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Compile Data Set for Download or QSAR

Found 56 hits with Last Name = 'takeda' and Initial = 't'   
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
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50171475
PNG
(CHEMBL190288 | {3-[2-(Diphenyl-ethanesulfonyl)-eth...)
Show SMILES CC(c1ccccc1)(c1ccccc1)S(=O)(=O)CCc1c(CO)oc2c(OCC(O)=O)cccc12
Show InChI InChI=1S/C27H26O7S/c1-27(19-9-4-2-5-10-19,20-11-6-3-7-12-20)35(31,32)16-15-21-22-13-8-14-23(33-18-25(29)30)26(22)34-24(21)17-28/h2-14,28H,15-18H2,1H3,(H,29,30)
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4.30n/an/an/an/an/an/an/an/a



Toray Industries Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SQ-29,548 binding to thromboxane A2 receptors (TP) of human platelet membrane


J Med Chem 48: 5279-94 (2005)


Article DOI: 10.1021/jm050194z
BindingDB Entry DOI: 10.7270/Q2J67GGC
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50171478
PNG
(CHEMBL190236 | {3-[2-(1,1-Diphenyl-ethylsulfanyl)-...)
Show SMILES CC(SCCc1c(CO)oc2c(OCC(O)=O)cccc12)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H26O5S/c1-27(19-9-4-2-5-10-19,20-11-6-3-7-12-20)33-16-15-21-22-13-8-14-23(31-18-25(29)30)26(22)32-24(21)17-28/h2-14,28H,15-18H2,1H3,(H,29,30)
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4.5n/an/an/an/an/an/an/an/a



Toray Industries Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SQ-29,548 binding to thromboxane A2 receptors (TP) of human platelet membrane


J Med Chem 48: 5279-94 (2005)


Article DOI: 10.1021/jm050194z
BindingDB Entry DOI: 10.7270/Q2J67GGC
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50171477
PNG
(CHEMBL191056 | {3-[2-(1,1-Diphenyl-ethylsulfanyl)-...)
Show SMILES CC(SCCc1coc2c(OCC(O)=O)cccc12)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H24O4S/c1-26(20-9-4-2-5-10-20,21-11-6-3-7-12-21)31-16-15-19-17-30-25-22(19)13-8-14-23(25)29-18-24(27)28/h2-14,17H,15-16,18H2,1H3,(H,27,28)
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26n/an/an/an/an/an/an/an/a



Toray Industries Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SQ-29,548 binding to thromboxane A2 receptors (TP) of human platelet membrane


J Med Chem 48: 5279-94 (2005)


Article DOI: 10.1021/jm050194z
BindingDB Entry DOI: 10.7270/Q2J67GGC
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50171483
PNG
(CHEMBL365501 | {3-[2-(Diphenyl-ethanesulfinyl)-eth...)
Show SMILES CC(c1ccccc1)(c1ccccc1)S(=O)CCc1c(CO)oc2c(OCC(O)=O)cccc12
Show InChI InChI=1S/C27H26O6S/c1-27(19-9-4-2-5-10-19,20-11-6-3-7-12-20)34(31)16-15-21-22-13-8-14-23(32-18-25(29)30)26(22)33-24(21)17-28/h2-14,28H,15-18H2,1H3,(H,29,30)
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51n/an/an/an/an/an/an/an/a



Toray Industries Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SQ-29,548 binding to thromboxane A2 receptors (TP) of human platelet membrane


J Med Chem 48: 5279-94 (2005)


Article DOI: 10.1021/jm050194z
BindingDB Entry DOI: 10.7270/Q2J67GGC
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50171472
PNG
(CHEMBL190840 | [3-[2-(1,1-Diphenyl-ethylsulfanyl)-...)
Show SMILES CC(SCCc1c(CCCO)oc2c(OCC(O)=O)cccc12)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H30O5S/c1-29(21-10-4-2-5-11-21,22-12-6-3-7-13-22)35-19-17-23-24-14-8-15-26(33-20-27(31)32)28(24)34-25(23)16-9-18-30/h2-8,10-15,30H,9,16-20H2,1H3,(H,31,32)
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72n/an/an/an/an/an/an/an/a



Toray Industries Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SQ-29,548 binding to thromboxane A2 receptors (TP) of human platelet membrane


J Med Chem 48: 5279-94 (2005)


Article DOI: 10.1021/jm050194z
BindingDB Entry DOI: 10.7270/Q2J67GGC
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50171474
PNG
(CHEMBL192662 | [3-[2-(1,1-Diphenyl-ethylsulfanyl)-...)
Show SMILES CC(SCCc1c(CCO)oc2c(OCC(O)=O)cccc12)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H28O5S/c1-28(20-9-4-2-5-10-20,21-11-6-3-7-12-21)34-18-16-22-23-13-8-14-25(32-19-26(30)31)27(23)33-24(22)15-17-29/h2-14,29H,15-19H2,1H3,(H,30,31)
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78n/an/an/an/an/an/an/an/a



Toray Industries Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SQ-29,548 binding to thromboxane A2 receptors (TP) of human platelet membrane


J Med Chem 48: 5279-94 (2005)


