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PubMed code 29649738

Compile data set for download or QSAR
Found 49 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


(Homo sapiens)		BDBM50370179
PNG
(CHEMBL4163007)
Show SMILES CCCCCCCCCC(N)(OP(O)(O)=O)OP(O)(O)=O
Show InChI InChI=1S/C10H25NO8P2/c1-2-3-4-5-6-7-8-9-10(11,18-20(12,13)14)19-21(15,16)17/h2-9,11H2,1H3,(H2,12,13,14)(H2,15,16,17)
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n/an/a 20n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of acid sphingomyelinase in human HuH7 cell lysate using NBD-sphingomyelin as substrate after 30 mins by TLC based fluorescence assay

Eur J Med Chem 151: 389-400 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.065
BindingDB Entry DOI: 10.7270/Q21R6T2M
More data for this
Ligand-Target Pair
Sphingomyelin phosphodiesterase


(Homo sapiens)		BDBM50370125
PNG
(CHEMBL4176817)
Show SMILES CCCCCCCCCCCC(O)(OP(O)(O)=O)OP(O)(O)=O
Show InChI InChI=1S/C12H28O9P2/c1-2-3-4-5-6-7-8-9-10-11-12(13,20-22(14,15)16)21-23(17,18)19/h13H,2-11H2,1H3,(H2,14,15,16)(H2,17,18,19)
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n/an/a 70n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of acid sphingomyelinase in human HuH7 cell lysate using NBD-sphingomyelin as substrate after 30 mins by TLC based fluorescence assay

Eur J Med Chem 151: 389-400 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.065
BindingDB Entry DOI: 10.7270/Q21R6T2M
More data for this
Ligand-Target Pair
Sphingomyelin phosphodiesterase


(Homo sapiens)		BDBM50370079
PNG
(CHEMBL4167088)
Show SMILES CCCCCCCCCCCC(N)(OP(O)(O)=O)OP(O)(O)=O
Show InChI InChI=1S/C12H29NO8P2/c1-2-3-4-5-6-7-8-9-10-11-12(13,20-22(14,15)16)21-23(17,18)19/h2-11,13H2,1H3,(H2,14,15,16)(H2,17,18,19)
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n/an/a 290n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of acid sphingomyelinase in human HuH7 cell lysate using NBD-sphingomyelin as substrate after 30 mins by TLC based fluorescence assay

Eur J Med Chem 151: 389-400 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.065
BindingDB Entry DOI: 10.7270/Q21R6T2M
More data for this
Ligand-Target Pair
Sphingomyelin phosphodiesterase


(Homo sapiens)		BDBM50370173
PNG
(CHEMBL4161092)
Show SMILES CCCCCCCCCC(OP(O)(O)=O)OP(O)(O)=O
Show InChI InChI=1S/C10H24O8P2/c1-2-3-4-5-6-7-8-9-10(17-19(11,12)13)18-20(14,15)16/h10H,2-9H2,1H3,(H2,11,12,13)(H2,14,15,16)
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n/an/a 300n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of acid sphingomyelinase in human HuH7 cell lysate using NBD-sphingomyelin as substrate after 30 mins by TLC based fluorescence assay

Eur J Med Chem 151: 389-400 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.065
BindingDB Entry DOI: 10.7270/Q21R6T2M
More data for this
Ligand-Target Pair
Sphingomyelin phosphodiesterase


(Homo sapiens)		BDBM50370150
PNG
(CHEMBL4172326)
Show SMILES CCCCCCCCCCC(OP(O)(O)=O)OP(O)(O)=O
Show InChI InChI=1S/C11H26O8P2/c1-2-3-4-5-6-7-8-9-10-11(18-20(12,13)14)19-21(15,16)17/h11H,2-10H2,1H3,(H2,12,13,14)(H2,15,16,17)
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n/an/a 310n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of acid sphingomyelinase in human HuH7 cell lysate using NBD-sphingomyelin as substrate after 30 mins by TLC based fluorescence assay

