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PubMed code 12781174

Compile data set for download or QSAR
Found 18 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Sphingomyelin phosphodiesterase 2


(Rattus norvegicus)		BDBM50100341
PNG
((2E,4E,6E,12E)-(8R,10S,14R)-8,10,12,14-Tetramethyl...)
Show SMILES CC[C@@H](C)\C=C(/C)C[C@@H](C)C[C@@H](C)\C=C\C=C\C=C\C(=O)N[C@H](CO)C[C@]1(O)[C@H]2O[C@H]2C=CC1=O |c:32|
Show InChI InChI=1S/C29H43NO5/c1-6-20(2)15-22(4)17-23(5)16-21(3)11-9-7-8-10-12-27(33)30-24(19-31)18-29(34)26(32)14-13-25-28(29)35-25/h7-15,20-21,23-25,28,31,34H,6,16-19H2,1-5H3,(H,30,33)/b8-7+,11-9+,12-10+,22-15+/t20-,21+,23+,24+,25+,28+,29-/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against the membrane neutral magnesium-dependent Sphingomyelinase (N-SMase) using rat brain microsomes as the enzyme source

Bioorg Med Chem Lett 13: 1963-6 (2003)


BindingDB Entry DOI: 10.7270/Q2KD1ZFT
More data for this
Ligand-Target Pair
Sphingomyelin phosphodiesterase 2


(Rattus norvegicus)		BDBM50128902
PNG
(CHEMBL59342 | Pyridin-4-ylmethyl-carbamic acid (E)...)
Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COC(=O)NCc1ccncc1)NC(=O)C(C)C
Show InChI InChI=1S/C29H49N3O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(33)26(32-28(34)24(2)3)23-36-29(35)31-22-25-18-20-30-21-19-25/h16-21,24,26-27,33H,4-15,22-23H2,1-3H3,(H,31,35)(H,32,34)/b17-16+/t26-,27+/m0/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against the membrane neutral magnesium-dependent Sphingomyelinase (N-SMase) using rat brain microsomes as the enzyme source

Bioorg Med Chem Lett 13: 1963-6 (2003)


BindingDB Entry DOI: 10.7270/Q2KD1ZFT
More data for this
Ligand-Target Pair
Sphingomyelin phosphodiesterase 2


(Rattus norvegicus)		BDBM50128892
PNG
(CHEMBL62020 | Pyridin-3-ylmethyl-carbamic acid (E)...)
Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COC(=O)NCc1cccnc1)NC(=O)C(C)(C)C
Show InChI InChI=1S/C30H51N3O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-27(34)26(33-28(35)30(2,3)4)24-37-29(36)32-23-25-19-18-21-31-22-25/h17-22,26-27,34H,5-16,23-24H2,1-4H3,(H,32,36)(H,33,35)/b20-17+/t26-,27+/m0/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against the membrane neutral magnesium-dependent Sphingomyelinase (N-SMase) using rat brain microsomes as the enzyme source

Bioorg Med Chem Lett 13: 1963-6 (2003)


BindingDB Entry DOI: 10.7270/Q2KD1ZFT
More data for this
Ligand-Target Pair
Sphingomyelin phosphodiesterase 2


(Rattus norvegicus)		BDBM50128891
PNG
(CHEMBL261976 | Pyridin-4-ylmethyl-carbamic acid (E...)
Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COC(=O)NCc1ccncc1)NC(=O)C(C)(C)C
Show InChI InChI=1S/C30H51N3O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27(34)26(33-28(35)30(2,3)4)24-37-29(36)32-23-25-19-21-31-22-20-25/h17-22,26-27,34H,5-16,23-24H2,1-4H3,(H,32,36)(H,33,35)/b18-17+/t26-,27+/m0/s1
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n/an/a 2.80E+3n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against the membrane neutral magnesium-dependent Sphingomyelinase (N-SMase) using rat brain microsomes as the enzyme source

Bioorg Med Chem Lett 13: 1963-6 (2003)


BindingDB Entry DOI: 10.7270/Q2KD1ZFT
More data for this
Ligand-Target Pair
Sphingomyelin phosphodiesterase 2