Article DOI: 10.1021/jm050194z
BindingDB Entry DOI: 10.7270/Q2J67GGC
More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50171466
PNG
(CHEMBL361939 | {3-[2-(2,2-Diphenyl-ethylsulfanyl)-...)
Show SMILES OC(=O)COc1cccc2c(CCSCC(c3ccccc3)c3ccccc3)coc12
Show InChI InChI=1S/C26H24O4S/c27-25(28)17-29-24-13-7-12-22-21(16-30-26(22)24)14-15-31-18-23(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-13,16,23H,14-15,17-18H2,(H,27,28)
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80n/an/an/an/an/an/an/an/a



Toray Industries Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-APS-314d binding to prostacyclin receptors (IP) of human platelet membrane


J Med Chem 48: 5279-94 (2005)


Article DOI: 10.1021/jm050194z
BindingDB Entry DOI: 10.7270/Q2J67GGC
More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50171466
PNG
(CHEMBL361939 | {3-[2-(2,2-Diphenyl-ethylsulfanyl)-...)
Show SMILES OC(=O)COc1cccc2c(CCSCC(c3ccccc3)c3ccccc3)coc12
Show InChI InChI=1S/C26H24O4S/c27-25(28)17-29-24-13-7-12-22-21(16-30-26(22)24)14-15-31-18-23(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-13,16,23H,14-15,17-18H2,(H,27,28)
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80n/an/an/an/an/an/an/an/a



Toray Industries Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-APS-314d binding to prostacyclin receptors (IP) of human platelet membrane


J Med Chem 48: 5279-94 (2005)


Article DOI: 10.1021/jm050194z
BindingDB Entry DOI: 10.7270/Q2J67GGC
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50171465
PNG
(CHEMBL190708 | [3-(2-Benzhydrylsulfanyl-ethyl)-2-h...)
Show SMILES OCc1oc2c(OCC(O)=O)cccc2c1CCSC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H24O5S/c27-16-23-20(21-12-7-13-22(25(21)31-23)30-17-24(28)29)14-15-32-26(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-13,26-27H,14-17H2,(H,28,29)
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88n/an/an/an/an/an/an/an/a



Toray Industries Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SQ-29,548 binding to thromboxane A2 receptors (TP) of human platelet membrane


J Med Chem 48: 5279-94 (2005)


Article DOI: 10.1021/jm050194z
BindingDB Entry DOI: 10.7270/Q2J67GGC
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50171480
PNG
(CHEMBL191118 | {2-Hydroxymethyl-3-[2-(2,2,2-triflu...)
Show SMILES OCc1oc2c(OCC(O)=O)cccc2c1CCSC(c1ccccc1)(c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C27H23F3O5S/c28-27(29,30)26(18-8-3-1-4-9-18,19-10-5-2-6-11-19)36-15-14-20-21-12-7-13-22(34-17-24(32)33)25(21)35-23(20)16-31/h1-13,31H,14-17H2,(H,32,33)
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150n/an/an/an/an/an/an/an/a



Toray Industries Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SQ-29,548 binding to thromboxane A2 receptors (TP) of human platelet membrane


J Med Chem 48: 5279-94 (2005)


Article DOI: 10.1021/jm050194z
BindingDB Entry DOI: 10.7270/Q2J67GGC
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50171479
PNG
(CHEMBL189694 | {3-[2-(1,1-Diphenyl-propylsulfanyl)...)
Show SMILES CCC(SCCc1c(CO)oc2c(OCC(O)=O)cccc12)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H28O5S/c1-2-28(20-10-5-3-6-11-20,21-12-7-4-8-13-21)34-17-16-22-23-14-9-15-24(32-19-26(30)31)27(23)33-25(22)18-29/h3-15,29H,2,16-19H2,1H3,(H,30,31)
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180n/an/an/an/an/an/an/an/a



Toray Industries Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SQ-29,548 binding to thromboxane A2 receptors (TP) of human platelet membrane


J Med Chem 48: 5279-94 (2005)


Article DOI: 10.1021/jm050194z
BindingDB Entry DOI: 10.7270/Q2J67GGC
More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50171474
PNG
(CHEMBL192662 | [3-[2-(1,1-Diphenyl-ethylsulfanyl)-...)
Show SMILES CC(SCCc1c(CCO)oc2c(OCC(O)=O)cccc12)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H28O5S/c1-28(20-9-4-2-5-10-20,21-11-6-3-7-12-21)34-18-16-22-23-13-8-14-25(32-19-26(30)31)27(23)33-24(22)15-17-29/h2-14,29H,15-19H2,1H3,(H,30,31)
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210n/an/an/an/an/an/an/an/a



Toray Industries Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-APS-314d binding to prostacyclin receptors (IP) of human platelet membrane


J Med Chem 48: 5279-94 (2005)


Article DOI: 10.1021/jm050194z
BindingDB Entry DOI: 10.7270/Q2J67GGC
More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50171473
PNG
(CHEMBL187758 | [3-(3-Benzhydrylsulfanyl-propyl)-be...)
Show SMILES OC(=O)COc1cccc2c(CCCSC(c3ccccc3)c3ccccc3)coc12
Show InChI InChI=1S/C26H24O4S/c27-24(28)18-29-23-15-7-14-22-21(17-30-25(22)23)13-8-16-31-26(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-7,9-12,14-15,17,26H,8,13,16,18H2,(H,27,28)
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270n/an/an/an/an/an/an/an/a