Eur J Med Chem 151: 389-400 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.065
BindingDB Entry DOI: 10.7270/Q21R6T2M
More data for this
Ligand-Target Pair
Sphingomyelin phosphodiesterase


(Homo sapiens)		BDBM50370164
PNG
(CHEMBL4169019)
Show SMILES CCCCCCCC(OP(O)(O)=O)OP(O)(O)=O
Show InChI InChI=1S/C160H265N49O45/c1-20-24-38-93(186-143(240)105(50-58-122(219)220)198-150(247)111(69-82(11)12)205-156(253)125(83(13)14)207-146(243)106(51-59-123(221)222)196-139(236)99(44-35-65-178-160(171)172)190-149(246)109(67-80(7)8)202-151(248)110(68-81(9)10)203-152(249)113(72-91-75-174-78-180-91)200-132(229)92(162)70-89-36-27-26-28-37-89)133(230)181-86(17)129(226)184-97(42-33-63-176-158(167)168)137(234)194-103(48-56-120(215)216)145(242)195-104(49-57-121(217)218)144(241)192-101(46-54-117(164)212)142(239)193-102-47-55-119(214)175-62-32-30-41-95(187-141(238)100(45-53-116(163)211)185-130(227)87(18)183-135(102)232)134(231)182-88(19)131(228)199-112(71-90-74-173-77-179-90)153(250)206-115(76-210)155(252)204-114(73-118(165)213)154(251)191-98(43-34-64-177-159(169)170)138(235)188-96(40-29-31-61-161)140(237)201-108(66-79(5)6)148(245)189-94(39-25-21-2)136(233)197-107(52-60-124(223)224)147(244)209-127(85(16)23-4)157(254)208-126(128(166)225)84(15)22-3/h26-28,36-37,74-75,77-88,92-115,125-127,210H,20-25,29-35,38-73,76,161-162H2,1-19H3,(H2,163,211)(H2,164,212)(H2,165,213)(H2,166,225)(H,173,179)(H,174,180)(H,175,214)(H,181,230)(H,182,231)(H,183,232)(H,184,226)(H,185,227)(H,186,240)(H,187,238)(H,188,235)(H,189,245)(H,190,246)(H,191,251)(H,192,241)(H,193,239)(H,194,234)(H,195,242)(H,196,236)(H,197,233)(H,198,247)(H,199,228)(H,200,229)(H,201,237)(H,202,248)(H,203,249)(H,204,252)(H,205,253)(H,206,250)(H,207,243)(H,208,254)(H,209,244)(H,215,216)(H,217,218)(H,219,220)(H,221,222)(H,223,224)(H4,167,168,176)(H4,169,170,177)(H4,171,172,178)/t84?,85-,86+,87+,88+,92-,93+,94+,95-,96+,97+,98+,99+,100-,101+,102+,103+,104+,105+,106+,107+,108+,109+,110+,111+,112+,113+,114+,115+,125+,126+,127+/m1/s1
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n/an/a 350n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of acid sphingomyelinase in human HuH7 cell lysate using NBD-sphingomyelin as substrate after 30 mins by TLC based fluorescence assay

Eur J Med Chem 151: 389-400 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.065
BindingDB Entry DOI: 10.7270/Q21R6T2M
More data for this
Ligand-Target Pair
Sphingomyelin phosphodiesterase


(Homo sapiens)		BDBM50370151
PNG
(CHEMBL4175277)
Show SMILES CCCCCCCCCCCCS(=O)(=O)O[C@H]1OC(O)[C@H](OP(O)(O)=O)[C@@H](O)[C@@H]1OP(O)(O)=O |r|
Show InChI InChI=1S/C17H36O14P2S/c1-2-3-4-5-6-7-8-9-10-11-12-34(26,27)31-17-15(30-33(23,24)25)13(18)14(16(19)28-17)29-32(20,21)22/h13-19H,2-12H2,1H3,(H2,20,21,22)(H2,23,24,25)/t13-,14-,15+,16?,17-/m1/s1
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n/an/a 440n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of acid sphingomyelinase in human HuH7 cell lysate using NBD-sphingomyelin as substrate after 30 mins by TLC based fluorescence assay

