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Compile Data Set for Download or QSAR

Found 299 hits with Last Name = 'ohta' 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
DNA polymerase alpha catalytic subunit


(Homo sapiens (Human))		BDBM50153106
PNG
(CHEMBL189703 | [(3S,10R,13R,17R)-17-((R)-1,5-Dimet...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OCC(O)=O |t:14|
Show InChI InChI=1S/C29H48O3/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(32-18-27(30)31)13-15-28(21,4)26(23)14-16-29(24,25)5/h9,19-20,22-26H,6-8,10-18H2,1-5H3,(H,30,31)/t20-,22+,23?,24-,25?,26?,28+,29-/m1/s1
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 3.75E+3n/an/an/an/an/an/an/an/a



Frontier Research Center for Genome & Drug Discovery

Curated by ChEMBL


Assay Description
Inhibition constant against DNA polymerase alpha non competitively on dNTP substrate

J Med Chem 47: 4971-4 (2004)


Article DOI: 10.1021/jm030553v
BindingDB Entry DOI: 10.7270/Q2RN37BH
More data for this
Ligand-Target Pair
DNA polymerase alpha catalytic subunit


(Homo sapiens (Human))		BDBM50153111
PNG
(CHEMBL189667 | [(3S,5S,10S,13R,17R)-17-((R)-1,5-Di...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2C3CC[C@H]4C[C@H](CC[C@]4(C)C3CC[C@]12C)OCC(O)=O
Show InChI InChI=1S/C29H50O3/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(32-18-27(30)31)13-15-28(21,4)26(23)14-16-29(24,25)5/h19-26H,6-18H2,1-5H3,(H,30,31)/t20-,21+,22+,23?,24-,25?,26?,28+,29-/m1/s1
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 7.84E+3n/an/an/an/an/an/an/an/a



Frontier Research Center for Genome & Drug Discovery

Curated by ChEMBL


Assay Description
Inhibition constant against DNA polymerase alpha non competitively on dNTP substrate

J Med Chem 47: 4971-4 (2004)


Article DOI: 10.1021/jm030553v
BindingDB Entry DOI: 10.7270/Q2RN37BH
More data for this
Ligand-Target Pair
DNA polymerase alpha catalytic subunit


(Homo sapiens (Human))		BDBM50153113
PNG
(CHEMBL364611 | [(3S,10R,13R,17R)-17-((E)-(1R,4S)-4...)
Show SMILES CC[C@H](\C=C\[C@@H](C)[C@H]1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OCC(O)=O)C(C)C |t:13|
Show InChI InChI=1S/C31H50O3/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(34-19-29(32)33)14-16-30(23,5)28(25)15-17-31(26,27)6/h8-10,20-22,24-28H,7,11-19H2,1-6H3,(H,32,33)/b9-8+/t21-,22-,24+,25?,26-,27?,28?,30+,31-/m1/s1
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 1.12E+4n/an/an/an/an/an/an/an/a



Frontier Research Center for Genome & Drug Discovery

Curated by ChEMBL


Assay Description
Inhibition constant against DNA polymerase alpha non competitively on dNTP substrate

J Med Chem 47: 4971-4 (2004)


Article DOI: 10.1021/jm030553v
BindingDB Entry DOI: 10.7270/Q2RN37BH
More data for this
Ligand-Target Pair
DNA polymerase alpha catalytic subunit


(Homo sapiens (Human))		BDBM50153111
PNG
(CHEMBL189667 | [(3S,5S,10S,13R,17R)-17-((R)-1,5-Di...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2C3CC[C@H]4C[C@H](CC[C@]4(C)C3CC[C@]12C)OCC(O)=O
Show InChI InChI=1S/C29H50O3/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(32-18-27(30)31)13-15-28(21,4)26(23)14-16-29(24,25)5/h19-26H,6-18H2,1-5H3,(H,30,31)/t20-,21+,22+,23?,24-,25?,26?,28+,29-/m1/s1
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 1.38E+4n/an/an/an/an/an/an/an/a



Frontier Research Center for Genome & Drug Discovery

Curated by ChEMBL


Assay Description
Inhibition constant against DNA polymerase alpha competitively on DNA template

J Med Chem 47: 4971-4 (2004)


Article DOI: 10.1021/jm030553v
BindingDB Entry DOI: 10.7270/Q2RN37BH
More data for this
Ligand-Target Pair
DNA polymerase alpha catalytic subunit


(Homo sapiens (Human))		BDBM50153106
PNG
(CHEMBL189703 | [(3S,10R,13R,17R)-17-((R)-1,5-Dimet...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OCC(O)=O |t:14|
Show InChI InChI=1S/C29H48O3/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(32-18-27(30)31)13-15-28(21,4)26(23)14-16-29(24,25)5/h9,19-20,22-26H,6-8,10-18H2,1-5H3,(H,30,31)/t20-,22+,23?,24-,25?,26?,28+,29-/m1/s1
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 1.85E+4n/an/an/an/an/an/an/an/a



Frontier Research Center for Genome & Drug Discovery

Curated by ChEMBL


Assay Description
Inhibition constant against DNA polymerase alpha competitively on DNA template

