7270/Q2CZ36C7
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)		BDBM50088844
PNG
(4-{4-[4-(4-Phenyl-piperazin-1-yl)-butyl]-phenyl}-t...)
Show SMILES Nc1nc(cs1)-c1ccc(CCCCN2CCN(CC2)c2ccccc2)cc1
Show InChI InChI=1S/C23H28N4S/c24-23-25-22(18-28-23)20-11-9-19(10-12-20)6-4-5-13-26-14-16-27(17-15-26)21-7-2-1-3-8-21/h1-3,7-12,18H,4-6,13-17H2,(H2,24,25)
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 5.5n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2

Bioorg Med Chem Lett 10: 875-9 (2000)


BindingDB Entry DOI: 10.7270/Q2CZ36C7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50088839
PNG
(CHEMBL169702 | N-{4-[4-(4-Phenyl-piperazin-1-yl)-b...)
Show SMILES CC(=O)NCc1ccc(CCCCN2CCN(CC2)c2ccccc2)cc1
Show InChI InChI=1S/C23H31N3O/c1-20(27)24-19-22-12-10-21(11-13-22)7-5-6-14-25-15-17-26(18-16-25)23-8-3-2-4-9-23/h2-4,8-13H,5-7,14-19H2,1H3,(H,24,27)
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 6n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor

Bioorg Med Chem Lett 10: 875-9 (2000)


BindingDB Entry DOI: 10.7270/Q2CZ36C7
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50088841
PNG
(CHEMBL352617 | N-{4-[3-(4-Phenyl-piperazin-1-yl)-p...)
Show SMILES CC(=O)NCc1ccc(CCCN2CCN(CC2)c2ccccc2)cc1
Show InChI InChI=1S/C22H29N3O/c1-19(26)23-18-21-11-9-20(10-12-21)6-5-13-24-14-16-25(17-15-24)22-7-3-2-4-8-22/h2-4,7-12H,5-6,13-18H2,1H3,(H,23,26)
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 6.40n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of human Coagulation factor X.

Bioorg Med Chem Lett 10: 875-9 (2000)


BindingDB Entry DOI: 10.7270/Q2CZ36C7
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50088844
PNG
(4-{4-[4-(4-Phenyl-piperazin-1-yl)-butyl]-phenyl}-t...)
Show SMILES Nc1nc(cs1)-c1ccc(CCCCN2CCN(CC2)c2ccccc2)cc1
Show InChI InChI=1S/C23H28N4S/c24-23-25-22(18-28-23)20-11-9-19(10-12-20)6-4-5-13-26-14-16-27(17-15-26)21-7-2-1-3-8-21/h1-3,7-12,18H,4-6,13-17H2,(H2,24,25)
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 7.90n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of class C beta-lactamase derived from Enterobacter cloacae P99

Bioorg Med Chem Lett 10: 875-9 (2000)


BindingDB Entry DOI: 10.7270/Q2CZ36C7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50088841
PNG
(CHEMBL352617 | N-{4-[3-(4-Phenyl-piperazin-1-yl)-p...)
Show SMILES CC(=O)NCc1ccc(CCCN2CCN(CC2)c2ccccc2)cc1
Show InChI InChI=1S/C22H29N3O/c1-19(26)23-18-21-11-9-20(10-12-21)6-5-13-24-14-16-25(17-15-24)22-7-3-2-4-8-22/h2-4,7-12H,5-6,13-18H2,1H3,(H,23,26)
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 33n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor

Bioorg Med Chem Lett 10: 875-9 (2000)


BindingDB Entry DOI: 10.7270/Q2CZ36C7
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Homo sapiens (Human))		BDBM50088844
PNG
(4-{4-[4-(4-Phenyl-piperazin-1-yl)-butyl]-phenyl}-t...)
Show SMILES Nc1nc(cs1)-c1ccc(CCCCN2CCN(CC2)c2ccccc2)cc1
Show InChI InChI=1S/C23H28N4S/c24-23-25-22(18-28-23)20-11-9-19(10-12-20)6-4-5-13-26-14-16-27(17-15-26)21-7-2-1-3-8-21/h1-3,7-12,18H,4-6,13-17H2,(H2,24,25)
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 37n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of GC1 extended spectrum class C beta-lactamase

Bioorg Med Chem Lett 10: 875-9 (2000)