Eur J Med Chem 151: 389-400 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.065
BindingDB Entry DOI: 10.7270/Q21R6T2M
More data for this
Ligand-Target Pair
Sphingomyelin phosphodiesterase


(Homo sapiens)		BDBM50370175
PNG
(CHEMBL4167681)
Show SMILES CCCCCCCCCCOc1cc(ccc1OC)C(=O)NO
Show InChI InChI=1S/C18H29NO4/c1-3-4-5-6-7-8-9-10-13-23-17-14-15(18(20)19-21)11-12-16(17)22-2/h11-12,14,21H,3-10,13H2,1-2H3,(H,19,20)
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n/an/a 480n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of acid sphingomyelinase in human HuH7 cell lysate using NBD-sphingomyelin as substrate after 30 mins by TLC based fluorescence assay

Eur J Med Chem 151: 389-400 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.065
BindingDB Entry DOI: 10.7270/Q21R6T2M
More data for this
Ligand-Target Pair
Sphingomyelin phosphodiesterase


(Homo sapiens)		BDBM50370126
PNG
(CHEMBL4167496)
Show SMILES CCCCCCCCCCOc1cccc(c1)C(=O)NO
Show InChI InChI=1S/C17H27NO3/c1-2-3-4-5-6-7-8-9-13-21-16-12-10-11-15(14-16)17(19)18-20/h10-12,14,20H,2-9,13H2,1H3,(H,18,19)
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n/an/a 1.42E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of acid sphingomyelinase in human HuH7 cell lysate using NBD-sphingomyelin as substrate after 30 mins by TLC based fluorescence assay

Eur J Med Chem 151: 389-400 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.065
BindingDB Entry DOI: 10.7270/Q21R6T2M
More data for this
Ligand-Target Pair
Sphingomyelin phosphodiesterase


(Homo sapiens)		BDBM50308980
PNG
(6-O-Octylsulfonyl-D-glucose-2,4-bisphosphate | CHE...)
Show SMILES CCCCCCCCS(=O)(=O)OC[C@H]1OC(O)[C@H](OP(O)(O)=O)[C@@H](O)[C@@H]1OP(O)(O)=O |r|
Show InChI InChI=1S/C14H30O14P2S/c1-2-3-4-5-6-7-8-31(23,24)25-9-10-12(27-29(17,18)19)11(15)13(14(16)26-10)28-30(20,21)22/h10-16H,2-9H2,1H3,(H2,17,18,19)(H2,20,21,22)/t10-,11+,12-,13-,14?/m1/s1
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n/an/a 2.34E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of acid sphingomyelinase in human HuH7 cell lysate using NBD-sphingomyelin as substrate after 30 mins by TLC based fluorescence assay

Eur J Med Chem 151: 389-400 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.065
BindingDB Entry DOI: 10.7270/Q21R6T2M
More data for this
Ligand-Target Pair
Sphingomyelin phosphodiesterase


(Homo sapiens)		BDBM50370153
PNG
(CHEMBL4175734)
Show SMILES CCOc1ccc2oc(c(N)c(=O)c2c1)-c1cc(Br)cc2COCOc12
Show InChI InChI=1S/C19H16BrNO5/c1-2-24-12-3-4-15-13(7-12)17(22)16(21)19(26-15)14-6-11(20)5-10-8-23-9-25-18(10)14/h3-7H,2,8-9,21H2,1H3
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n/an/a 3.50E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of acid sphingomyelinase in human HuH7 cell lysate using NBD-sphingomyelin as substrate after 30 mins by TLC based fluorescence assay