J Med Chem 47: 4971-4 (2004)


Article DOI: 10.1021/jm030553v
BindingDB Entry DOI: 10.7270/Q2RN37BH
More data for this
Ligand-Target Pair
DNA polymerase alpha catalytic subunit


(Homo sapiens (Human))		BDBM50153113
PNG
(CHEMBL364611 | [(3S,10R,13R,17R)-17-((E)-(1R,4S)-4...)
Show SMILES CC[C@H](\C=C\[C@@H](C)[C@H]1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OCC(O)=O)C(C)C |t:13|
Show InChI InChI=1S/C31H50O3/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(34-19-29(32)33)14-16-30(23,5)28(25)15-17-31(26,27)6/h8-10,20-22,24-28H,7,11-19H2,1-6H3,(H,32,33)/b9-8+/t21-,22-,24+,25?,26-,27?,28?,30+,31-/m1/s1
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 2.79E+4n/an/an/an/an/an/an/an/a



Frontier Research Center for Genome & Drug Discovery

Curated by ChEMBL


Assay Description
Inhibition constant against DNA polymerase alpha competitively on DNA template

J Med Chem 47: 4971-4 (2004)


Article DOI: 10.1021/jm030553v
BindingDB Entry DOI: 10.7270/Q2RN37BH
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50074846
PNG
(CHEMBL545597 | [3-(4-Methoxy-3-phenethyloxy-phenyl...)
Show SMILES CCCN(CCC)CCCc1ccc(OC)c(OCCc2ccccc2)c1
Show InChI InChI=1S/C24H35NO2/c1-4-16-25(17-5-2)18-9-12-22-13-14-23(26-3)24(20-22)27-19-15-21-10-7-6-8-11-21/h6-8,10-11,13-14,20H,4-5,9,12,15-19H2,1-3H3
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n/an/a 1n/an/an/an/an/an/a



Taisho Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against radioligand [3H]3-PPP binding to Sigma opioid receptor type 1 in rat brain membrane

J Med Chem 42: 1076-87 (1999)


Article DOI: 10.1021/jm980212v
BindingDB Entry DOI: 10.7270/Q29C6Z4V
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50074867
PNG
((2-{4-Methoxy-3-[2-(4-methoxy-phenyl)-ethoxy]-phen...)
Show SMILES CCCN(CCC)CCc1ccc(OC)c(OCCc2ccc(OC)cc2)c1
Show InChI InChI=1S/C24H35NO3/c1-5-15-25(16-6-2)17-13-21-9-12-23(27-4)24(19-21)28-18-14-20-7-10-22(26-3)11-8-20/h7-12,19H,5-6,13-18H2,1-4H3
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n/an/a 1n/an/an/an/an/an/a



Taisho Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against radioligand [3H]3-PPP binding to Sigma opioid receptor type 1 in rat brain membrane

J Med Chem 42: 1076-87 (1999)


Article DOI: 10.1021/jm980212v
BindingDB Entry DOI: 10.7270/Q29C6Z4V
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50074866
PNG
((2-{3-[2-(4-Fluoro-phenyl)-ethoxy]-4-methoxy-pheny...)
Show SMILES CCCN(CCC)CCc1ccc(OC)c(OCCc2ccc(F)cc2)c1
Show InChI InChI=1S/C23H32FNO2/c1-4-14-25(15-5-2)16-12-20-8-11-22(26-3)23(18-20)27-17-13-19-6-9-21(24)10-7-19/h6-11,18H,4-5,12-17H2,1-3H3
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n/an/a 1n/an/an/an/an/an/a



Taisho Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against radioligand [3H]3-PPP binding to Sigma opioid receptor type 1 in rat brain membrane

J Med Chem 42: 1076-87 (1999)


Article DOI: 10.1021/jm980212v
BindingDB Entry DOI: 10.7270/Q29C6Z4V
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50170660
PNG
(CHEMBL190883 | CHEMBL521582 | N,N-dipropyl-2-[4-me...)
Show SMILES CCCN(CCC)CCc1ccc(OC)c(OCCc2ccccc2)c1
Show InChI InChI=1S/C23H33NO2/c1-4-15-24(16-5-2)17-13-21-11-12-22(25-3)23(19-21)26-18-14-20-9-7-6-8-10-20/h6-12,19H,4-5,13-18H2,1-3H3
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n/an/a 1.30n/an/an/an/an/an/a



Taisho Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against radioligand [3H]3-PPP binding to Sigma opioid receptor type 1 in rat brain membrane

J Med Chem 42: 1076-87 (1999)


Article DOI: 10.1021/jm980212v
BindingDB Entry DOI: 10.7270/Q29C6Z4V
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50170660
PNG
(CHEMBL190883 | CHEMBL521582 | N,N-dipropyl-2-[4-me...)
Show SMILES CCCN(CCC)CCc1ccc(OC)c(OCCc2ccccc2)c1
Show InChI InChI=1S/C23H33NO2/c1-4-15-24(16-5-2)17-13-21-11-12-22(25-3)23(19-21)26-18-14-20-9-7-6-8-10-20/h6-12,19H,4-5,13-18H2,1-3H3
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n/an/a 1.30n/an/an/an/an/an/a



Taisho Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity at Sigma opioid receptors on guinea pig brain membranes by [3H]3-PPP displacement.