(Rattus norvegicus)		BDBM50128908
PNG
((2-Dimethylamino-ethyl)-carbamic acid (E)-(2S,3R)-...)
Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COC(=O)NCCN(C)C)NC(=O)C(C)(C)C
Show InChI InChI=1S/C28H55N3O4/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(32)24(30-26(33)28(2,3)4)23-35-27(34)29-21-22-31(5)6/h19-20,24-25,32H,7-18,21-23H2,1-6H3,(H,29,34)(H,30,33)/b20-19+/t24-,25+/m0/s1
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n/an/a 4.10E+3n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against the membrane neutral magnesium-dependent Sphingomyelinase (N-SMase) using rat brain microsomes as the enzyme source

Bioorg Med Chem Lett 13: 1963-6 (2003)


BindingDB Entry DOI: 10.7270/Q2KD1ZFT
More data for this
Ligand-Target Pair
Sphingomyelin phosphodiesterase 2


(Rattus norvegicus)		BDBM50128903
PNG
((3-Dimethylamino-propyl)-carbamic acid (E)-(2S,3R)...)
Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COC(=O)NCCCN(C)C)NC(=O)C(C)(C)C
Show InChI InChI=1S/C29H57N3O4/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-21-26(33)25(31-27(34)29(2,3)4)24-36-28(35)30-22-20-23-32(5)6/h19,21,25-26,33H,7-18,20,22-24H2,1-6H3,(H,30,35)(H,31,34)/b21-19+/t25-,26+/m0/s1
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n/an/a 4.90E+3n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against the membrane neutral magnesium-dependent Sphingomyelinase (N-SMase) using rat brain microsomes as the enzyme source

Bioorg Med Chem Lett 13: 1963-6 (2003)


BindingDB Entry DOI: 10.7270/Q2KD1ZFT
More data for this
Ligand-Target Pair
Sphingomyelin phosphodiesterase 2


(Rattus norvegicus)		BDBM50128898
PNG
(CHEMBL59845 | Pyridin-2-ylmethyl-carbamic acid (E)...)
Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COC(=O)NCc1ccccn1)NC(=O)C(C)(C)C
Show InChI InChI=1S/C30H51N3O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21-27(34)26(33-28(35)30(2,3)4)24-37-29(36)32-23-25-20-18-19-22-31-25/h17-22,26-27,34H,5-16,23-24H2,1-4H3,(H,32,36)(H,33,35)/b21-17+/t26-,27+/m0/s1
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Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against the membrane neutral magnesium-dependent Sphingomyelinase (N-SMase) using rat brain microsomes as the enzyme source

Bioorg Med Chem Lett 13: 1963-6 (2003)


BindingDB Entry DOI: 10.7270/Q2KD1ZFT
More data for this
Ligand-Target Pair
Sphingomyelin phosphodiesterase 2


(Rattus norvegicus)		BDBM50128906
PNG
(CHEMBL59120 | Pyridin-2-yl-carbamic acid (E)-(2S,3...)
Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COC(=O)Nc1ccccn1)NC(=O)C(C)(C)C
Show InChI InChI=1S/C29H49N3O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-25(33)24(31-27(34)29(2,3)4)23-36-28(35)32-26-21-18-19-22-30-26/h17-22,24-25,33H,5-16,23H2,1-4H3,(H,31,34)(H,30,32,35)/b20-17+/t24-,25+/m0/s1
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Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against the membrane neutral magnesium-dependent Sphingomyelinase (N-SMase) using rat brain microsomes as the enzyme source

Bioorg Med Chem Lett 13: 1963-6 (2003)


BindingDB Entry DOI: 10.7270/Q2KD1ZFT
More data for this
Ligand-Target Pair
Sphingomyelin phosphodiesterase 2


(Rattus norvegicus)		BDBM50128905
PNG
((4-Dimethylamino-benzyl)-carbamic acid (E)-(2S,3R)...)
Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COC(=O)NCc1ccc(cc1)N(C)C)NC(=O)C(C)(C)C
Show InChI InChI=1S/C33H57N3O4/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-30(37)29(35-31(38)33(2,3)4)26-40-32(39)34-25-27-21-23-28(24-22-27)36(5)6/h19-24,29-30,37H,7-18,25-26H2,1-6H3,(H,34,39)(H,35,38)/b20-19+/t29-,30+/m0/s1
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n/an/a 8.20E+3n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against the membrane neutral magnesium-dependent Sphingomyelinase (N-SMase) using rat brain microsomes as the enzyme source