Toray Industries Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-APS-314d binding to prostacyclin receptors (IP) of human platelet membrane


J Med Chem 48: 5279-94 (2005)


Article DOI: 10.1021/jm050194z
BindingDB Entry DOI: 10.7270/Q2J67GGC
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50171469
PNG
(CHEMBL188384 | [3-(2-Benzhydrylsulfanyl-ethyl)-ben...)
Show SMILES OC(=O)COc1cccc2c(CCSC(c3ccccc3)c3ccccc3)coc12
Show InChI InChI=1S/C25H22O4S/c26-23(27)17-28-22-13-7-12-21-20(16-29-24(21)22)14-15-30-25(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-13,16,25H,14-15,17H2,(H,26,27)
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310n/an/an/an/an/an/an/an/a



Toray Industries Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SQ-29,548 binding to thromboxane A2 receptors (TP) of human platelet membrane


J Med Chem 48: 5279-94 (2005)


Article DOI: 10.1021/jm050194z
BindingDB Entry DOI: 10.7270/Q2J67GGC
More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50171484
PNG
(CHEMBL188758 | {3-[3-(2,2-Diphenyl-ethylsulfanyl)-...)
Show SMILES OC(=O)COc1cccc2c(CCCSCC(c3ccccc3)c3ccccc3)coc12
Show InChI InChI=1S/C27H26O4S/c28-26(29)18-30-25-15-7-14-23-22(17-31-27(23)25)13-8-16-32-19-24(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-7,9-12,14-15,17,24H,8,13,16,18-19H2,(H,28,29)
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400n/an/an/an/an/an/an/an/a



Toray Industries Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-APS-314d binding to prostacyclin receptors (IP) of human platelet membrane


J Med Chem 48: 5279-94 (2005)


Article DOI: 10.1021/jm050194z
BindingDB Entry DOI: 10.7270/Q2J67GGC
More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50171469
PNG
(CHEMBL188384 | [3-(2-Benzhydrylsulfanyl-ethyl)-ben...)
Show SMILES OC(=O)COc1cccc2c(CCSC(c3ccccc3)c3ccccc3)coc12
Show InChI InChI=1S/C25H22O4S/c26-23(27)17-28-22-13-7-12-21-20(16-29-24(21)22)14-15-30-25(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-13,16,25H,14-15,17H2,(H,26,27)
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410n/an/an/an/an/an/an/an/a



Toray Industries Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-APS-314d binding to prostacyclin receptors (IP) of human platelet membrane


J Med Chem 48: 5279-94 (2005)


Article DOI: 10.1021/jm050194z
BindingDB Entry DOI: 10.7270/Q2J67GGC
More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50171478
PNG
(CHEMBL190236 | {3-[2-(1,1-Diphenyl-ethylsulfanyl)-...)
Show SMILES CC(SCCc1c(CO)oc2c(OCC(O)=O)cccc12)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H26O5S/c1-27(19-9-4-2-5-10-19,20-11-6-3-7-12-20)33-16-15-21-22-13-8-14-23(31-18-25(29)30)26(22)32-24(21)17-28/h2-14,28H,15-18H2,1H3,(H,29,30)
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530n/an/an/an/an/an/an/an/a



Toray Industries Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-APS-314d binding to prostacyclin receptors (IP) of human platelet membrane


J Med Chem 48: 5279-94 (2005)


Article DOI: 10.1021/jm050194z
BindingDB Entry DOI: 10.7270/Q2J67GGC
More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50171482
PNG
(CHEMBL190735 | {3-[2-(3,3-Diphenyl-propylsulfanyl)...)
Show SMILES OC(=O)COc1cccc2c(CCSCCC(c3ccccc3)c3ccccc3)coc12
Show InChI InChI=1S/C27H26O4S/c28-26(29)19-30-25-13-7-12-24-22(18-31-27(24)25)14-16-32-17-15-23(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-13,18,23H,14-17,19H2,(H,28,29)
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560n/an/an/an/an/an/an/an/a



Toray Industries Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-APS-314d binding to prostacyclin receptors (IP) of human platelet membrane


J Med Chem 48: 5279-94 (2005)


Article DOI: 10.1021/jm050194z
BindingDB Entry DOI: 10.7270/Q2J67GGC
More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50171477
PNG
(CHEMBL191056 | {3-[2-(1,1-Diphenyl-ethylsulfanyl)-...)
Show SMILES CC(SCCc1coc2c(OCC(O)=O)cccc12)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H24O4S/c1-26(20-9-4-2-5-10-20,21-11-6-3-7-12-21)31-16-15-19-17-30-25-22(19)13-8-14-23(25)29-18-24(27)28/h2-14,17H,15-16,18H2,1H3,(H,27,28)
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570n/an/an/an/an/an/an/an/a



Toray Industries Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-APS-314d binding to prostacyclin receptors (IP) of human platelet membrane


J Med Chem 48: 5279-94 (2005)


Article DOI: 10.1021/jm050194z
BindingDB Entry DOI: 10.7270/Q2J67GGC
More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50171471
PNG
(CHEMBL189063 | [3-(3,3-Diphenyl-propylsulfanylmeth...)
Show SMILES OC(=O)COc1cccc2c(CSCCC(c3ccccc3)c3ccccc3)coc12
Show InChI InChI=1S/C26H24O4S/c27-25(28)17-29-24-13-7-12-23-21(16-30-26(23)24)18-31-15-14-22(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-13,16,22H,14-15,17-18H2,(H,27,28)
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580n/an/an/an/an/an/an/an/a