J Med Chem 42: 3965-70 (1999)


BindingDB Entry DOI: 10.7270/Q2PR7WQ7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50074859
PNG
((2-{3-[2-(3-Chloro-phenyl)-ethoxy]-4-methoxy-pheny...)
Show SMILES CCCN(CCC)CCc1ccc(OC)c(OCCc2cccc(Cl)c2)c1
Show InChI InChI=1S/C23H32ClNO2/c1-4-13-25(14-5-2)15-11-20-9-10-22(26-3)23(18-20)27-16-12-19-7-6-8-21(24)17-19/h6-10,17-18H,4-5,11-16H2,1-3H3
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n/an/a 1.5n/an/an/an/an/an/a



Taisho Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against radioligand [3H]3-PPP binding to Sigma opioid receptor type 1 in rat brain membrane

J Med Chem 42: 1076-87 (1999)


Article DOI: 10.1021/jm980212v
BindingDB Entry DOI: 10.7270/Q29C6Z4V
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50081380
PNG
(CHEMBL553962 | [1-(4-Methoxy-3-phenethyloxy-benzyl...)
Show SMILES CCCCCC(Cc1ccc(OC)c(OCCc2ccccc2)c1)NCCC
Show InChI InChI=1S/C25H37NO2/c1-4-6-8-13-23(26-17-5-2)19-22-14-15-24(27-3)25(20-22)28-18-16-21-11-9-7-10-12-21/h7,9-12,14-15,20,23,26H,4-6,8,13,16-19H2,1-3H3
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n/an/a 1.5n/an/an/an/an/an/a



Taisho Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity at Sigma opioid receptors on guinea pig brain membranes by [3H]3-PPP displacement.

J Med Chem 42: 3965-70 (1999)


BindingDB Entry DOI: 10.7270/Q2PR7WQ7
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50074828
PNG
(CHEMBL11290 | {2-[3-Methoxy-2-(3-phenyl-propoxy)-p...)
Show SMILES CCCN(CCC)CCc1cccc(OC)c1OCCCc1ccccc1
Show InChI InChI=1S/C24H35NO2/c1-4-17-25(18-5-2)19-16-22-14-9-15-23(26-3)24(22)27-20-10-13-21-11-7-6-8-12-21/h6-9,11-12,14-15H,4-5,10,13,16-20H2,1-3H3
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n/an/a 1.70n/an/an/an/an/an/a



Taisho Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against radioligand [3H]3-PPP binding to Sigma opioid receptor type 1 in rat brain membrane

J Med Chem 42: 1076-87 (1999)


Article DOI: 10.1021/jm980212v
BindingDB Entry DOI: 10.7270/Q29C6Z4V
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50074827
PNG
(CHEMBL542298 | Hexyl-[2-(4-methoxy-3-phenethyloxy-...)
Show SMILES CCCCCCN(CCC)CCc1ccc(OC)c(OCCc2ccccc2)c1
Show InChI InChI=1S/C26H39NO2/c1-4-6-7-11-19-27(18-5-2)20-16-24-14-15-25(28-3)26(22-24)29-21-17-23-12-9-8-10-13-23/h8-10,12-15,22H,4-7,11,16-21H2,1-3H3
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n/an/a 1.80n/an/an/an/an/an/a



Taisho Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against radioligand [3H]3-PPP binding to Sigma opioid receptor type 1 in rat brain membrane

J Med Chem 42: 1076-87 (1999)


Article DOI: 10.1021/jm980212v
BindingDB Entry DOI: 10.7270/Q29C6Z4V
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50081366
PNG
(CHEMBL540331 | [1-(4-Methoxy-3-phenethyloxy-benzyl...)
Show SMILES CCCNC(CCC(C)C)Cc1ccc(OC)c(OCCc2ccccc2)c1
Show InChI InChI=1S/C25H37NO2/c1-5-16-26-23(13-11-20(2)3)18-22-12-14-24(27-4)25(19-22)28-17-15-21-9-7-6-8-10-21/h6-10,12,14,19-20,23,26H,5,11,13,15-18H2,1-4H3
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n/an/a 1.80n/an/an/an/an/an/a



Taisho Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity at Sigma opioid receptors on guinea pig brain membranes by [3H]3-PPP displacement.

J Med Chem 42: 3965-70 (1999)


BindingDB Entry DOI: 10.7270/Q2PR7WQ7
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50081369
PNG
(CHEMBL128860 | CHEMBL541091 | [1-(4-Methoxy-3-phen...)
Show SMILES CCCCC(Cc1ccc(OC)c(OCCc2ccccc2)c1)NCCC
Show InChI InChI=1S/C24H35NO2/c1-4-6-12-22(25-16-5-2)18-21-13-14-23(26-3)24(19-21)27-17-15-20-10-8-7-9-11-20/h7-11,13-14,19,22,25H,4-6,12,15-18H2,1-3H3
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n/an/a 2.10n/an/an/an/an/an/a



Taisho Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity at Sigma opioid receptors on guinea pig brain membranes by [3H]3-PPP displacement.