Eur J Med Chem 151: 389-400 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.065
BindingDB Entry DOI: 10.7270/Q21R6T2M
More data for this
Ligand-Target Pair
Sphingomyelin phosphodiesterase


(Homo sapiens)		BDBM50308981
PNG
(6-O-Hexylsulfonyl-D-glucose-2,4-bisphosphate | CHE...)
Show SMILES CCCCCCS(=O)(=O)OC[C@H]1OC(O)[C@H](OP(O)(O)=O)[C@@H](O)[C@@H]1OP(O)(O)=O |r|
Show InChI InChI=1S/C12H26O14P2S/c1-2-3-4-5-6-29(21,22)23-7-8-10(25-27(15,16)17)9(13)11(12(14)24-8)26-28(18,19)20/h8-14H,2-7H2,1H3,(H2,15,16,17)(H2,18,19,20)/t8-,9+,10-,11-,12?/m1/s1
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n/an/a 4.16E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of acid sphingomyelinase in human HuH7 cell lysate using NBD-sphingomyelin as substrate after 30 mins by TLC based fluorescence assay

Eur J Med Chem 151: 389-400 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.065
BindingDB Entry DOI: 10.7270/Q21R6T2M
More data for this
Ligand-Target Pair
Sphingomyelin phosphodiesterase


(Homo sapiens)		BDBM50370076
PNG
(CHEMBL4168652)
Show SMILES CCNC(=O)\C=C\Cc1c(O)c(OC)cc2oc3cc(OC)cc(O)c3c(=O)c12
Show InChI InChI=1S/C21H21NO7/c1-4-22-17(24)7-5-6-12-18-15(10-16(28-3)20(12)25)29-14-9-11(27-2)8-13(23)19(14)21(18)26/h5,7-10,23,25H,4,6H2,1-3H3,(H,22,24)/b7-5+
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n/an/a 4.89E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of acid sphingomyelinase in human HuH7 cell lysate using NBD-sphingomyelin as substrate after 30 mins by TLC based fluorescence assay

Eur J Med Chem 151: 389-400 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.065
BindingDB Entry DOI: 10.7270/Q21R6T2M
More data for this
Ligand-Target Pair
Sphingomyelin phosphodiesterase


(Homo sapiens)		BDBM50370171
PNG
(CHEMBL4160348)
Show SMILES CCN(CC)C(=O)\C=C\Cc1c(O)c(OC)cc2oc3cc(OC)cc(O)c3c(=O)c12
Show InChI InChI=1S/C23H25NO7/c1-5-24(6-2)19(26)9-7-8-14-20-17(12-18(30-4)22(14)27)31-16-11-13(29-3)10-15(25)21(16)23(20)28/h7,9-12,25,27H,5-6,8H2,1-4H3/b9-7+
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n/an/a 4.89E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of acid sphingomyelinase in human HuH7 cell lysate using NBD-sphingomyelin as substrate after 30 mins by TLC based fluorescence assay

Eur J Med Chem 151: 389-400 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.065
BindingDB Entry DOI: 10.7270/Q21R6T2M
More data for this
Ligand-Target Pair
Sphingomyelin phosphodiesterase


(Homo sapiens)		BDBM50370149
PNG
(CHEMBL4169530)
Show SMILES COc1ccc(cc1OCc1ccc(Br)cc1)C(=O)NO
Show InChI InChI=1S/C15H14BrNO4/c1-20-13-7-4-11(15(18)17-19)8-14(13)21-9-10-2-5-12(16)6-3-10/h2-8,19H,9H2,1H3,(H,17,18)
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n/an/a 7.78E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of acid sphingomyelinase in human HuH7 cell lysate using NBD-sphingomyelin as substrate after 30 mins by TLC based fluorescence assay

