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Compile Data Set for Download or QSAR

Found 455 hits with Last Name = 'adachi' and Initial = 'k'   
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
Sphingosine 1-Phosphate Receptor 5


(Homo sapiens (human))
BDBM22202
PNG
(S1P | [32P]S1P | [33P]S1P | sphingosine-1-phosphat...)
Show SMILES CCCCCCCCCCCCC\C=C/C(O)C(N)COP(O)(O)=O
Show InChI InChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14-
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PubMed
0.920 -47.9n/an/an/an/an/a7.54



Mitsubishi Pharma Corporation



Assay Description
Ki Values were determined by competition of [32P]-S1P binding to stably transfected CHO (S1P1,2,4) or RH7777 (S1P3,5) cells expressing the indicated ...


Bioorg Med Chem 13: 425-32 (2005)


Article DOI: 10.1016/j.bmc.2004.10.008
BindingDB Entry DOI: 10.7270/Q257199Q
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM22202
PNG
(S1P | [32P]S1P | [33P]S1P | sphingosine-1-phosphat...)
Show SMILES CCCCCCCCCCCCC\C=C/C(O)C(N)COP(O)(O)=O
Show InChI InChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14-
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PubMed
1.20 -47.3n/an/an/an/an/a7.54



Mitsubishi Pharma Corporation



Assay Description
Ki Values were determined by competition of [32P]-S1P binding to stably transfected CHO (S1P1,2,4) or RH7777 (S1P3,5) cells expressing the indicated ...


Bioorg Med Chem 13: 425-32 (2005)


Article DOI: 10.1016/j.bmc.2004.10.008
BindingDB Entry DOI: 10.7270/Q257199Q
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM23165
PNG
(CHEMBL366208 | FTY720-phosphate, (S)-2 | [(2S)-2-a...)
Show SMILES CCCCCCCCc1ccc(CC[C@](N)(CO)COP(O)(O)=O)cc1
Show InChI InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)/t19-/m0/s1
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PubMed
2.10 -46.0n/an/an/an/an/a7.54



Mitsubishi Pharma Corporation



Assay Description
Ki Values were determined by competition of [32P]-S1P binding to stably transfected CHO (S1P1,2,4) or RH7777 (S1P3,5) cells expressing the indicated ...


Bioorg Med Chem 13: 425-32 (2005)


Article DOI: 10.1016/j.bmc.2004.10.008
BindingDB Entry DOI: 10.7270/Q257199Q
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 5


(Homo sapiens (human))
BDBM23165
PNG
(CHEMBL366208 | FTY720-phosphate, (S)-2 | [(2S)-2-a...)
Show SMILES CCCCCCCCc1ccc(CC[C@](N)(CO)COP(O)(O)=O)cc1
Show InChI InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)/t19-/m0/s1
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2.20 -45.9n/an/an/an/an/a7.54



Mitsubishi Pharma Corporation



Assay Description
Ki Values were determined by competition of [32P]-S1P binding to stably transfected CHO (S1P1,2,4) or RH7777 (S1P3,5) cells expressing the indicated ...


Bioorg Med Chem 13: 425-32 (2005)


Article DOI: 10.1016/j.bmc.2004.10.008
BindingDB Entry DOI: 10.7270/Q257199Q
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (human))
BDBM22202
PNG
(S1P | [32P]S1P | [33P]S1P | sphingosine-1-phosphat...)
Show SMILES CCCCCCCCCCCCC\C=C/C(O)C(N)COP(O)(O)=O
Show InChI InChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14-
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2.70 -45.5n/an/an/an/an/a7.54



Mitsubishi Pharma Corporation



Assay Description
Ki Values were determined by competition of [32P]-S1P binding to stably transfected CHO (S1P1,2,4) or RH7777 (S1P3,5) cells expressing the indicated ...