Toray Industries Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-APS-314d binding to prostacyclin receptors (IP) of human platelet membrane


J Med Chem 48: 5279-94 (2005)


Article DOI: 10.1021/jm050194z
BindingDB Entry DOI: 10.7270/Q2J67GGC
More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50171464
PNG
(CHEMBL187544 | [3-(2,2-Diphenyl-ethylsulfanylmethy...)
Show SMILES OC(=O)COc1cccc2c(CSCC(c3ccccc3)c3ccccc3)coc12
Show InChI InChI=1S/C25H22O4S/c26-24(27)15-28-23-13-7-12-21-20(14-29-25(21)23)16-30-17-22(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-14,22H,15-17H2,(H,26,27)
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680n/an/an/an/an/an/an/an/a



Toray Industries Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-APS-314d binding to prostacyclin receptors (IP) of human platelet membrane


J Med Chem 48: 5279-94 (2005)


Article DOI: 10.1021/jm050194z
BindingDB Entry DOI: 10.7270/Q2J67GGC
More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50171465
PNG
(CHEMBL190708 | [3-(2-Benzhydrylsulfanyl-ethyl)-2-h...)
Show SMILES OCc1oc2c(OCC(O)=O)cccc2c1CCSC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H24O5S/c27-16-23-20(21-12-7-13-22(25(21)31-23)30-17-24(28)29)14-15-32-26(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-13,26-27H,14-17H2,(H,28,29)
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750n/an/an/an/an/an/an/an/a



Toray Industries Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-APS-314d binding to prostacyclin receptors (IP) of human platelet membrane


J Med Chem 48: 5279-94 (2005)


Article DOI: 10.1021/jm050194z
BindingDB Entry DOI: 10.7270/Q2J67GGC
More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50171480
PNG
(CHEMBL191118 | {2-Hydroxymethyl-3-[2-(2,2,2-triflu...)
Show SMILES OCc1oc2c(OCC(O)=O)cccc2c1CCSC(c1ccccc1)(c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C27H23F3O5S/c28-27(29,30)26(18-8-3-1-4-9-18,19-10-5-2-6-11-19)36-15-14-20-21-12-7-13-22(34-17-24(32)33)25(21)35-23(20)16-31/h1-13,31H,14-17H2,(H,32,33)
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760n/an/an/an/an/an/an/an/a



Toray Industries Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-APS-314d binding to prostacyclin receptors (IP) of human platelet membrane


J Med Chem 48: 5279-94 (2005)


Article DOI: 10.1021/jm050194z
BindingDB Entry DOI: 10.7270/Q2J67GGC
More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50171475
PNG
(CHEMBL190288 | {3-[2-(Diphenyl-ethanesulfonyl)-eth...)
Show SMILES CC(c1ccccc1)(c1ccccc1)S(=O)(=O)CCc1c(CO)oc2c(OCC(O)=O)cccc12
Show InChI InChI=1S/C27H26O7S/c1-27(19-9-4-2-5-10-19,20-11-6-3-7-12-20)35(31,32)16-15-21-22-13-8-14-23(33-18-25(29)30)26(22)34-24(21)17-28/h2-14,28H,15-18H2,1H3,(H,29,30)
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1.90E+3n/an/an/an/an/an/an/an/a



Toray Industries Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-APS-314d binding to prostacyclin receptors (IP) of human platelet membrane


J Med Chem 48: 5279-94 (2005)


Article DOI: 10.1021/jm050194z
BindingDB Entry DOI: 10.7270/Q2J67GGC
More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50171470
PNG
(CHEMBL191162 | {3-[2-(1,1-Diphenyl-butylsulfanyl)-...)
Show SMILES CCCC(SCCc1c(CO)oc2c(OCC(O)=O)cccc12)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H30O5S/c1-2-17-29(21-10-5-3-6-11-21,22-12-7-4-8-13-22)35-18-16-23-24-14-9-15-25(33-20-27(31)32)28(24)34-26(23)19-30/h3-15,30H,2,16-20H2,1H3,(H,31,32)
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>2.30E+3n/an/an/an/an/an/an/an/a



Toray Industries Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-APS-314d binding to prostacyclin receptors (IP) of human platelet membrane


J Med Chem 48: 5279-94 (2005)


Article DOI: 10.1021/jm050194z
BindingDB Entry DOI: 10.7270/Q2J67GGC
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50171464
PNG
(CHEMBL187544 | [3-(2,2-Diphenyl-ethylsulfanylmethy...)
Show SMILES OC(=O)COc1cccc2c(CSCC(c3ccccc3)c3ccccc3)coc12
Show InChI InChI=1S/C25H22O4S/c26-24(27)15-28-23-13-7-12-21-20(14-29-25(21)23)16-30-17-22(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-14,22H,15-17H2,(H,26,27)
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2.50E+3n/an/an/an/an/an/an/an/a



Toray Industries Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SQ-29,548 binding to thromboxane A2 receptors (TP) of human platelet membrane


J Med Chem 48: 5279-94 (2005)