Eur J Med Chem 151: 389-400 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.065
BindingDB Entry DOI: 10.7270/Q21R6T2M
More data for this
Ligand-Target Pair
Sphingomyelin phosphodiesterase


(Homo sapiens)		BDBM50370178
PNG
(CHEMBL3261720)
Show SMILES COc1c(O)cc2oc3cc(O)c(CCC(C)C)c(O)c3c(=O)c2c1CCC(C)C
Show InChI InChI=1S/C24H30O6/c1-12(2)6-8-14-16(25)10-19-21(22(14)27)23(28)20-15(9-7-13(3)4)24(29-5)17(26)11-18(20)30-19/h10-13,25-27H,6-9H2,1-5H3
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n/an/a 1.01E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of acid sphingomyelinase in human HuH7 cell lysate using NBD-sphingomyelin as substrate after 30 mins by TLC based fluorescence assay

Eur J Med Chem 151: 389-400 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.065
BindingDB Entry DOI: 10.7270/Q21R6T2M
More data for this
Ligand-Target Pair
Sphingomyelin phosphodiesterase


(Homo sapiens)		BDBM50164532
PNG
(CHEMBL3797516)
Show SMILES COc1ccc(cc1OCc1ccccc1)C(=O)NO
Show InChI InChI=1S/C15H15NO4/c1-19-13-8-7-12(15(17)16-18)9-14(13)20-10-11-5-3-2-4-6-11/h2-9,18H,10H2,1H3,(H,16,17)
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n/an/a 1.05E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of acid sphingomyelinase in human HuH7 cell lysate using NBD-sphingomyelin as substrate after 30 mins by TLC based fluorescence assay

Eur J Med Chem 151: 389-400 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.065
BindingDB Entry DOI: 10.7270/Q21R6T2M
More data for this
Ligand-Target Pair
Sphingomyelin phosphodiesterase


(Homo sapiens)		BDBM50370154
PNG
(CHEMBL4175453)
Show SMILES Cc1csc(n1)-c1c(oc2cc(O)c(C)cc2c1=O)C(F)(F)F
Show InChI InChI=1S/C15H10F3NO3S/c1-6-3-8-10(4-9(6)20)22-13(15(16,17)18)11(12(8)21)14-19-7(2)5-23-14/h3-5,20H,1-2H3
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n/an/a 1.07E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of acid sphingomyelinase in human HuH7 cell lysate using NBD-sphingomyelin as substrate after 30 mins by TLC based fluorescence assay

Eur J Med Chem 151: 389-400 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.065
BindingDB Entry DOI: 10.7270/Q21R6T2M
More data for this
Ligand-Target Pair
Sphingomyelin phosphodiesterase


(Homo sapiens)		BDBM50370147
PNG
(CHEMBL4171926)
Show SMILES CCCCCCCCCCCCOc1cccc(c1)C(=O)NO
Show InChI InChI=1S/C19H31NO3/c1-2-3-4-5-6-7-8-9-10-11-15-23-18-14-12-13-17(16-18)19(21)20-22/h12-14,16,22H,2-11,15H2,1H3,(H,20,21)
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n/an/a 1.31E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of acid sphingomyelinase in human HuH7 cell lysate using NBD-sphingomyelin as substrate after 30 mins by TLC based fluorescence assay

Eur J Med Chem 151: 389-400 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.065
BindingDB Entry DOI: 10.7270/Q21R6T2M
More data for this
Ligand-Target Pair
Sphingomyelin phosphodiesterase


(Bos taurus)		BDBM50214969
PNG
(1,3,6-Trihydroxy-7-methoxy-2,8-bis-(3-methyl-but-2...)
Show SMILES [#6]-[#8]-c1c(-[#8])cc2oc3cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6]
Show InChI InChI=1S/C24H26O6/c1-12(2)6-8-14-16(25)10-19-21(22(14)27)23(28)20-15(9-7-13(3)4)24(29-5)17(26)11-18(20)30-19/h6-7,10-11,25-27H,8-9H2,1-5H3
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n/an/a 1.41E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain-derived acidic sphingomyelinase