Bioorg Med Chem Lett 13: 1963-6 (2003)


BindingDB Entry DOI: 10.7270/Q2KD1ZFT
More data for this
Ligand-Target Pair
Sphingomyelin phosphodiesterase 2


(Rattus norvegicus)		BDBM50128900
PNG
((2-Pyridin-2-yl-ethyl)-carbamic acid (E)-(2S,3R)-2...)
Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COC(=O)NCCc1ccccn1)NC(=O)C(C)(C)C
Show InChI InChI=1S/C31H53N3O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21-28(35)27(34-29(36)31(2,3)4)25-38-30(37)33-24-22-26-20-18-19-23-32-26/h17-21,23,27-28,35H,5-16,22,24-25H2,1-4H3,(H,33,37)(H,34,36)/b21-17+/t27-,28+/m0/s1
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Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against the membrane neutral magnesium-dependent Sphingomyelinase (N-SMase) using rat brain microsomes as the enzyme source

Bioorg Med Chem Lett 13: 1963-6 (2003)


BindingDB Entry DOI: 10.7270/Q2KD1ZFT
More data for this
Ligand-Target Pair
Sphingomyelin phosphodiesterase 2


(Rattus norvegicus)		BDBM50128896
PNG
(CHEMBL416323 | {2-[(E)-(2S,3R)-2-(2,2-Dimethyl-pro...)
Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COC(=O)NCC[N+](C)(C)C)NC(=O)C(C)(C)C
Show InChI InChI=1S/C29H57N3O4/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26(33)25(31-27(34)29(2,3)4)24-36-28(35)30-22-23-32(5,6)7/h20-21,25-26,33H,8-19,22-24H2,1-7H3,(H-,30,31,34,35)/p+1/b21-20+/t25-,26+/m0/s1
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Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against the membrane neutral magnesium-dependent Sphingomyelinase (N-SMase) using rat brain microsomes as the enzyme source

Bioorg Med Chem Lett 13: 1963-6 (2003)


BindingDB Entry DOI: 10.7270/Q2KD1ZFT
More data for this
Ligand-Target Pair
Sphingomyelin phosphodiesterase 2


(Rattus norvegicus)		BDBM50128904
PNG
((2-Diisopropylamino-ethyl)-carbamic acid (E)-(2S,3...)
Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COC(=O)NCCN(C(C)C)C(C)C)NC(=O)C(C)(C)C
Show InChI InChI=1S/C32H63N3O4/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-29(36)28(34-30(37)32(6,7)8)25-39-31(38)33-23-24-35(26(2)3)27(4)5/h21-22,26-29,36H,9-20,23-25H2,1-8H3,(H,33,38)(H,34,37)/b22-21+/t28-,29+/m0/s1
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n/an/a 1.80E+4n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against the membrane neutral magnesium-dependent Sphingomyelinase (N-SMase) using rat brain microsomes as the enzyme source

Bioorg Med Chem Lett 13: 1963-6 (2003)


BindingDB Entry DOI: 10.7270/Q2KD1ZFT
More data for this
Ligand-Target Pair
Sphingomyelin phosphodiesterase 2


(Rattus norvegicus)		BDBM50128895
PNG
(4-Dimethylamino-butyric acid (E)-(2S,3R)-2-(2,2-di...)
Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COC(=O)CCCN(C)C)NC(=O)C(C)(C)C
Show InChI InChI=1S/C29H56N2O4/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-21-26(32)25(30-28(34)29(2,3)4)24-35-27(33)22-20-23-31(5)6/h19,21,25-26,32H,7-18,20,22-24H2,1-6H3,(H,30,34)/b21-19+/t25-,26+/m0/s1
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Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against the membrane neutral magnesium-dependent Sphingomyelinase (N-SMase) using rat brain microsomes as the enzyme source

Bioorg Med Chem Lett 13: 1963-6 (2003)


BindingDB Entry DOI: 10.7270/Q2KD1ZFT
More data for this
Ligand-Target Pair
Sphingomyelin phosphodiesterase 2


