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PubMed code 14552757

Compile data set for download or QSAR
Found 9 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)		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 activity against N-SMase (neutral magnesium- dependent-sphingomyelinase) using rat brain microsomes

Bioorg Med Chem Lett 13: 3681-4 (2003)


BindingDB Entry DOI: 10.7270/Q2416WGH
More data for this
Ligand-Target Pair
Sphingomyelin phosphodiesterase 2


(Rattus norvegicus)		BDBM50134343
PNG
(CHEMBL331289 | N-[(E)-(1S,2R)-2-Hydroxy-1-(3-pyrid...)
Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CNC(=O)NCc1ccncc1)NC(=O)C(C)(C)C
Show InChI InChI=1S/C30H52N4O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27(35)26(34-28(36)30(2,3)4)24-33-29(37)32-23-25-19-21-31-22-20-25/h17-22,26-27,35H,5-16,23-24H2,1-4H3,(H,34,36)(H2,32,33,37)/b18-17+/t26-,27+/m0/s1
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n/an/a 2.90E+3n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against N-SMase (neutral magnesium- dependent-sphingomyelinase) using rat brain microsomes

Bioorg Med Chem Lett 13: 3681-4 (2003)


BindingDB Entry DOI: 10.7270/Q2416WGH
More data for this
Ligand-Target Pair
Sphingomyelin phosphodiesterase 2


(Rattus norvegicus)		BDBM50134339
PNG
(CHEMBL121813 | Pyridin-4-ylmethyl-carbamic acid (E...)
Show SMILES CCCCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COC(=O)NCc1ccncc1)NC(=O)C(C)(C)C
Show InChI InChI=1S/C32H55N3O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-29(36)28(35-30(37)32(2,3)4)26-39-31(38)34-25-27-21-23-33-24-22-27/h19-24,28-29,36H,5-18,25-26H2,1-4H3,(H,34,38)(H,35,37)/b20-19+/t28-,29+/m0/s1
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n/an/a 6.60E+3n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against N-SMase (neutral magnesium- dependent-sphingomyelinase) using rat brain microsomes

Bioorg Med Chem Lett 13: 3681-4 (2003)


BindingDB Entry DOI: 10.7270/Q2416WGH
More data for this
Ligand-Target Pair
Sphingomyelin phosphodiesterase 2


(Rattus norvegicus)		BDBM50134340
PNG
(CHEMBL122459 | Pyridin-4-ylmethyl-carbamic acid (E...)
Show SMILES CCCCCCCCCC\C=C\[C@@H](O)[C@H](COC(=O)NCc1ccncc1)NC(=O)C(C)(C)C
Show InChI InChI=1S/C27H45N3O4/c1-5-6-7-8-9-10-11-12-13-14-15-24(31)23(30-25(32)27(2,3)4)21-34-26(33)29-20-22-16-18-28-19-17-22/h14-19,23-24,31H,5-13,20-21H2,1-4H3,(H,29,33)(H,30,32)/b15-14+/t23-,24+/m0/s1
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n/an/a 6.80E+3n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against N-SMase (neutral magnesium- dependent-sphingomyelinase) using rat brain microsomes

Bioorg Med Chem Lett 13: 3681-4 (2003)


BindingDB Entry DOI: 10.7270/Q2416WGH
More data for this
Ligand-Target Pair
Sphingomyelin phosphodiesterase 2


(Rattus norvegicus)		BDBM50134345
PNG
((2S,3R)-2-[(2,2-dimethylpropanoyl)amino]-3-hydroxy...)
Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COC(=O)N(O)Cc1ccncc1)NC(=O)C(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(32-28(35)30(2,3)4)24-38-29(36)33(37)23-25-19-21-31-22-20-25/h17-22,26-27,34,37H,5-16,23-24H2,1-4H3,(H,32,35)/b18-17+/t26-,27+/m0/s1
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n/an/a 2.10E+4n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against N-SMase (neutral magnesium- dependent-sphingomyelinase) using rat brain microsomes

Bioorg Med Chem Lett 13: 3681-4 (2003)


BindingDB Entry DOI: 10.7270/Q2416WGH
More data for this
Ligand-Target Pair
Sphingomyelin phosphodiesterase 2


(Rattus norvegicus)		BDBM50134344
PNG
(CHEMBL122630 | N-[(E)-(1S,2R)-2-Hydroxy-1-(3-pyrid...)
Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CNC(=S)NCc1ccncc1)NC(=O)C(C)(C)C
Show InChI InChI=1S/C30H52N4O2S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27(35)26(34-28(36)30(2,3)4)24-33-29(37)32-23-25-19-21-31-22-20-25/h17-22,26-27,35H,5-16,23-24H2,1-4H3,(H,34,36)(H2,32,33,37)/b18-17+/t26-,27+/m0/s1
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n/an/a 4.50E+4n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against N-SMase (neutral magnesium- dependent-sphingomyelinase) using rat brain microsomes

Bioorg Med Chem Lett 13: 3681-4 (2003)


BindingDB Entry DOI: 10.7270/Q2416WGH
More data for this
Ligand-Target Pair
Sphingomyelin phosphodiesterase 2


(Rattus norvegicus)		BDBM50134341
PNG
(CHEMBL338246 | [(E)-(2S,3R)-2-(2,2-Dimethyl-propio...)
Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CNC(=O)OCc1ccncc1)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)23-32-29(36)37-24-25-19-21-31-22-20-25/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 5.80E+4n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against N-SMase (neutral magnesium- dependent-sphingomyelinase) using rat brain microsomes

Bioorg Med Chem Lett 13: 3681-4 (2003)


BindingDB Entry DOI: 10.7270/Q2416WGH
More data for this
Ligand-Target Pair
Sphingomyelin phosphodiesterase 2


(Rattus norvegicus)		BDBM50134342
PNG
(CHEMBL121728 | Pyridin-4-ylmethyl-carbamic acid (2...)
Show SMILES CCCCCCCCCCCC[C@@H](O)[C@H](COC(=O)NCc1ccncc1)NC(=O)C(C)(C)C
Show InChI InChI=1S/C27H47N3O4/c1-5-6-7-8-9-10-11-12-13-14-15-24(31)23(30-25(32)27(2,3)4)21-34-26(33)29-20-22-16-18-28-19-17-22/h16-19,23-24,31H,5-15,20-21H2,1-4H3,(H,29,33)(H,30,32)/t23-,24+/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 activity against N-SMase (neutral magnesium- dependent-sphingomyelinase) using rat brain microsomes

Bioorg Med Chem Lett 13: 3681-4 (2003)


BindingDB Entry DOI: 10.7270/Q2416WGH
More data for this
Ligand-Target Pair
Sphingomyelin phosphodiesterase 2


(Rattus norvegicus)		BDBM50134338
PNG
(CHEMBL123658 | Pyridin-4-ylmethyl-carbamic acid (2...)
Show SMILES CCCCCCCCCCCCCCC[C@@H](O)[C@H](COC(=O)NCc1ccncc1)NC(=O)C(C)(C)C
Show InChI InChI=1S/C30H53N3O4/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/h19-22,26-27,34H,5-18,23-24H2,1-4H3,(H,32,36)(H,33,35)/t26-,27+/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 activity against N-SMase (neutral magnesium- dependent-sphingomyelinase) using rat brain microsomes

Bioorg Med Chem Lett 13: 3681-4 (2003)


BindingDB Entry DOI: 10.7270/Q2416WGH
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%