J Med Chem 42: 3965-70 (1999)


BindingDB Entry DOI: 10.7270/Q2PR7WQ7
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50074839
PNG
(CHEMBL542047 | [2-(3-Methoxy-2-phenethyloxy-phenyl...)
Show SMILES CCCN(CCC)CCc1cccc(OC)c1OCCc1ccccc1
Show InChI InChI=1S/C23H33NO2/c1-4-16-24(17-5-2)18-14-21-12-9-13-22(25-3)23(21)26-19-15-20-10-7-6-8-11-20/h6-13H,4-5,14-19H2,1-3H3
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n/an/a 2.70n/an/an/an/an/an/a



Taisho Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against radioligand [3H]3-PPP binding to Sigma opioid receptor type 1 in rat brain membrane

J Med Chem 42: 1076-87 (1999)


Article DOI: 10.1021/jm980212v
BindingDB Entry DOI: 10.7270/Q29C6Z4V
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50074865
PNG
(CHEMBL542295 | [2-(4-Methoxy-3-phenethyloxy-phenyl...)
Show SMILES CCCN(CCC(C)C)CCc1ccc(OC)c(OCCc2ccccc2)c1
Show InChI InChI=1S/C25H37NO2/c1-5-16-26(17-13-21(2)3)18-14-23-11-12-24(27-4)25(20-23)28-19-15-22-9-7-6-8-10-22/h6-12,20-21H,5,13-19H2,1-4H3
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n/an/a 2.90n/an/an/an/an/an/a



Taisho Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against radioligand [3H]3-PPP binding to Sigma opioid receptor type 1 in rat brain membrane

J Med Chem 42: 1076-87 (1999)


Article DOI: 10.1021/jm980212v
BindingDB Entry DOI: 10.7270/Q29C6Z4V
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50074869
PNG
(4-(2-Dipropylamino-ethyl)-2-phenethyloxy-phenol; h...)
Show SMILES CCCN(CCC)CCc1ccc(O)c(OCCc2ccccc2)c1
Show InChI InChI=1S/C22H31NO2/c1-3-14-23(15-4-2)16-12-20-10-11-21(24)22(18-20)25-17-13-19-8-6-5-7-9-19/h5-11,18,24H,3-4,12-17H2,1-2H3
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n/an/a 3.10n/an/an/an/an/an/a



Taisho Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against radioligand [3H]3-PPP binding to Sigma opioid receptor type 1 in rat brain membrane

J Med Chem 42: 1076-87 (1999)


Article DOI: 10.1021/jm980212v
BindingDB Entry DOI: 10.7270/Q29C6Z4V
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant ERbeta receptor by liquid scintillation counter

Bioorg Med Chem Lett 18: 5050-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.004
BindingDB Entry DOI: 10.7270/Q2KK9BKX
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Estrogen receptor


(Homo sapiens (Human))		BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant ERalpha receptor by liquid scintillation counter

Bioorg Med Chem Lett 18: 5050-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.004
BindingDB Entry DOI: 10.7270/Q2KK9BKX
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50081371
PNG
(CHEMBL128799 | [1-(4-Methoxy-3-phenethyloxy-benzyl...)
Show SMILES CCCNC(CCC)Cc1ccc(OC)c(OCCc2ccccc2)c1
Show InChI InChI=1S/C23H33NO2/c1-4-9-21(24-15-5-2)17-20-12-13-22(25-3)23(18-20)26-16-14-19-10-7-6-8-11-19/h6-8,10-13,18,21,24H,4-5,9,14-17H2,1-3H3
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n/an/a 4.5n/an/an/an/an/an/a



Taisho Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity at Sigma opioid receptors on guinea pig brain membranes by [3H]3-PPP displacement.

J Med Chem 42: 3965-70 (1999)


BindingDB Entry DOI: 10.7270/Q2PR7WQ7
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50074853
PNG
(CHEMBL11182 | {2-[4-Methoxy-3-(3-phenyl-propoxy)-p...)
Show SMILES CCCN(CCC)CCc1ccc(OC)c(OCCCc2ccccc2)c1
Show InChI InChI=1S/C24H35NO2/c1-4-16-25(17-5-2)18-15-22-13-14-23(26-3)24(20-22)27-19-9-12-21-10-7-6-8-11-21/h6-8,10-11,13-14,20H,4-5,9,12,15-19H2,1-3H3
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n/an/a 4.70n/an/an/an/an/an/a



Taisho Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against radioligand [3H]3-PPP binding to Sigma opioid receptor type 1 in rat brain membrane

J Med Chem 42: 1076-87 (1999)


Article DOI: 10.1021/jm980212v
BindingDB Entry DOI: 10.7270/Q29C6Z4V
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50001955
PNG
((-)6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]qu...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r|
Show InChI InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1
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n/an/a 5.10n/an/an/an/an/an/a



Taisho Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against radioligand [3H](-)-sulpiride binding to Dopamine receptor D2 in rat

J Med Chem 42: 1076-87 (1999)


Article DOI: 10.1021/jm980212v
BindingDB Entry DOI: 10.7270/Q29C6Z4V
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50081375
PNG
(CHEMBL128717 | [1-(4-Methoxy-3-phenethyloxy-benzyl...)
Show SMILES CCCN(CCC)C(CC)Cc1ccc(OC)c(OCCc2ccccc2)c1
Show InChI InChI=1S/C25H37NO2/c1-5-16-26(17-6-2)23(7-3)19-22-13-14-24(27-4)25(20-22)28-18-15-21-11-9-8-10-12-21/h8-14,20,23H,5-7,15-19H2,1-4H3
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n/an/a 5.70n/an/an/an/an/an/a



Taisho Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity at Sigma opioid receptors on guinea pig brain membranes by [3H]3-PPP displacement.