(Rattus norvegicus)		BDBM50128897
PNG
((3,3-Dimethyl-butyl)-carbamic acid (E)-(2S,3R)-2-(...)
Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COC(=O)NCCC(C)(C)C)NC(=O)C(C)(C)C
Show InChI InChI=1S/C30H58N2O4/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26(33)25(32-27(34)30(5,6)7)24-36-28(35)31-23-22-29(2,3)4/h20-21,25-26,33H,8-19,22-24H2,1-7H3,(H,31,35)(H,32,34)/b21-20+/t25-,26+/m0/s1
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Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against the membrane neutral magnesium-dependent Sphingomyelinase (N-SMase) using rat brain microsomes as the enzyme source

Bioorg Med Chem Lett 13: 1963-6 (2003)


BindingDB Entry DOI: 10.7270/Q2KD1ZFT
More data for this
Ligand-Target Pair
Sphingomyelin phosphodiesterase 2


(Rattus norvegicus)		BDBM50128901
PNG
(CHEMBL58502 | Pyridin-4-ylmethyl-carbamic acid (E)...)
Show SMILES CCCCCCCCCCCCCCCCCC(=O)N[C@@H](COC(=O)NCc1ccncc1)[C@H](O)\C=C\CCCCCCCCCCCCC
Show InChI InChI=1S/C43H77N3O4/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-42(48)46-40(38-50-43(49)45-37-39-33-35-44-36-34-39)41(47)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h29,31,33-36,40-41,47H,3-28,30,32,37-38H2,1-2H3,(H,45,49)(H,46,48)/b31-29+/t40-,41+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against the membrane neutral magnesium-dependent Sphingomyelinase (N-SMase) using rat brain microsomes as the enzyme source

Bioorg Med Chem Lett 13: 1963-6 (2003)


BindingDB Entry DOI: 10.7270/Q2KD1ZFT
More data for this
Ligand-Target Pair
Sphingomyelin phosphodiesterase 2


(Rattus norvegicus)		BDBM50128899
PNG
((S)-Pyridin-4-ylmethyl-carbamic acid (R)-2-amino-3...)
Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)COC(=O)NCc1ccncc1
Show InChI InChI=1S/C25H43N3O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24(29)23(26)21-31-25(30)28-20-22-16-18-27-19-17-22/h14-19,23-24,29H,2-13,20-21,26H2,1H3,(H,28,30)/b15-14+/t23-,24+/m0/s1
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Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against the membrane neutral magnesium-dependent Sphingomyelinase (N-SMase) using rat brain microsomes as the enzyme source

Bioorg Med Chem Lett 13: 1963-6 (2003)


BindingDB Entry DOI: 10.7270/Q2KD1ZFT
More data for this
Ligand-Target Pair
Sphingomyelin phosphodiesterase 2


(Rattus norvegicus)		BDBM50128894
PNG
(CHEMBL300328 | Pyridin-4-ylmethyl-carbamic acid (E...)
Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COC(=O)NCc1ccncc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C30H51N3O5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27(34)26(33-29(36)38-30(2,3)4)24-37-28(35)32-23-25-19-21-31-22-20-25/h17-22,26-27,34H,5-16,23-24H2,1-4H3,(H,32,35)(H,33,36)/b18-17+/t26-,27+/m0/s1
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Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against the membrane neutral magnesium-dependent Sphingomyelinase (N-SMase) using rat brain microsomes as the enzyme source

Bioorg Med Chem Lett 13: 1963-6 (2003)


BindingDB Entry DOI: 10.7270/Q2KD1ZFT
More data for this
Ligand-Target Pair
Sphingomyelin phosphodiesterase 2


(Rattus norvegicus)		BDBM50128907
PNG
(CHEMBL59031 | Pyridin-4-ylmethyl-carbamic acid (E)...)
Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COC(=O)NCc1ccncc1)NC(C)=O
Show InChI InChI=1S/C27H45N3O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-26(32)25(30-23(2)31)22-34-27(33)29-21-24-17-19-28-20-18-24/h15-20,25-26,32H,3-14,21-22H2,1-2H3,(H,29,33)(H,30,31)/b16-15+/t25-,26+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against the membrane neutral magnesium-dependent Sphingomyelinase (N-SMase) using rat brain microsomes as the enzyme source

Bioorg Med Chem Lett 13: 1963-6 (2003)


BindingDB Entry DOI: 10.7270/Q2KD1ZFT
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%