Article DOI: 10.1021/jm050194z
BindingDB Entry DOI: 10.7270/Q2J67GGC
More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50171467
PNG
(CHEMBL191175 | {3-[3-(3,3-Diphenyl-propylsulfanyl)...)
Show SMILES OC(=O)COc1cccc2c(CCCSCCC(c3ccccc3)c3ccccc3)coc12
Show InChI InChI=1S/C28H28O4S/c29-27(30)20-31-26-15-7-14-25-23(19-32-28(25)26)13-8-17-33-18-16-24(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-7,9-12,14-15,19,24H,8,13,16-18,20H2,(H,29,30)
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2.90E+3n/an/an/an/an/an/an/an/a



Toray Industries Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-APS-314d binding to prostacyclin receptors (IP) of human platelet membrane


J Med Chem 48: 5279-94 (2005)


Article DOI: 10.1021/jm050194z
BindingDB Entry DOI: 10.7270/Q2J67GGC
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50171466
PNG
(CHEMBL361939 | {3-[2-(2,2-Diphenyl-ethylsulfanyl)-...)
Show SMILES OC(=O)COc1cccc2c(CCSCC(c3ccccc3)c3ccccc3)coc12
Show InChI InChI=1S/C26H24O4S/c27-25(28)17-29-24-13-7-12-22-21(16-30-26(22)24)14-15-31-18-23(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-13,16,23H,14-15,17-18H2,(H,27,28)
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3.10E+3n/an/an/an/an/an/an/an/a



Toray Industries Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SQ-29,548 binding to thromboxane A2 receptors (TP) of human platelet membrane


J Med Chem 48: 5279-94 (2005)


Article DOI: 10.1021/jm050194z
BindingDB Entry DOI: 10.7270/Q2J67GGC
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50171473
PNG
(CHEMBL187758 | [3-(3-Benzhydrylsulfanyl-propyl)-be...)
Show SMILES OC(=O)COc1cccc2c(CCCSC(c3ccccc3)c3ccccc3)coc12
Show InChI InChI=1S/C26H24O4S/c27-24(28)18-29-23-15-7-14-22-21(17-30-25(22)23)13-8-16-31-26(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-7,9-12,14-15,17,26H,8,13,16,18H2,(H,27,28)
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3.10E+3n/an/an/an/an/an/an/an/a



Toray Industries Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SQ-29,548 binding to thromboxane A2 receptors (TP) of human platelet membrane


J Med Chem 48: 5279-94 (2005)


Article DOI: 10.1021/jm050194z
BindingDB Entry DOI: 10.7270/Q2J67GGC
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50171466
PNG
(CHEMBL361939 | {3-[2-(2,2-Diphenyl-ethylsulfanyl)-...)
Show SMILES OC(=O)COc1cccc2c(CCSCC(c3ccccc3)c3ccccc3)coc12
Show InChI InChI=1S/C26H24O4S/c27-25(28)17-29-24-13-7-12-22-21(16-30-26(22)24)14-15-31-18-23(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-13,16,23H,14-15,17-18H2,(H,27,28)
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3.10E+3n/an/an/an/an/an/an/an/a



Toray Industries Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SQ-29,548 binding to thromboxane A2 receptors (TP) of human platelet membrane


J Med Chem 48: 5279-94 (2005)


Article DOI: 10.1021/jm050194z
BindingDB Entry DOI: 10.7270/Q2J67GGC
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50171471
PNG
(CHEMBL189063 | [3-(3,3-Diphenyl-propylsulfanylmeth...)
Show SMILES OC(=O)COc1cccc2c(CSCCC(c3ccccc3)c3ccccc3)coc12
Show InChI InChI=1S/C26H24O4S/c27-25(28)17-29-24-13-7-12-23-21(16-30-26(23)24)18-31-15-14-22(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-13,16,22H,14-15,17-18H2,(H,27,28)
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3.10E+3n/an/an/an/an/an/an/an/a



Toray Industries Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SQ-29,548 binding to thromboxane A2 receptors (TP) of human platelet membrane


J Med Chem 48: 5279-94 (2005)


Article DOI: 10.1021/jm050194z
BindingDB Entry DOI: 10.7270/Q2J67GGC
More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50171479
PNG
(CHEMBL189694 | {3-[2-(1,1-Diphenyl-propylsulfanyl)...)
Show SMILES CCC(SCCc1c(CO)oc2c(OCC(O)=O)cccc12)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H28O5S/c1-2-28(20-10-5-3-6-11-20,21-12-7-4-8-13-21)34-17-16-22-23-14-9-15-24(32-19-26(30)31)27(23)33-25(22)18-29/h3-15,29H,2,16-19H2,1H3,(H,30,31)
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3.40E+3n/an/an/an/an/an/an/an/a



Toray Industries Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-APS-314d binding to prostacyclin receptors (IP) of human platelet membrane


J Med Chem 48: 5279-94 (2005)


Article DOI: 10.1021/jm050194z
BindingDB Entry DOI: 10.7270/Q2J67GGC
More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50171481
PNG
((3-Benzhydrylsulfanylmethyl-benzofuran-7-yloxy)-ac...)
Show SMILES OC(=O)COc1cccc2c(CSC(c3ccccc3)c3ccccc3)coc12
Show InChI InChI=1S/C24H20O4S/c25-22(26)15-27-21-13-7-12-20-19(14-28-23(20)21)16-29-24(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-14,24H,15-16H2,(H,25,26)
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4.70E+3n/an/an/an/an/an/an/an/a