Eur J Med Chem 151: 389-400 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.065
BindingDB Entry DOI: 10.7270/Q21R6T2M
More data for this
Ligand-Target Pair
Sphingomyelin phosphodiesterase


(Homo sapiens)		BDBM50370169
PNG
(CHEMBL1993056)
Show SMILES COc1ccc(\C=N\NC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2)c(C(O)=O)c1OC
Show InChI InChI=1S/C163H271N49O44/c1-22-26-40-97(191-145(241)108(52-60-124(220)221)200-154(250)115(72-85(13)14)207-159(255)127(86(15)16)209-148(244)109(53-61-125(222)223)198-142(238)103(46-37-67-181-163(174)175)195-153(249)113(70-83(9)10)204-155(251)114(71-84(11)12)205-156(252)116(74-93-76-176-79-182-93)201-136(232)96(165)73-92-38-29-28-30-39-92)137(233)184-89(19)131(227)187-101(44-35-65-179-161(170)171)138(234)185-90(20)132(228)189-107(51-59-123(218)219)144(240)197-104(48-56-120(167)215)146(242)202-111(68-81(5)6)151(247)186-91(21)133(229)188-105(49-57-121(168)216)150(246)212-135(231)95(47-55-119(166)214)134(230)190-106-50-58-122(217)178-64-34-32-43-100(196-158(254)118(78-213)208-157(253)117(206-147(106)243)75-94-77-177-80-183-94)140(236)193-102(45-36-66-180-162(172)173)141(237)192-99(42-31-33-63-164)143(239)203-112(69-82(7)8)152(248)194-98(41-27-23-2)139(235)199-110(54-62-126(224)225)149(245)211-129(88(18)25-4)160(256)210-128(130(169)226)87(17)24-3/h28-30,38-39,76-77,79-91,95-118,127-129,213H,22-27,31-37,40-75,78,164-165H2,1-21H3,(H2,166,214)(H2,167,215)(H2,168,216)(H2,169,226)(H,176,182)(H,177,183)(H,178,217)(H,184,233)(H,185,234)(H,186,247)(H,187,227)(H,188,229)(H,189,228)(H,190,230)(H,191,241)(H,192,237)(H,193,236)(H,194,248)(H,195,249)(H,196,254)(H,197,240)(H,198,238)(H,199,235)(H,200,250)(H,201,232)(H,202,242)(H,203,239)(H,204,251)(H,205,252)(H,206,243)(H,207,255)(H,208,253)(H,209,244)(H,210,256)(H,211,245)(H,218,219)(H,220,221)(H,222,223)(H,224,225)(H4,170,171,179)(H4,172,173,180)(H4,174,175,181)(H,212,231,246)/t87-,88-,89+,90+,91+,95?,96-,97+,98+,99+,100+,101+,102+,103+,104+,105+,106-,107+,108+,109+,110+,111+,112+,113+,114+,115+,116?,117-,118+,127+,128+,129+/m1/s1
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n/an/a 1.41E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of acid sphingomyelinase in human HuH7 cell lysate using NBD-sphingomyelin as substrate after 30 mins by TLC based fluorescence assay

Eur J Med Chem 151: 389-400 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.065
BindingDB Entry DOI: 10.7270/Q21R6T2M
More data for this
Ligand-Target Pair
Sphingomyelin phosphodiesterase