BindingDB Entry DOI: 10.7270/Q2CZ36C7
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Homo sapiens (Human))		BDBM50088839
PNG
(CHEMBL169702 | N-{4-[4-(4-Phenyl-piperazin-1-yl)-b...)
Show SMILES CC(=O)NCc1ccc(CCCCN2CCN(CC2)c2ccccc2)cc1
Show InChI InChI=1S/C23H31N3O/c1-20(27)24-19-22-12-10-21(11-13-22)7-5-6-14-25-15-17-26(18-16-25)23-8-3-2-4-9-23/h2-4,8-13H,5-7,14-19H2,1H3,(H,24,27)
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 48n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of GC1 extended spectrum class C beta-lactamase

Bioorg Med Chem Lett 10: 875-9 (2000)


BindingDB Entry DOI: 10.7270/Q2CZ36C7
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)		BDBM50088839
PNG
(CHEMBL169702 | N-{4-[4-(4-Phenyl-piperazin-1-yl)-b...)
Show SMILES CC(=O)NCc1ccc(CCCCN2CCN(CC2)c2ccccc2)cc1
Show InChI InChI=1S/C23H31N3O/c1-20(27)24-19-22-12-10-21(11-13-22)7-5-6-14-25-15-17-26(18-16-25)23-8-3-2-4-9-23/h2-4,8-13H,5-7,14-19H2,1H3,(H,24,27)
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 49n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2

Bioorg Med Chem Lett 10: 875-9 (2000)


BindingDB Entry DOI: 10.7270/Q2CZ36C7
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50088846
PNG
(CHEMBL353678 | N-{4-[2-(4-Phenyl-piperazin-1-yl)-e...)
Show SMILES CC(=O)NCc1ccc(CCN2CCN(CC2)c2ccccc2)cc1
Show InChI InChI=1S/C21H27N3O/c1-18(25)22-17-20-9-7-19(8-10-20)11-12-23-13-15-24(16-14-23)21-5-3-2-4-6-21/h2-10H,11-17H2,1H3,(H,22,25)
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 69n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of human trypsin.

Bioorg Med Chem Lett 10: 875-9 (2000)


BindingDB Entry DOI: 10.7270/Q2CZ36C7
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Homo sapiens (Human))		BDBM50088846
PNG
(CHEMBL353678 | N-{4-[2-(4-Phenyl-piperazin-1-yl)-e...)
Show SMILES CC(=O)NCc1ccc(CCN2CCN(CC2)c2ccccc2)cc1
Show InChI InChI=1S/C21H27N3O/c1-18(25)22-17-20-9-7-19(8-10-20)11-12-23-13-15-24(16-14-23)21-5-3-2-4-6-21/h2-10H,11-17H2,1H3,(H,22,25)
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 130n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of human thrombin.

Bioorg Med Chem Lett 10: 875-9 (2000)


BindingDB Entry DOI: 10.7270/Q2CZ36C7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50088845
PNG
(CHEMBL170307 | N-[4-(4-Phenyl-piperazin-1-ylmethyl...)
Show SMILES CC(=O)NCc1ccc(CN2CCN(CC2)c2ccccc2)cc1
Show InChI InChI=1S/C20H25N3O/c1-17(24)21-15-18-7-9-19(10-8-18)16-22-11-13-23(14-12-22)20-5-3-2-4-6-20/h2-10H,11-16H2,1H3,(H,21,24)
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 140n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor

Bioorg Med Chem Lett 10: 875-9 (2000)


BindingDB Entry DOI: 10.7270/Q2CZ36C7
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Homo sapiens (Human))		BDBM50088841
PNG
(CHEMBL352617 | N-{4-[3-(4-Phenyl-piperazin-1-yl)-p...)
Show SMILES CC(=O)NCc1ccc(CCCN2CCN(CC2)c2ccccc2)cc1
Show InChI InChI=1S/C22H29N3O/c1-19(26)23-18-21-11-9-20(10-12-21)6-5-13-24-14-16-25(17-15-24)22-7-3-2-4-8-22/h2-4,7-12H,5-6,13-18H2,1H3,(H,23,26)
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 160n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of GC1 extended spectrum class C beta-lactamase

Bioorg Med Chem Lett 10: 875-9 (2000)


BindingDB Entry DOI: 10.7270/Q2CZ36C7
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)		BDBM50088846
PNG
(CHEMBL353678 | N-{4-[2-(4-Phenyl-piperazin-1-yl)-e...)
Show SMILES CC(=O)NCc1ccc(CCN2CCN(CC2)c2ccccc2)cc1
Show InChI InChI=1S/C21H27N3O/c1-18(25)22-17-20-9-7-19(8-10-20)11-12-23-13-15-24(16-14-23)21-5-3-2-4-6-21/h2-10H,11-17H2,1H3,(H,22,25)
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 170n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2

Bioorg Med Chem Lett 10: 875-9 (2000)