J Med Chem 42: 3965-70 (1999)


BindingDB Entry DOI: 10.7270/Q2PR7WQ7
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50074826
PNG
(CHEMBL11774 | [2-(4-Methoxy-2-phenethyloxy-phenyl)...)
Show SMILES CCCN(CCC)CCc1ccc(OC)cc1OCCc1ccccc1
Show InChI InChI=1S/C23H33NO2/c1-4-15-24(16-5-2)17-13-21-11-12-22(25-3)19-23(21)26-18-14-20-9-7-6-8-10-20/h6-12,19H,4-5,13-18H2,1-3H3
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n/an/a 6.60n/an/an/an/an/an/a



Taisho Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against radioligand [3H]3-PPP binding to Sigma opioid receptor type 1 in rat brain membrane

J Med Chem 42: 1076-87 (1999)


Article DOI: 10.1021/jm980212v
BindingDB Entry DOI: 10.7270/Q29C6Z4V
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50074840
PNG
(CHEMBL11474 | [2-(2-Methoxy-4-phenethyloxy-phenyl)...)
Show SMILES CCCN(CCC)CCc1ccc(OCCc2ccccc2)cc1OC
Show InChI InChI=1S/C23H33NO2/c1-4-15-24(16-5-2)17-13-21-11-12-22(19-23(21)25-3)26-18-14-20-9-7-6-8-10-20/h6-12,19H,4-5,13-18H2,1-3H3
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n/an/a 6.80n/an/an/an/an/an/a



Taisho Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against radioligand [3H]3-PPP binding to Sigma opioid receptor type 1 in rat brain membrane

J Med Chem 42: 1076-87 (1999)


Article DOI: 10.1021/jm980212v
BindingDB Entry DOI: 10.7270/Q29C6Z4V
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50074856
PNG
(CHEMBL537251 | [2-(5-Methoxy-2-phenethyloxy-phenyl...)
Show SMILES CCCN(CCC)CCc1cc(OC)ccc1OCCc1ccccc1
Show InChI InChI=1S/C23H33NO2/c1-4-15-24(16-5-2)17-13-21-19-22(25-3)11-12-23(21)26-18-14-20-9-7-6-8-10-20/h6-12,19H,4-5,13-18H2,1-3H3
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n/an/a 7.10n/an/an/an/an/an/a



Taisho Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against radioligand [3H]3-PPP binding to Sigma opioid receptor type 1 in rat brain membrane

J Med Chem 42: 1076-87 (1999)


Article DOI: 10.1021/jm980212v
BindingDB Entry DOI: 10.7270/Q29C6Z4V
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50074850
PNG
(CHEMBL11803 | [2-(5-Chloro-2-phenethyloxy-phenyl)-...)
Show SMILES CCCN(CCC)CCc1cc(Cl)ccc1OCCc1ccccc1
Show InChI InChI=1S/C22H30ClNO/c1-3-14-24(15-4-2)16-12-20-18-21(23)10-11-22(20)25-17-13-19-8-6-5-7-9-19/h5-11,18H,3-4,12-17H2,1-2H3
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n/an/a 7.20n/an/an/an/an/an/a



Taisho Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against radioligand [3H]3-PPP binding to Sigma opioid receptor type 1 in rat brain membrane

J Med Chem 42: 1076-87 (1999)


Article DOI: 10.1021/jm980212v
BindingDB Entry DOI: 10.7270/Q29C6Z4V
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50081372
PNG
(CHEMBL127899 | [1-(4-Methoxy-3-phenethyloxy-benzyl...)
Show SMILES CCCNC(CC)Cc1ccc(OC)c(OCCc2ccccc2)c1
Show InChI InChI=1S/C22H31NO2/c1-4-14-23-20(5-2)16-19-11-12-21(24-3)22(17-19)25-15-13-18-9-7-6-8-10-18/h6-12,17,20,23H,4-5,13-16H2,1-3H3
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n/an/a 8n/an/an/an/an/an/a



Taisho Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity at Sigma opioid receptors on guinea pig brain membranes by [3H]3-PPP displacement.

J Med Chem 42: 3965-70 (1999)


BindingDB Entry DOI: 10.7270/Q2PR7WQ7
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50081367
PNG
(CHEMBL339638 | [1-(4-Methoxy-3-phenethyloxy-benzyl...)
Show SMILES CCCCCCC(Cc1ccc(OC)c(OCCc2ccccc2)c1)NCCC
Show InChI InChI=1S/C26H39NO2/c1-4-6-7-11-14-24(27-18-5-2)20-23-15-16-25(28-3)26(21-23)29-19-17-22-12-9-8-10-13-22/h8-10,12-13,15-16,21,24,27H,4-7,11,14,17-20H2,1-3H3
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n/an/a 9n/an/an/an/an/an/a



Taisho Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity at Sigma opioid receptors on guinea pig brain membranes by [3H]3-PPP displacement.