Toray Industries Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-APS-314d binding to prostacyclin receptors (IP) of human platelet membrane


J Med Chem 48: 5279-94 (2005)


Article DOI: 10.1021/jm050194z
BindingDB Entry DOI: 10.7270/Q2J67GGC
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50171481
PNG
((3-Benzhydrylsulfanylmethyl-benzofuran-7-yloxy)-ac...)
Show SMILES OC(=O)COc1cccc2c(CSC(c3ccccc3)c3ccccc3)coc12
Show InChI InChI=1S/C24H20O4S/c25-22(26)15-27-21-13-7-12-20-19(14-28-23(20)21)16-29-24(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-14,24H,15-16H2,(H,25,26)
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5.10E+3n/an/an/an/an/an/an/an/a



Toray Industries Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SQ-29,548 binding to thromboxane A2 receptors (TP) of human platelet membrane


J Med Chem 48: 5279-94 (2005)


Article DOI: 10.1021/jm050194z
BindingDB Entry DOI: 10.7270/Q2J67GGC
More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50171472
PNG
(CHEMBL190840 | [3-[2-(1,1-Diphenyl-ethylsulfanyl)-...)
Show SMILES CC(SCCc1c(CCCO)oc2c(OCC(O)=O)cccc12)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H30O5S/c1-29(21-10-4-2-5-11-21,22-12-6-3-7-13-22)35-19-17-23-24-14-8-15-26(33-20-27(31)32)28(24)34-25(23)16-9-18-30/h2-8,10-15,30H,9,16-20H2,1H3,(H,31,32)
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5.80E+3n/an/an/an/an/an/an/an/a



Toray Industries Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-APS-314d binding to prostacyclin receptors (IP) of human platelet membrane


J Med Chem 48: 5279-94 (2005)


Article DOI: 10.1021/jm050194z
BindingDB Entry DOI: 10.7270/Q2J67GGC
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50171470
PNG
(CHEMBL191162 | {3-[2-(1,1-Diphenyl-butylsulfanyl)-...)
Show SMILES CCCC(SCCc1c(CO)oc2c(OCC(O)=O)cccc12)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H30O5S/c1-2-17-29(21-10-5-3-6-11-21,22-12-7-4-8-13-22)35-18-16-23-24-14-9-15-25(33-20-27(31)32)28(24)34-26(23)19-30/h3-15,30H,2,16-20H2,1H3,(H,31,32)
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>5.90E+3n/an/an/an/an/an/an/an/a



Toray Industries Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SQ-29,548 binding to thromboxane A2 receptors (TP) of human platelet membrane


J Med Chem 48: 5279-94 (2005)


Article DOI: 10.1021/jm050194z
BindingDB Entry DOI: 10.7270/Q2J67GGC
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50171482
PNG
(CHEMBL190735 | {3-[2-(3,3-Diphenyl-propylsulfanyl)...)
Show SMILES OC(=O)COc1cccc2c(CCSCCC(c3ccccc3)c3ccccc3)coc12
Show InChI InChI=1S/C27H26O4S/c28-26(29)19-30-25-13-7-12-24-22(18-31-27(24)25)14-16-32-17-15-23(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-13,18,23H,14-17,19H2,(H,28,29)
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>1.00E+4n/an/an/an/an/an/an/an/a



Toray Industries Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SQ-29,548 binding to thromboxane A2 receptors (TP) of human platelet membrane


J Med Chem 48: 5279-94 (2005)


Article DOI: 10.1021/jm050194z
BindingDB Entry DOI: 10.7270/Q2J67GGC
More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50171483
PNG
(CHEMBL365501 | {3-[2-(Diphenyl-ethanesulfinyl)-eth...)
Show SMILES CC(c1ccccc1)(c1ccccc1)S(=O)CCc1c(CO)oc2c(OCC(O)=O)cccc12
Show InChI InChI=1S/C27H26O6S/c1-27(19-9-4-2-5-10-19,20-11-6-3-7-12-20)34(31)16-15-21-22-13-8-14-23(32-18-25(29)30)26(22)33-24(21)17-28/h2-14,28H,15-18H2,1H3,(H,29,30)
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>1.00E+4n/an/an/an/an/an/an/an/a



Toray Industries Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-APS-314d binding to prostacyclin receptors (IP) of human platelet membrane


J Med Chem 48: 5279-94 (2005)


Article DOI: 10.1021/jm050194z
BindingDB Entry DOI: 10.7270/Q2J67GGC
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50171484
PNG
(CHEMBL188758 | {3-[3-(2,2-Diphenyl-ethylsulfanyl)-...)
Show SMILES OC(=O)COc1cccc2c(CCCSCC(c3ccccc3)c3ccccc3)coc12
Show InChI InChI=1S/C27H26O4S/c28-26(29)18-30-25-15-7-14-23-22(17-31-27(23)25)13-8-16-32-19-24(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-7,9-12,14-15,17,24H,8,13,16,18-19H2,(H,28,29)
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>1.50E+4n/an/an/an/an/an/an/an/a



Toray Industries Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SQ-29,548 binding to thromboxane A2 receptors (TP) of human platelet membrane


J Med Chem 48: 5279-94 (2005)