Bioorg Med Chem 13: 425-32 (2005)


Article DOI: 10.1016/j.bmc.2004.10.008
BindingDB Entry DOI: 10.7270/Q257199Q
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(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)


Article DOI: 10.1016/s0960-894x(00)00128-1
BindingDB Entry DOI: 10.7270/Q2CZ36C7
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (human))
BDBM22202
PNG
(S1P | [32P]S1P | [33P]S1P | sphingosine-1-phosphat...)
Show SMILES CCCCCCCCCCCCC\C=C/C(O)C(N)COP(O)(O)=O
Show InChI InChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14-
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3.40 -44.9n/an/an/an/an/a7.54



Mitsubishi Pharma Corporation



Assay Description
Ki Values were determined by competition of [32P]-S1P binding to stably transfected CHO (S1P1,2,4) or RH7777 (S1P3,5) cells expressing the indicated ...


Bioorg Med Chem 13: 425-32 (2005)


Article DOI: 10.1016/j.bmc.2004.10.008
BindingDB Entry DOI: 10.7270/Q257199Q
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(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)


Article DOI: 10.1016/s0960-894x(00)00128-1
BindingDB Entry DOI: 10.7270/Q2CZ36C7
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM23163
PNG
(CHEMBL114606 | FTY720-phosphate, rac-2 | {2-amino-...)
Show SMILES CCCCCCCCc1ccc(CCC(N)(CO)COP(O)(O)=O)cc1
Show InChI InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)
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4.10 -44.5n/an/an/an/an/a7.54



Mitsubishi Pharma Corporation



Assay Description
Ki Values were determined by competition of [32P]-S1P binding to stably transfected CHO (S1P1,2,4) or RH7777 (S1P3,5) cells expressing the indicated ...


Bioorg Med Chem 13: 425-32 (2005)


Article DOI: 10.1016/j.bmc.2004.10.008
BindingDB Entry DOI: 10.7270/Q257199Q
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 5


(Homo sapiens (human))
BDBM23163
PNG
(CHEMBL114606 | FTY720-phosphate, rac-2 | {2-amino-...)
Show SMILES CCCCCCCCc1ccc(CCC(N)(CO)COP(O)(O)=O)cc1
Show InChI InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)
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4.20 -44.4n/an/an/an/an/a7.54



Mitsubishi Pharma Corporation



Assay Description
Ki Values were determined by competition of [32P]-S1P binding to stably transfected CHO (S1P1,2,4) or RH7777 (S1P3,5) cells expressing the indicated ...


Bioorg Med Chem 13: 425-32 (2005)


Article DOI: 10.1016/j.bmc.2004.10.008
BindingDB Entry DOI: 10.7270/Q257199Q
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ 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)


Article DOI: 10.1016/s0960-894x(00)00128-1
BindingDB Entry DOI: 10.7270/Q2CZ36C7
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM22202
PNG
(S1P | [32P]S1P | [33P]S1P | sphingosine-1-phosphat...)
Show SMILES CCCCCCCCCCCCC\C=C/C(O)C(N)COP(O)(O)=O
Show InChI InChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14-
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PubMed
5.40 -43.9n/an/an/an/an/a7.54



Mitsubishi Pharma Corporation



Assay Description
Ki Values were determined by competition of [32P]-S1P binding to stably transfected CHO (S1P1,2,4) or RH7777 (S1P3,5) cells expressing the indicated ...


Bioorg Med Chem 13: 425-32 (2005)


Article DOI: 10.1016/j.bmc.2004.10.008
BindingDB Entry DOI: 10.7270/Q257199Q
More data for this
Ligand-Target Pair
DRD2


(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)


Article DOI: 10.1016/s0960-894x(00)00128-1
BindingDB Entry DOI: 10.7270/Q2CZ36C7
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM23165
PNG
(CHEMBL366208 | FTY720-phosphate, (S)-2 | [(2S)-2-a...)
Show SMILES CCCCCCCCc1ccc(CC[C@](N)(CO)COP(O)(O)=O)cc1
Show InChI InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)/t19-/m0/s1
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5.90 -43.7n/an/an/an/an/a7.54



Mitsubishi Pharma Corporation



Assay Description
Ki Values were determined by competition of [32P]-S1P binding to stably transfected CHO (S1P1,2,4) or RH7777 (S1P3,5) cells expressing the indicated ...