J Med Chem 42: 3965-70 (1999)


BindingDB Entry DOI: 10.7270/Q2PR7WQ7
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50074873
PNG
(CHEMBL542049 | {2-[4-Methoxy-3-(2-thiophen-2-yl-et...)
Show SMILES CCCN(CCC)CCc1ccc(OC)c(OCCc2cccs2)c1
Show InChI InChI=1S/C21H31NO2S/c1-4-12-22(13-5-2)14-10-18-8-9-20(23-3)21(17-18)24-15-11-19-7-6-16-25-19/h6-9,16-17H,4-5,10-15H2,1-3H3
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n/an/a 9.40n/an/an/an/an/an/a



Taisho Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against radioligand [3H]3-PPP binding to Sigma opioid receptor type 1 in rat brain membrane

J Med Chem 42: 1076-87 (1999)


Article DOI: 10.1021/jm980212v
BindingDB Entry DOI: 10.7270/Q29C6Z4V
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50081376
PNG
(CHEMBL341003 | [1-(4-Methoxy-3-phenethyloxy-benzyl...)
Show SMILES CCCC(Cc1ccc(OC)c(OCCc2ccccc2)c1)N(CCC)CCC
Show InChI InChI=1S/C26H39NO2/c1-5-11-24(27(17-6-2)18-7-3)20-23-14-15-25(28-4)26(21-23)29-19-16-22-12-9-8-10-13-22/h8-10,12-15,21,24H,5-7,11,16-20H2,1-4H3
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n/an/a 9.5n/an/an/an/an/an/a



Taisho Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity at Sigma opioid receptors on guinea pig brain membranes by [3H]3-PPP displacement.

J Med Chem 42: 3965-70 (1999)


BindingDB Entry DOI: 10.7270/Q2PR7WQ7
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50081383
PNG
(CHEMBL545760 | [2-(4-Methoxy-3-phenethyloxy-phenyl...)
Show SMILES CCCNC(C)Cc1ccc(OC)c(OCCc2ccccc2)c1
Show InChI InChI=1S/C21H29NO2/c1-4-13-22-17(2)15-19-10-11-20(23-3)21(16-19)24-14-12-18-8-6-5-7-9-18/h5-11,16-17,22H,4,12-15H2,1-3H3
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n/an/a 10n/an/an/an/an/an/a



Taisho Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity at Sigma opioid receptors on guinea pig brain membranes by [3H]3-PPP displacement.

J Med Chem 42: 3965-70 (1999)


BindingDB Entry DOI: 10.7270/Q2PR7WQ7
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50074844
PNG
(CHEMBL11279 | [2-(5-Bromo-2-phenethyloxy-phenyl)-e...)
Show SMILES CCCN(CCC)CCc1cc(Br)ccc1OCCc1ccccc1
Show InChI InChI=1S/C22H30BrNO/c1-3-14-24(15-4-2)16-12-20-18-21(23)10-11-22(20)25-17-13-19-8-6-5-7-9-19/h5-11,18H,3-4,12-17H2,1-2H3
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n/an/a 11n/an/an/an/an/an/a



Taisho Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against radioligand [3H]3-PPP binding to Sigma opioid receptor type 1 in rat brain membrane

J Med Chem 42: 1076-87 (1999)


Article DOI: 10.1021/jm980212v
BindingDB Entry DOI: 10.7270/Q29C6Z4V
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50074872
PNG
(1-[2-(4-Methoxy-3-phenethyloxy-phenyl)-ethyl]-4-(2...)
Show SMILES COc1ccc(CCN2CCN(CC2)c2ccccc2OC)cc1OCCc1ccccc1
Show InChI InChI=1S/C28H34N2O3/c1-31-26-11-7-6-10-25(26)30-19-17-29(18-20-30)16-14-24-12-13-27(32-2)28(22-24)33-21-15-23-8-4-3-5-9-23/h3-13,22H,14-21H2,1-2H3
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n/an/a 11n/an/an/an/an/an/a



Taisho Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against radioligand [3H](-)-sulpiride binding to Dopamine receptor D2 in rat

J Med Chem 42: 1076-87 (1999)


Article DOI: 10.1021/jm980212v
BindingDB Entry DOI: 10.7270/Q29C6Z4V
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50074880
PNG
(CHEMBL269638 | [3-(5-Bromo-2-phenethyloxy-phenyl)-...)
Show SMILES CCCN(CCC)CCCc1cc(Br)ccc1OCCc1ccccc1
Show InChI InChI=1S/C23H32BrNO/c1-3-15-25(16-4-2)17-8-11-21-19-22(24)12-13-23(21)26-18-14-20-9-6-5-7-10-20/h5-7,9-10,12-13,19H,3-4,8,11,14-18H2,1-2H3
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n/an/a 11n/an/an/an/an/an/a