(Homo sapiens)		BDBM50370165
PNG
(CHEMBL1399744)
Show SMILES COc1ccc(NC(=O)Cc2coc3ccc4ccccc4c23)cc1S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C159H266N48O42/c1-23-27-41-95(186-142(235)105(51-57-121(214)215)195-149(242)112(69-83(13)14)203-155(248)124(84(15)16)205-144(237)106(52-58-122(216)217)193-139(232)101(47-38-64-176-159(169)170)189-148(241)110(67-81(9)10)200-150(243)111(68-82(11)12)201-151(244)114(72-93-75-172-78-178-93)197-132(225)94(161)70-91-39-30-29-31-40-91)133(226)179-87(19)128(221)184-99(45-36-62-174-157(165)166)134(227)180-88(20)130(223)185-104(50-56-120(212)213)141(234)192-103-49-55-119(211)173-61-35-33-44-97(183-129(222)89(21)182-146(239)108(65-79(5)6)198-143(103)236)137(230)191-102(48-54-117(162)209)135(228)181-90(22)131(224)196-113(71-92-74-171-77-177-92)152(245)204-116(76-208)154(247)202-115(73-118(163)210)153(246)190-100(46-37-63-175-158(167)168)138(231)187-98(43-32-34-60-160)140(233)199-109(66-80(7)8)147(240)188-96(42-28-24-2)136(229)194-107(53-59-123(218)219)145(238)207-126(86(18)26-4)156(249)206-125(127(164)220)85(17)25-3/h29-31,39-40,74-75,77-90,94-116,124-126,208H,23-28,32-38,41-73,76,160-161H2,1-22H3,(H2,162,209)(H2,163,210)(H2,164,220)(H,171,177)(H,172,178)(H,173,211)(H,179,226)(H,180,227)(H,181,228)(H,182,239)(H,183,222)(H,184,221)(H,185,223)(H,186,235)(H,187,231)(H,188,240)(H,189,241)(H,190,246)(H,191,230)(H,192,234)(H,193,232)(H,194,229)(H,195,242)(H,196,224)(H,197,225)(H,198,236)(H,199,233)(H,200,243)(H,201,244)(H,202,247)(H,203,248)(H,204,245)(H,205,237)(H,206,249)(H,207,238)(H,212,213)(H,214,215)(H,216,217)(H,218,219)(H4,165,166,174)(H4,167,168,175)(H4,169,170,176)/t85-,86?,87+,88+,89-,90+,94-,95+,96+,97-,98+,99+,100+,101+,102+,103+,104+,105+,106+,107+,108+,109+,110+,111+,112+,113+,114+,115+,116+,124+,125+,126+/m1/s1
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n/an/a 1.41E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of acid sphingomyelinase in human HuH7 cell lysate using NBD-sphingomyelin as substrate after 30 mins by TLC based fluorescence assay

Eur J Med Chem 151: 389-400 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.065
BindingDB Entry DOI: 10.7270/Q21R6T2M
More data for this
Ligand-Target Pair
Sphingomyelin phosphodiesterase


(Homo sapiens)		BDBM50221662
PNG
(CHEMBL320658)
Show SMILES [#6]-[#8]-c1c(-[#8])cc(-[#8])c(-[#6](=O)-c2c(-[#8])cc(-[#8])cc2-[#8])c1-[#6]\[#6]=[#6](/[#6])-[#6]
Show InChI InChI=1S/C19H20O7/c1-9(2)4-5-11-16(14(23)8-15(24)19(11)26-3)18(25)17-12(21)6-10(20)7-13(17)22/h4,6-8,20-24H,5H2,1-3H3
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n/an/a 1.47E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of acid sphingomyelinase in human HuH7 cell lysate using NBD-sphingomyelin as substrate after 30 mins by TLC based fluorescence assay

Eur J Med Chem 151: 389-400 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.065
BindingDB Entry DOI: 10.7270/Q21R6T2M
More data for this
Ligand-Target Pair
Sphingomyelin phosphodiesterase


(Homo sapiens)		BDBM50370127
PNG
(CHEMBL4160451)
Show SMILES CCCCCCCCOc1cc(ccc1OC)C(=O)NO
Show InChI InChI=1S/C16H25NO4/c1-3-4-5-6-7-8-11-21-15-12-13(16(18)17-19)9-10-14(15)20-2/h9-10,12,19H,3-8,11H2,1-2H3,(H,17,18)
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n/an/a 1.61E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of acid sphingomyelinase in human HuH7 cell lysate using NBD-sphingomyelin as substrate after 30 mins by TLC based fluorescence assay