Bioorg Med Chem 13: 425-32 (2005)


Article DOI: 10.1016/j.bmc.2004.10.008
BindingDB Entry DOI: 10.7270/Q257199Q
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(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)


Article DOI: 10.1016/s0960-894x(00)00128-1
BindingDB Entry DOI: 10.7270/Q2CZ36C7
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ 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)


Article DOI: 10.1016/s0960-894x(00)00128-1
BindingDB Entry DOI: 10.7270/Q2CZ36C7
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ 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)


Article DOI: 10.1016/s0960-894x(00)00128-1
BindingDB Entry DOI: 10.7270/Q2CZ36C7
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM23163
PNG
(CHEMBL114606 | FTY720-phosphate, rac-2 | {2-amino-...)
Show SMILES CCCCCCCCc1ccc(CCC(N)(CO)COP(O)(O)=O)cc1
Show InChI InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)
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PubMed
13 -41.8n/an/an/an/an/a7.54



Mitsubishi Pharma Corporation



Assay Description
Ki Values were determined by competition of [32P]-S1P binding to stably transfected CHO (S1P1,2,4) or RH7777 (S1P3,5) cells expressing the indicated ...


Bioorg Med Chem 13: 425-32 (2005)


Article DOI: 10.1016/j.bmc.2004.10.008
BindingDB Entry DOI: 10.7270/Q257199Q
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (human))
BDBM23165
PNG
(CHEMBL366208 | FTY720-phosphate, (S)-2 | [(2S)-2-a...)
Show SMILES CCCCCCCCc1ccc(CC[C@](N)(CO)COP(O)(O)=O)cc1
Show InChI InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)/t19-/m0/s1
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23 -40.5n/an/an/an/an/a7.54



Mitsubishi Pharma Corporation



Assay Description
Ki Values were determined by competition of [32P]-S1P binding to stably transfected CHO (S1P1,2,4) or RH7777 (S1P3,5) cells expressing the indicated ...


Bioorg Med Chem 13: 425-32 (2005)


Article DOI: 10.1016/j.bmc.2004.10.008
BindingDB Entry DOI: 10.7270/Q257199Q
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(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)


Article DOI: 10.1016/s0960-894x(00)00128-1
BindingDB Entry DOI: 10.7270/Q2CZ36C7
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (human))
BDBM23163
PNG
(CHEMBL114606 | FTY720-phosphate, rac-2 | {2-amino-...)
Show SMILES CCCCCCCCc1ccc(CCC(N)(CO)COP(O)(O)=O)cc1
Show InChI InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)
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37 -39.4n/an/an/an/an/a7.54



Mitsubishi Pharma Corporation



Assay Description
Ki Values were determined by competition of [32P]-S1P binding to stably transfected CHO (S1P1,2,4) or RH7777 (S1P3,5) cells expressing the indicated ...


Bioorg Med Chem 13: 425-32 (2005)


Article DOI: 10.1016/j.bmc.2004.10.008
BindingDB Entry DOI: 10.7270/Q257199Q
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)


Article DOI: 10.1016/s0960-894x(00)00128-1
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)


Article DOI: 10.1016/s0960-894x(00)00128-1
BindingDB Entry DOI: 10.7270/Q2CZ36C7
More data for this
Ligand-Target Pair
DRD2


(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)


Article DOI: 10.1016/s0960-894x(00)00128-1
BindingDB Entry DOI: 10.7270/Q2CZ36C7
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ 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)


Article DOI: 10.1016/s0960-894x(00)00128-1
BindingDB Entry DOI: 10.7270/Q2CZ36C7
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (human))
BDBM23164
PNG
(CHEMBL190006 | FTY720-phosphate, (R)-2 | [(2R)-2-a...)
Show SMILES CCCCCCCCc1ccc(CC[C@@](N)(CO)COP(O)(O)=O)cc1
Show InChI InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)/t19-/m1/s1
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105 -37.0n/an/an/an/an/a7.54



Mitsubishi Pharma Corporation



Assay Description
Ki Values were determined by competition of [32P]-S1P binding to stably transfected CHO (S1P1,2,4) or RH7777 (S1P3,5) cells expressing the indicated ...