Article DOI: 10.1021/jm050194z
BindingDB Entry DOI: 10.7270/Q2J67GGC
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50171467
PNG
(CHEMBL191175 | {3-[3-(3,3-Diphenyl-propylsulfanyl)...)
Show SMILES OC(=O)COc1cccc2c(CCCSCCC(c3ccccc3)c3ccccc3)coc12
Show InChI InChI=1S/C28H28O4S/c29-27(30)20-31-26-15-7-14-25-23(19-32-28(25)26)13-8-17-33-18-16-24(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-7,9-12,14-15,19,24H,8,13,16-18,20H2,(H,29,30)
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>1.50E+4n/an/an/an/an/an/an/an/a



Toray Industries Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SQ-29,548 binding to thromboxane A2 receptors (TP) of human platelet membrane


J Med Chem 48: 5279-94 (2005)


Article DOI: 10.1021/jm050194z
BindingDB Entry DOI: 10.7270/Q2J67GGC
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM50383776
PNG
(CHEMBL2030594)
Show SMILES COC(OC)C1=C(C(C(C=N1)C(O)=O)c1ccc(Cl)c(Cl)c1)C(=O)OC\C=C\c1ccccc1 |c:9,t:5|
Show InChI InChI=1S/C25H23Cl2NO6/c1-32-25(33-2)22-21(24(31)34-12-6-9-15-7-4-3-5-8-15)20(17(14-28-22)23(29)30)16-10-11-18(26)19(27)13-16/h3-11,13-14,17,20,25H,12H2,1-2H3,(H,29,30)/b9-6+
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n/an/a 520n/an/an/an/an/an/a



Ajinomoto Pharmaceuticals Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-type voltage-dependent calcium channel CaV2.2 in human IMR32 cells assessed as inhibition of KCl-induced increase in intracellular ca...


Bioorg Med Chem Lett 22: 3639-42 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.051
BindingDB Entry DOI: 10.7270/Q2QV3NJX
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM50383765
PNG
(CHEMBL2030603)
Show SMILES COc1c(Cl)cc(cc1Cl)C1C(C=NC=C1C(=O)OC\C=C\c1ccccc1)C(O)=O |c:13,15|
Show InChI InChI=1S/C23H19Cl2NO5/c1-30-21-18(24)10-15(11-19(21)25)20-16(22(27)28)12-26-13-17(20)23(29)31-9-5-8-14-6-3-2-4-7-14/h2-8,10-13,16,20H,9H2,1H3,(H,27,28)/b8-5+
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n/an/a 580n/an/an/an/an/an/a



Ajinomoto Pharmaceuticals Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-type voltage-dependent calcium channel CaV2.2 in human IMR32 cells assessed as inhibition of KCl-induced increase in intracellular ca...


Bioorg Med Chem Lett 22: 3639-42 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.051
BindingDB Entry DOI: 10.7270/Q2QV3NJX
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM50383765
PNG
(CHEMBL2030603)
Show SMILES COc1c(Cl)cc(cc1Cl)C1C(C=NC=C1C(=O)OC\C=C\c1ccccc1)C(O)=O |c:13,15|
Show InChI InChI=1S/C23H19Cl2NO5/c1-30-21-18(24)10-15(11-19(21)25)20-16(22(27)28)12-26-13-17(20)23(29)31-9-5-8-14-6-3-2-4-7-14/h2-8,10-13,16,20H,9H2,1H3,(H,27,28)/b8-5+
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n/an/a 720n/an/an/an/an/an/a



Ajinomoto Pharmaceuticals Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-type voltage-dependent calcium channel CaV2.2 in human IMR32 cells assessed as inhibition of KCl-induced increase in intracellular ca...


Bioorg Med Chem Lett 22: 3639-42 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.051
BindingDB Entry DOI: 10.7270/Q2QV3NJX
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM50383769
PNG
(CHEMBL2030600)
Show SMILES OC(=O)C1C=NC=C(C1c1ccc(Cl)c(Cl)c1)C(=O)OC\C=C\c1ccccc1 |c:4,6|
Show InChI InChI=1S/C22H17Cl2NO4/c23-18-9-8-15(11-19(18)24)20-16(21(26)27)12-25-13-17(20)22(28)29-10-4-7-14-5-2-1-3-6-14/h1-9,11-13,16,20H,10H2,(H,26,27)/b7-4+
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n/an/a 750n/an/an/an/an/an/a



Ajinomoto Pharmaceuticals Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-type voltage-dependent calcium channel CaV2.2 in human IMR32 cells assessed as inhibition of KCl-induced increase in intracellular ca...


Bioorg Med Chem Lett 22: 3639-42 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.051
BindingDB Entry DOI: 10.7270/Q2QV3NJX
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM50383765
PNG
(CHEMBL2030603)
Show SMILES COc1c(Cl)cc(cc1Cl)C1C(C=NC=C1C(=O)OC\C=C\c1ccccc1)C(O)=O |c:13,15|
Show InChI InChI=1S/C23H19Cl2NO5/c1-30-21-18(24)10-15(11-19(21)25)20-16(22(27)28)12-26-13-17(20)23(29)31-9-5-8-14-6-3-2-4-7-14/h2-8,10-13,16,20H,9H2,1H3,(H,27,28)/b8-5+
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n/an/a 840n/an/an/an/an/an/a



Ajinomoto Pharmaceuticals Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-type voltage-dependent calcium channel CaV2.2 in human IMR32 cells assessed as inhibition of KCl-induced increase in intracellular ca...