BindingDB Entry DOI: 10.7270/Q2CZ36C7
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)		BDBM50088841
PNG
(CHEMBL352617 | N-{4-[3-(4-Phenyl-piperazin-1-yl)-p...)
Show SMILES CC(=O)NCc1ccc(CCCN2CCN(CC2)c2ccccc2)cc1
Show InChI InChI=1S/C22H29N3O/c1-19(26)23-18-21-11-9-20(10-12-21)6-5-13-24-14-16-25(17-15-24)22-7-3-2-4-8-22/h2-4,7-12H,5-6,13-18H2,1H3,(H,23,26)
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 340n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2

Bioorg Med Chem Lett 10: 875-9 (2000)


BindingDB Entry DOI: 10.7270/Q2CZ36C7
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Homo sapiens (Human))		BDBM50088847
PNG
(CHEMBL171345 | N-{4-[4-(4-Chloro-phenyl)-piperazin...)
Show SMILES CC(=O)NCc1ccc(CN2CCN(CC2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C20H24ClN3O/c1-16(25)22-14-17-2-4-18(5-3-17)15-23-10-12-24(13-11-23)20-8-6-19(21)7-9-20/h2-9H,10-15H2,1H3,(H,22,25)
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>1.00E+3n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of class C beta-lactamase derived from Enterobacter cloacae P99

Bioorg Med Chem Lett 10: 875-9 (2000)


BindingDB Entry DOI: 10.7270/Q2CZ36C7
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)		BDBM50088843
PNG
(CHEMBL171115 | N-{4-[4-(4-Methoxy-phenyl)-piperazi...)
Show SMILES COc1ccc(cc1)N1CCN(Cc2ccc(CNC(C)=O)cc2)CC1
Show InChI InChI=1S/C21H27N3O2/c1-17(25)22-15-18-3-5-19(6-4-18)16-23-11-13-24(14-12-23)20-7-9-21(26-2)10-8-20/h3-10H,11-16H2,1-2H3,(H,22,25)
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>1.00E+3n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2

Bioorg Med Chem Lett 10: 875-9 (2000)


BindingDB Entry DOI: 10.7270/Q2CZ36C7
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)		BDBM50088845
PNG
(CHEMBL170307 | N-[4-(4-Phenyl-piperazin-1-ylmethyl...)
Show SMILES CC(=O)NCc1ccc(CN2CCN(CC2)c2ccccc2)cc1
Show InChI InChI=1S/C20H25N3O/c1-17(24)21-15-18-7-9-19(10-8-18)16-22-11-13-23(14-12-22)20-5-3-2-4-6-20/h2-10H,11-16H2,1H3,(H,21,24)
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>1.00E+3n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2

Bioorg Med Chem Lett 10: 875-9 (2000)


BindingDB Entry DOI: 10.7270/Q2CZ36C7
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50088845
PNG
(CHEMBL170307 | N-[4-(4-Phenyl-piperazin-1-ylmethyl...)
Show SMILES CC(=O)NCc1ccc(CN2CCN(CC2)c2ccccc2)cc1
Show InChI InChI=1S/C20H25N3O/c1-17(24)21-15-18-7-9-19(10-8-18)16-22-11-13-23(14-12-22)20-5-3-2-4-6-20/h2-10H,11-16H2,1H3,(H,21,24)
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>1.00E+3n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of human plasmin.

Bioorg Med Chem Lett 10: 875-9 (2000)


BindingDB Entry DOI: 10.7270/Q2CZ36C7
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Homo sapiens (Human))		BDBM50088840
PNG
(CHEMBL352576 | N-{4-[4-(2,4-Difluoro-phenyl)-piper...)
Show SMILES CC(=O)NCc1ccc(CN2CCN(CC2)c2ccc(F)cc2F)cc1
Show InChI InChI=1S/C20H23F2N3O/c1-15(26)23-13-16-2-4-17(5-3-16)14-24-8-10-25(11-9-24)20-7-6-18(21)12-19(20)22/h2-7,12H,8-11,13-14H2,1H3,(H,23,26)
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>1.00E+3n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of human thrombin.