Bioorg Med Chem 13: 425-32 (2005)


Article DOI: 10.1016/j.bmc.2004.10.008
BindingDB Entry DOI: 10.7270/Q257199Q
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 5


(Homo sapiens (human))
BDBM23164
PNG
(CHEMBL190006 | FTY720-phosphate, (R)-2 | [(2R)-2-a...)
Show SMILES CCCCCCCCc1ccc(CC[C@@](N)(CO)COP(O)(O)=O)cc1
Show InChI InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)/t19-/m1/s1
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121 -36.7n/an/an/an/an/a7.54



Mitsubishi Pharma Corporation



Assay Description
Ki Values were determined by competition of [32P]-S1P binding to stably transfected CHO (S1P1,2,4) or RH7777 (S1P3,5) cells expressing the indicated ...


Bioorg Med Chem 13: 425-32 (2005)


Article DOI: 10.1016/j.bmc.2004.10.008
BindingDB Entry DOI: 10.7270/Q257199Q
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)


Article DOI: 10.1016/s0960-894x(00)00128-1
BindingDB Entry DOI: 10.7270/Q2CZ36C7
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(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)


Article DOI: 10.1016/s0960-894x(00)00128-1
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)


Article DOI: 10.1016/s0960-894x(00)00128-1
BindingDB Entry DOI: 10.7270/Q2CZ36C7
More data for this
Ligand-Target Pair
DRD2


(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)


Article DOI: 10.1016/s0960-894x(00)00128-1
BindingDB Entry DOI: 10.7270/Q2CZ36C7
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM23164
PNG
(CHEMBL190006 | FTY720-phosphate, (R)-2 | [(2R)-2-a...)
Show SMILES CCCCCCCCc1ccc(CC[C@@](N)(CO)COP(O)(O)=O)cc1
Show InChI InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)/t19-/m1/s1
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277 -34.8n/an/an/an/an/a7.54



Mitsubishi Pharma Corporation



Assay Description
Ki Values were determined by competition of [32P]-S1P binding to stably transfected CHO (S1P1,2,4) or RH7777 (S1P3,5) cells expressing the indicated ...


Bioorg Med Chem 13: 425-32 (2005)


Article DOI: 10.1016/j.bmc.2004.10.008
BindingDB Entry DOI: 10.7270/Q257199Q
More data for this
Ligand-Target Pair
DRD2


(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)


Article DOI: 10.1016/s0960-894x(00)00128-1
BindingDB Entry DOI: 10.7270/Q2CZ36C7
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM23164
PNG
(CHEMBL190006 | FTY720-phosphate, (R)-2 | [(2R)-2-a...)
Show SMILES CCCCCCCCc1ccc(CC[C@@](N)(CO)COP(O)(O)=O)cc1
Show InChI InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)/t19-/m1/s1
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586 -33.1n/an/an/an/an/a7.54



Mitsubishi Pharma Corporation



Assay Description
Ki Values were determined by competition of [32P]-S1P binding to stably transfected CHO (S1P1,2,4) or RH7777 (S1P3,5) cells expressing the indicated ...


Bioorg Med Chem 13: 425-32 (2005)


Article DOI: 10.1016/j.bmc.2004.10.008
BindingDB Entry DOI: 10.7270/Q257199Q
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(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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>1.00E+3n/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)


Article DOI: 10.1016/s0960-894x(00)00128-1
BindingDB Entry DOI: 10.7270/Q2CZ36C7
More data for this
Ligand-Target Pair
DRD2


(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)


Article DOI: 10.1016/s0960-894x(00)00128-1
BindingDB Entry DOI: 10.7270/Q2CZ36C7
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(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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>1.00E+3n/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)


Article DOI: 10.1016/s0960-894x(00)00128-1
BindingDB Entry DOI: 10.7270/Q2CZ36C7
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(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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>1.00E+3n/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)


Article DOI: 10.1016/s0960-894x(00)00128-1
BindingDB Entry DOI: 10.7270/Q2CZ36C7
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ 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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>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)


Article DOI: 10.1016/s0960-894x(00)00128-1
BindingDB Entry DOI: 10.7270/Q2CZ36C7
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ 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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>1.00E+3n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor


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


Article DOI: 10.1016/s0960-894x(00)00128-1
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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>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 Coagulation factor X.