Bioorg Med Chem Lett 22: 3639-42 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.051
BindingDB Entry DOI: 10.7270/Q2QV3NJX
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM50383775
PNG
(CHEMBL2030593)
Show SMILES COC(OC)C1=C(C(C(C=N1)C(O)=O)c1cc(Cl)cc(Cl)c1)C(=O)OC\C=C\c1ccccc1 |c:9,t:5|
Show InChI InChI=1S/C25H23Cl2NO6/c1-32-25(33-2)22-21(24(31)34-10-6-9-15-7-4-3-5-8-15)20(19(14-28-22)23(29)30)16-11-17(26)13-18(27)12-16/h3-9,11-14,19-20,25H,10H2,1-2H3,(H,29,30)/b9-6+
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n/an/a 1.00E+3n/an/an/an/an/an/a



Ajinomoto Pharmaceuticals Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-type voltage-dependent calcium channel CaV2.2 in human IMR32 cells assessed as inhibition of KCl-induced increase in intracellular ca...


Bioorg Med Chem Lett 22: 3639-42 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.051
BindingDB Entry DOI: 10.7270/Q2QV3NJX
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM50383766
PNG
(CHEMBL2030597)
Show SMILES COC(OC)C1=C(C(C(C=N1)C(O)=O)c1cccc(c1)C(F)(F)F)C(=O)OC\C=C\c1ccccc1 |c:9,t:5|
Show InChI InChI=1S/C26H24F3NO6/c1-34-25(35-2)22-21(24(33)36-13-7-10-16-8-4-3-5-9-16)20(19(15-30-22)23(31)32)17-11-6-12-18(14-17)26(27,28)29/h3-12,14-15,19-20,25H,13H2,1-2H3,(H,31,32)/b10-7+
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n/an/a 1.10E+3n/an/an/an/an/an/a



Ajinomoto Pharmaceuticals Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-type voltage-dependent calcium channel CaV2.2 in human IMR32 cells assessed as inhibition of KCl-induced increase in intracellular ca...


Bioorg Med Chem Lett 22: 3639-42 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.051
BindingDB Entry DOI: 10.7270/Q2QV3NJX
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM50383774
PNG
(CHEMBL2030592)
Show SMILES COC(OC)C1=C(C(C(C=N1)C(O)=O)c1ccc(Cl)cc1)C(=O)OC\C=C\c1ccccc1 |c:9,t:5|
Show InChI InChI=1S/C25H24ClNO6/c1-31-25(32-2)22-21(24(30)33-14-6-9-16-7-4-3-5-8-16)20(19(15-27-22)23(28)29)17-10-12-18(26)13-11-17/h3-13,15,19-20,25H,14H2,1-2H3,(H,28,29)/b9-6+
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n/an/a 1.10E+3n/an/an/an/an/an/a



Ajinomoto Pharmaceuticals Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-type voltage-dependent calcium channel CaV2.2 in human IMR32 cells assessed as inhibition of KCl-induced increase in intracellular ca...


Bioorg Med Chem Lett 22: 3639-42 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.051
BindingDB Entry DOI: 10.7270/Q2QV3NJX
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM50383773
PNG
(CHEMBL2030591)
Show SMILES COC(OC)C1=C(C(C(C=N1)C(O)=O)c1cccc(Cl)c1)C(=O)OC\C=C\c1ccccc1 |c:9,t:5|
Show InChI InChI=1S/C25H24ClNO6/c1-31-25(32-2)22-21(24(30)33-13-7-10-16-8-4-3-5-9-16)20(19(15-27-22)23(28)29)17-11-6-12-18(26)14-17/h3-12,14-15,19-20,25H,13H2,1-2H3,(H,28,29)/b10-7+
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n/an/a 1.10E+3n/an/an/an/an/an/a



Ajinomoto Pharmaceuticals Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-type voltage-dependent calcium channel CaV2.2 in human IMR32 cells assessed as inhibition of KCl-induced increase in intracellular ca...


Bioorg Med Chem Lett 22: 3639-42 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.051
BindingDB Entry DOI: 10.7270/Q2QV3NJX
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM50383778
PNG
(CHEMBL2030596)
Show SMILES COC(OC)C1=C(C(C(C=N1)C(O)=O)c1cc(Cl)c(OC)c(Cl)c1)C(=O)OC\C=C\c1ccccc1 |c:9,t:5|
Show InChI InChI=1S/C26H25Cl2NO7/c1-33-23-18(27)12-16(13-19(23)28)20-17(24(30)31)14-29-22(26(34-2)35-3)21(20)25(32)36-11-7-10-15-8-5-4-6-9-15/h4-10,12-14,17,20,26H,11H2,1-3H3,(H,30,31)/b10-7+
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n/an/a 1.20E+3n/an/an/an/an/an/a



Ajinomoto Pharmaceuticals Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-type voltage-dependent calcium channel CaV2.2 in human IMR32 cells assessed as inhibition of KCl-induced increase in intracellular ca...


Bioorg Med Chem Lett 22: 3639-42 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.051
BindingDB Entry DOI: 10.7270/Q2QV3NJX
More data for this
Ligand-Target Pair
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