Taisho Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against radioligand [3H]3-PPP binding to Sigma opioid receptor type 1 in rat brain membrane

J Med Chem 42: 1076-87 (1999)


Article DOI: 10.1021/jm980212v
BindingDB Entry DOI: 10.7270/Q29C6Z4V
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50081393
PNG
(CHEMBL127720 | [2-(4-Methoxy-3-phenethyloxy-phenyl...)
Show SMILES CCCN(CCC)C(C)Cc1ccc(OC)c(OCCc2ccccc2)c1
Show InChI InChI=1S/C24H35NO2/c1-5-15-25(16-6-2)20(3)18-22-12-13-23(26-4)24(19-22)27-17-14-21-10-8-7-9-11-21/h7-13,19-20H,5-6,14-18H2,1-4H3
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n/an/a 12n/an/an/an/an/an/a



Taisho Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity at Sigma opioid receptors on guinea pig brain membranes by [3H]3-PPP displacement.

J Med Chem 42: 3965-70 (1999)


BindingDB Entry DOI: 10.7270/Q2PR7WQ7
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50074830
PNG
(CHEMBL11894 | [2-(3-Methoxy-4-phenethyloxy-phenyl)...)
Show SMILES CCCN(CCC)CCc1ccc(OCCc2ccccc2)c(OC)c1
Show InChI InChI=1S/C23H33NO2/c1-4-15-24(16-5-2)17-13-21-11-12-22(23(19-21)25-3)26-18-14-20-9-7-6-8-10-20/h6-12,19H,4-5,13-18H2,1-3H3
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n/an/a 12n/an/an/an/an/an/a



Taisho Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against radioligand [3H]3-PPP binding to Sigma opioid receptor type 1 in rat brain membrane

J Med Chem 42: 1076-87 (1999)


Article DOI: 10.1021/jm980212v
BindingDB Entry DOI: 10.7270/Q29C6Z4V
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50074831
PNG
(CHEMBL543015 | [2-(5-Fluoro-2-phenethyloxy-phenyl)...)
Show SMILES CCCN(CCC)CCc1cc(F)ccc1OCCc1ccccc1
Show InChI InChI=1S/C22H30FNO/c1-3-14-24(15-4-2)16-12-20-18-21(23)10-11-22(20)25-17-13-19-8-6-5-7-9-19/h5-11,18H,3-4,12-17H2,1-2H3
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n/an/a 13n/an/an/an/an/an/a



Taisho Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against radioligand [3H]3-PPP binding to Sigma opioid receptor type 1 in rat brain membrane

J Med Chem 42: 1076-87 (1999)


Article DOI: 10.1021/jm980212v
BindingDB Entry DOI: 10.7270/Q29C6Z4V
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50074879
PNG
(CHEMBL275948 | [3-(3-Methoxy-2-phenethyloxy-phenyl...)
Show SMILES CCCN(CCC)CCCc1cccc(OC)c1OCCc1ccccc1
Show InChI InChI=1S/C24H35NO2/c1-4-17-25(18-5-2)19-10-14-22-13-9-15-23(26-3)24(22)27-20-16-21-11-7-6-8-12-21/h6-9,11-13,15H,4-5,10,14,16-20H2,1-3H3
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n/an/a 13n/an/an/an/an/an/a



Taisho Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against radioligand [3H]3-PPP binding to Sigma opioid receptor type 1 in rat brain membrane

J Med Chem 42: 1076-87 (1999)


Article DOI: 10.1021/jm980212v
BindingDB Entry DOI: 10.7270/Q29C6Z4V
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50081373
PNG
(CHEMBL421446 | [1-(4-Methoxy-3-phenethyloxy-benzyl...)
Show SMILES CCCCCCCC(Cc1ccc(OC)c(OCCc2ccccc2)c1)NCCC
Show InChI InChI=1S/C27H41NO2/c1-4-6-7-8-12-15-25(28-19-5-2)21-24-16-17-26(29-3)27(22-24)30-20-18-23-13-10-9-11-14-23/h9-11,13-14,16-17,22,25,28H,4-8,12,15,18-21H2,1-3H3
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n/an/a 13n/an/an/an/an/an/a



Taisho Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity at Sigma opioid receptors on guinea pig brain membranes by [3H]3-PPP displacement.

J Med Chem 42: 3965-70 (1999)


BindingDB Entry DOI: 10.7270/Q2PR7WQ7
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50074838
PNG
(CHEMBL276007 | [2-(2-Phenethyloxy-phenyl)-ethyl]-d...)
Show SMILES CCCN(CCC)CCc1ccccc1OCCc1ccccc1
Show InChI InChI=1S/C22H31NO/c1-3-16-23(17-4-2)18-14-21-12-8-9-13-22(21)24-19-15-20-10-6-5-7-11-20/h5-13H,3-4,14-19H2,1-2H3
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n/an/a 15n/an/an/an/an/an/a



Taisho Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against radioligand [3H]3-PPP binding to Sigma opioid receptor type 1 in rat brain membrane

J Med Chem 42: 1076-87 (1999)