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


Article DOI: 10.1016/s0960-894x(00)00128-1
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)


Article DOI: 10.1016/s0960-894x(00)00128-1
BindingDB Entry DOI: 10.7270/Q2CZ36C7
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ 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)


Article DOI: 10.1016/s0960-894x(00)00128-1
BindingDB Entry DOI: 10.7270/Q2CZ36C7
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ 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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>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 Coagulation factor X.


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


Article DOI: 10.1016/s0960-894x(00)00128-1
BindingDB Entry DOI: 10.7270/Q2CZ36C7
More data for this
Ligand-Target Pair
DRD2


(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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>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)


Article DOI: 10.1016/s0960-894x(00)00128-1
BindingDB Entry DOI: 10.7270/Q2CZ36C7
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(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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>1.00E+3n/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)


Article DOI: 10.1016/s0960-894x(00)00128-1
BindingDB Entry DOI: 10.7270/Q2CZ36C7
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (human))
BDBM23165
PNG
(CHEMBL366208 | FTY720-phosphate, (S)-2 | [(2S)-2-a...)
Show SMILES CCCCCCCCc1ccc(CC[C@](N)(CO)COP(O)(O)=O)cc1
Show InChI InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)/t19-/m0/s1
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>1.00E+3>-31.8n/an/an/an/an/a7.54



Mitsubishi Pharma Corporation



Assay Description
Ki Values were determined by competition of [32P]-S1P binding to stably transfected CHO (S1P1,2,4) or RH7777 (S1P3,5) cells expressing the indicated ...


Bioorg Med Chem 13: 425-32 (2005)


Article DOI: 10.1016/j.bmc.2004.10.008
BindingDB Entry DOI: 10.7270/Q257199Q
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)


Article DOI: 10.1016/s0960-894x(00)00128-1
BindingDB Entry DOI: 10.7270/Q2CZ36C7
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (human))
BDBM23164
PNG
(CHEMBL190006 | FTY720-phosphate, (R)-2 | [(2R)-2-a...)
Show SMILES CCCCCCCCc1ccc(CC[C@@](N)(CO)COP(O)(O)=O)cc1
Show InChI InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)/t19-/m1/s1
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>1.00E+3>-31.8n/an/an/an/an/a7.54



Mitsubishi Pharma Corporation



Assay Description
Ki Values were determined by competition of [32P]-S1P binding to stably transfected CHO (S1P1,2,4) or RH7777 (S1P3,5) cells expressing the indicated ...


Bioorg Med Chem 13: 425-32 (2005)


Article DOI: 10.1016/j.bmc.2004.10.008
BindingDB Entry DOI: 10.7270/Q257199Q
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (human))
BDBM23163
PNG
(CHEMBL114606 | FTY720-phosphate, rac-2 | {2-amino-...)
Show SMILES CCCCCCCCc1ccc(CCC(N)(CO)COP(O)(O)=O)cc1
Show InChI InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)
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>1.00E+3>-31.8n/an/an/an/an/a7.54



Mitsubishi Pharma Corporation



Assay Description
Ki Values were determined by competition of [32P]-S1P binding to stably transfected CHO (S1P1,2,4) or RH7777 (S1P3,5) cells expressing the indicated ...


Bioorg Med Chem 13: 425-32 (2005)


Article DOI: 10.1016/j.bmc.2004.10.008
BindingDB Entry DOI: 10.7270/Q257199Q
More data for this
Ligand-Target Pair
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