Bioorg Med Chem Lett 10: 875-9 (2000)


BindingDB Entry DOI: 10.7270/Q2CZ36C7
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)		BDBM50088840
PNG
(CHEMBL352576 | N-{4-[4-(2,4-Difluoro-phenyl)-piper...)
Show SMILES CC(=O)NCc1ccc(CN2CCN(CC2)c2ccc(F)cc2F)cc1
Show InChI InChI=1S/C20H23F2N3O/c1-15(26)23-13-16-2-4-17(5-3-16)14-24-8-10-25(11-9-24)20-7-6-18(21)12-19(20)22/h2-7,12H,8-11,13-14H2,1H3,(H,23,26)
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>1.00E+3n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2

Bioorg Med Chem Lett 10: 875-9 (2000)


BindingDB Entry DOI: 10.7270/Q2CZ36C7
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Homo sapiens (Human))		BDBM50088842
PNG
(CHEMBL171052 | N-{4-[4-(4-Fluoro-phenyl)-piperazin...)
Show SMILES CC(=O)NCc1ccc(CN2CCN(CC2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C20H24FN3O/c1-16(25)22-14-17-2-4-18(5-3-17)15-23-10-12-24(13-11-23)20-8-6-19(21)7-9-20/h2-9H,10-15H2,1H3,(H,22,25)
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Yoshitomi Pharmaceutical Industries, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 2 receptor

Bioorg Med Chem Lett 10: 875-9 (2000)


BindingDB Entry DOI: 10.7270/Q2CZ36C7
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50088843
PNG
(CHEMBL171115 | N-{4-[4-(4-Methoxy-phenyl)-piperazi...)
Show SMILES COc1ccc(cc1)N1CCN(Cc2ccc(CNC(C)=O)cc2)CC1
Show InChI InChI=1S/C21H27N3O2/c1-17(25)22-15-18-3-5-19(6-4-18)16-23-11-13-24(14-12-23)20-7-9-21(26-2)10-8-20/h3-10H,11-16H2,1-2H3,(H,22,25)
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Yoshitomi Pharmaceutical Industries, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor

Bioorg Med Chem Lett 10: 875-9 (2000)


BindingDB Entry DOI: 10.7270/Q2CZ36C7
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)		BDBM50088847
PNG
(CHEMBL171345 | N-{4-[4-(4-Chloro-phenyl)-piperazin...)
Show SMILES CC(=O)NCc1ccc(CN2CCN(CC2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C20H24ClN3O/c1-16(25)22-14-17-2-4-18(5-3-17)15-23-10-12-24(13-11-23)20-8-6-19(21)7-9-20/h2-9H,10-15H2,1H3,(H,22,25)
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Yoshitomi Pharmaceutical Industries, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2

Bioorg Med Chem Lett 10: 875-9 (2000)


BindingDB Entry DOI: 10.7270/Q2CZ36C7
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Homo sapiens (Human))		BDBM50088845
PNG
(CHEMBL170307 | N-[4-(4-Phenyl-piperazin-1-ylmethyl...)
Show SMILES CC(=O)NCc1ccc(CN2CCN(CC2)c2ccccc2)cc1
Show InChI InChI=1S/C20H25N3O/c1-17(24)21-15-18-7-9-19(10-8-18)16-22-11-13-23(14-12-22)20-5-3-2-4-6-20/h2-10H,11-16H2,1H3,(H,21,24)
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Yoshitomi Pharmaceutical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of GC1 extended spectrum class C beta-lactamase

Bioorg Med Chem Lett 10: 875-9 (2000)


BindingDB Entry DOI: 10.7270/Q2CZ36C7
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50088842
PNG
(CHEMBL171052 | N-{4-[4-(4-Fluoro-phenyl)-piperazin...)
Show SMILES CC(=O)NCc1ccc(CN2CCN(CC2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C20H24FN3O/c1-16(25)22-14-17-2-4-18(5-3-17)15-23-10-12-24(13-11-23)20-8-6-19(21)7-9-20/h2-9H,10-15H2,1H3,(H,22,25)
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Yoshitomi Pharmaceutical Industries, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of human Coagulation factor X.

Bioorg Med Chem Lett 10: 875-9 (2000)


BindingDB Entry DOI: 10.7270/Q2CZ36C7
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Homo sapiens (Human))		BDBM50088843
PNG
(CHEMBL171115 | N-{4-[4-(4-Methoxy-phenyl)-piperazi...)
Show SMILES COc1ccc(cc1)N1CCN(Cc2ccc(CNC(C)=O)cc2)CC1
Show InChI InChI=1S/C21H27N3O2/c1-17(25)22-15-18-3-5-19(6-4-18)16-23-11-13-24(14-12-23)20-7-9-21(26-2)10-8-20/h3-10H,11-16H2,1-2H3,(H,22,25)
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Yoshitomi Pharmaceutical Industries, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of human Coagulation factor X.