Article DOI: 10.1021/jm980212v
BindingDB Entry DOI: 10.7270/Q29C6Z4V
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50074871
PNG
(1-[3-(5-Chloro-2-phenethyloxy-phenyl)-propyl]-4-(2...)
Show SMILES COc1ccccc1N1CCN(CCCc2cc(Cl)ccc2OCCc2ccccc2)CC1
Show InChI InChI=1S/C28H33ClN2O2/c1-32-28-12-6-5-11-26(28)31-19-17-30(18-20-31)16-7-10-24-22-25(29)13-14-27(24)33-21-15-23-8-3-2-4-9-23/h2-6,8-9,11-14,22H,7,10,15-21H2,1H3
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n/an/a 16n/an/an/an/an/an/a



Taisho Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against radioligand [3H](-)-sulpiride binding to Dopamine receptor D2 in rat

J Med Chem 42: 1076-87 (1999)


Article DOI: 10.1021/jm980212v
BindingDB Entry DOI: 10.7270/Q29C6Z4V
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50074851
PNG
(CHEMBL542048 | [2-(4-Chloro-2-phenethyloxy-phenyl)...)
Show SMILES CCCN(CCC)CCc1ccc(Cl)cc1OCCc1ccccc1
Show InChI InChI=1S/C22H30ClNO/c1-3-14-24(15-4-2)16-12-20-10-11-21(23)18-22(20)25-17-13-19-8-6-5-7-9-19/h5-11,18H,3-4,12-17H2,1-2H3
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n/an/a 18n/an/an/an/an/an/a



Taisho Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against radioligand [3H]3-PPP binding to Sigma opioid receptor type 1 in rat brain membrane

J Med Chem 42: 1076-87 (1999)


Article DOI: 10.1021/jm980212v
BindingDB Entry DOI: 10.7270/Q29C6Z4V
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50074854
PNG
(3-{[2-(4-Methoxy-3-phenethyloxy-phenyl)-ethyl]-pro...)
Show SMILES CCCN(CCCO)CCc1ccc(OC)c(OCCc2ccccc2)c1
Show InChI InChI=1S/C23H33NO3/c1-3-14-24(15-7-17-25)16-12-21-10-11-22(26-2)23(19-21)27-18-13-20-8-5-4-6-9-20/h4-6,8-11,19,25H,3,7,12-18H2,1-2H3
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n/an/a 19n/an/an/an/an/an/a



Taisho Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against radioligand [3H]3-PPP binding to Sigma opioid receptor type 1 in rat brain membrane

J Med Chem 42: 1076-87 (1999)


Article DOI: 10.1021/jm980212v
BindingDB Entry DOI: 10.7270/Q29C6Z4V
More data for this
Ligand-Target Pair
Integrin alpha-4


(Homo sapiens (Human))		BDBM50231424
PNG
((S)-3-(4-(4-(2,6-dicyanophenyl)piperazin-1-yl)phen...)
Show SMILES OC(=O)[C@H](Cc1ccc(cc1)N1CCN(CC1)c1c(cccc1C#N)C#N)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C32H32N6O5S/c33-21-24-6-4-7-25(22-34)30(24)37-18-16-36(17-19-37)26-13-11-23(12-14-26)20-28(32(40)41)35-31(39)29-10-5-15-38(29)44(42,43)27-8-2-1-3-9-27/h1-4,6-9,11-14,28-29H,5,10,15-20H2,(H,35,39)(H,40,41)/t28-,29-/m0/s1
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n/an/a 19n/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of VCAM1 from human VLA4 in Jurkat cells by ELISA

Bioorg Med Chem Lett 18: 1053-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.014
BindingDB Entry DOI: 10.7270/Q29S1QR8
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50074842
PNG
(CHEMBL11535 | [2-(3-Fluoro-2-phenethyloxy-phenyl)-...)
Show SMILES CCCN(CCC)CCc1cccc(F)c1OCCc1ccccc1
Show InChI InChI=1S/C22H30FNO/c1-3-15-24(16-4-2)17-13-20-11-8-12-21(23)22(20)25-18-14-19-9-6-5-7-10-19/h5-12H,3-4,13-18H2,1-2H3
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n/an/a 22n/an/an/an/an/an/a



Taisho Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against radioligand [3H]3-PPP binding to Sigma opioid receptor type 1 in rat brain membrane

J Med Chem 42: 1076-87 (1999)


Article DOI: 10.1021/jm980212v
BindingDB Entry DOI: 10.7270/Q29C6Z4V
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50074835
PNG
(5-(2-Dipropylamino-ethyl)-2-phenethyloxy-phenol; h...)
Show SMILES CCCN(CCC)CCc1ccc(OCCc2ccccc2)c(O)c1
Show InChI InChI=1S/C22H31NO2/c1-3-14-23(15-4-2)16-12-20-10-11-22(21(24)18-20)25-17-13-19-8-6-5-7-9-19/h5-11,18,24H,3-4,12-17H2,1-2H3
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n/an/a 25n/an/an/an/an/an/a



Taisho Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against radioligand [3H]3-PPP binding to Sigma opioid receptor type 1 in rat brain membrane

J Med Chem 42: 1076-87 (1999)


Article DOI: 10.1021/jm980212v
BindingDB Entry DOI: 10.7270/Q29C6Z4V
More data for this
Ligand-Target Pair
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