Bioorg Med Chem Lett 10: 875-9 (2000)


BindingDB Entry DOI: 10.7270/Q2CZ36C7
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50088840
PNG
(CHEMBL352576 | N-{4-[4-(2,4-Difluoro-phenyl)-piper...)
Show SMILES CC(=O)NCc1ccc(CN2CCN(CC2)c2ccc(F)cc2F)cc1
Show InChI InChI=1S/C20H23F2N3O/c1-15(26)23-13-16-2-4-17(5-3-16)14-24-8-10-25(11-9-24)20-7-6-18(21)12-19(20)22/h2-7,12H,8-11,13-14H2,1H3,(H,23,26)
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Yoshitomi Pharmaceutical Industries, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor

Bioorg Med Chem Lett 10: 875-9 (2000)


BindingDB Entry DOI: 10.7270/Q2CZ36C7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50088847
PNG
(CHEMBL171345 | N-{4-[4-(4-Chloro-phenyl)-piperazin...)
Show SMILES CC(=O)NCc1ccc(CN2CCN(CC2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C20H24ClN3O/c1-16(25)22-14-17-2-4-18(5-3-17)15-23-10-12-24(13-11-23)20-8-6-19(21)7-9-20/h2-9H,10-15H2,1H3,(H,22,25)
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Yoshitomi Pharmaceutical Industries, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor

Bioorg Med Chem Lett 10: 875-9 (2000)


BindingDB Entry DOI: 10.7270/Q2CZ36C7
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)		BDBM50088842
PNG
(CHEMBL171052 | N-{4-[4-(4-Fluoro-phenyl)-piperazin...)
Show SMILES CC(=O)NCc1ccc(CN2CCN(CC2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C20H24FN3O/c1-16(25)22-14-17-2-4-18(5-3-17)15-23-10-12-24(13-11-23)20-8-6-19(21)7-9-20/h2-9H,10-15H2,1H3,(H,22,25)
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Yoshitomi Pharmaceutical Industries, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2

Bioorg Med Chem Lett 10: 875-9 (2000)


BindingDB Entry DOI: 10.7270/Q2CZ36C7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50088840
PNG
(CHEMBL352576 | N-{4-[4-(2,4-Difluoro-phenyl)-piper...)
Show SMILES CC(=O)NCc1ccc(CN2CCN(CC2)c2ccc(F)cc2F)cc1
Show InChI InChI=1S/C20H23F2N3O/c1-15(26)23-13-16-2-4-17(5-3-16)14-24-8-10-25(11-9-24)20-7-6-18(21)12-19(20)22/h2-7,12H,8-11,13-14H2,1H3,(H,23,26)
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Yoshitomi Pharmaceutical Industries, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor

Bioorg Med Chem Lett 10: 875-9 (2000)


BindingDB Entry DOI: 10.7270/Q2CZ36C7
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50088847
PNG
(CHEMBL171345 | N-{4-[4-(4-Chloro-phenyl)-piperazin...)
Show SMILES CC(=O)NCc1ccc(CN2CCN(CC2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C20H24ClN3O/c1-16(25)22-14-17-2-4-18(5-3-17)15-23-10-12-24(13-11-23)20-8-6-19(21)7-9-20/h2-9H,10-15H2,1H3,(H,22,25)
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Yoshitomi Pharmaceutical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of class C beta-lactamase derived from Enterobacter cloacae P99

Bioorg Med Chem Lett 10: 875-9 (2000)


BindingDB Entry DOI: 10.7270/Q2CZ36C7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50088843
PNG
(CHEMBL171115 | N-{4-[4-(4-Methoxy-phenyl)-piperazi...)
Show SMILES COc1ccc(cc1)N1CCN(Cc2ccc(CNC(C)=O)cc2)CC1
Show InChI InChI=1S/C21H27N3O2/c1-17(25)22-15-18-3-5-19(6-4-18)16-23-11-13-24(14-12-23)20-7-9-21(26-2)10-8-20/h3-10H,11-16H2,1-2H3,(H,22,25)
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Yoshitomi Pharmaceutical Industries, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor

Bioorg Med Chem Lett 10: 875-9 (2000)


BindingDB Entry DOI: 10.7270/Q2CZ36C7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50088842
PNG
(CHEMBL171052 | N-{4-[4-(4-Fluoro-phenyl)-piperazin...)
Show SMILES CC(=O)NCc1ccc(CN2CCN(CC2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C20H24FN3O/c1-16(25)22-14-17-2-4-18(5-3-17)15-23-10-12-24(13-11-23)20-8-6-19(21)7-9-20/h2-9H,10-15H2,1H3,(H,22,25)
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Yoshitomi Pharmaceutical Industries, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor

Bioorg Med Chem Lett 10: 875-9 (2000)


BindingDB Entry DOI: 10.7270/Q2CZ36C7
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%