Eur J Med Chem 151: 389-400 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.065
BindingDB Entry DOI: 10.7270/Q21R6T2M
More data for this
Ligand-Target Pair
Sphingomyelin phosphodiesterase


(Homo sapiens)		BDBM50370146
PNG
(CHEMBL4175373)
Show SMILES CCCCCCCCOc1cccc(c1)C(=O)NO
Show InChI InChI=1S/C15H23NO3/c1-2-3-4-5-6-7-11-19-14-10-8-9-13(12-14)15(17)16-18/h8-10,12,18H,2-7,11H2,1H3,(H,16,17)
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n/an/a 1.74E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of acid sphingomyelinase in human HuH7 cell lysate using NBD-sphingomyelin as substrate after 30 mins by TLC based fluorescence assay

Eur J Med Chem 151: 389-400 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.065
BindingDB Entry DOI: 10.7270/Q21R6T2M
More data for this
Ligand-Target Pair
Sphingomyelin phosphodiesterase


(Homo sapiens)		BDBM50370145
PNG
(CHEMBL4159359)
Show SMILES CCCCCCCCCCOc1cc(ccc1O)C(=O)NO
Show InChI InChI=1S/C17H27NO4/c1-2-3-4-5-6-7-8-9-12-22-16-13-14(17(20)18-21)10-11-15(16)19/h10-11,13,19,21H,2-9,12H2,1H3,(H,18,20)
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n/an/a 1.74E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of acid sphingomyelinase in human HuH7 cell lysate using NBD-sphingomyelin as substrate after 30 mins by TLC based fluorescence assay

Eur J Med Chem 151: 389-400 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.065
BindingDB Entry DOI: 10.7270/Q21R6T2M
More data for this
Ligand-Target Pair
Sphingomyelin phosphodiesterase


(Homo sapiens)		BDBM50370138
PNG
(CHEMBL4175550)
Show SMILES CCCCCCCCCCCCOc1cc(ccc1OC)C(=O)NO
Show InChI InChI=1S/C20H33NO4/c1-3-4-5-6-7-8-9-10-11-12-15-25-19-16-17(20(22)21-23)13-14-18(19)24-2/h13-14,16,23H,3-12,15H2,1-2H3,(H,21,22)
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n/an/a 1.86E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of acid sphingomyelinase in human HuH7 cell lysate using NBD-sphingomyelin as substrate after 30 mins by TLC based fluorescence assay

Eur J Med Chem 151: 389-400 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.065
BindingDB Entry DOI: 10.7270/Q21R6T2M
More data for this
Ligand-Target Pair
Sphingomyelin phosphodiesterase


(Homo sapiens)		BDBM50370158
PNG
(Cowanin)
Show SMILES [#6]-[#8]-c1c(-[#8])cc2oc3cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6]
Show InChI InChI=1S/C29H34O6/c1-16(2)8-7-9-18(5)11-13-20-25-23(15-22(31)29(20)34-6)35-24-14-21(30)19(12-10-17(3)4)27(32)26(24)28(25)33/h8,10-11,14-15,30-32H,7,9,12-13H2,1-6H3/b18-11+
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n/an/a 1.92E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of acid sphingomyelinase in human HuH7 cell lysate using NBD-sphingomyelin as substrate after 30 mins by TLC based fluorescence assay

Eur J Med Chem 151: 389-400 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.065
BindingDB Entry DOI: 10.7270/Q21R6T2M
More data for this
Ligand-Target Pair
Sphingomyelin phosphodiesterase


(Homo sapiens)		BDBM50370176
PNG
(CHEMBL1997732)
Show SMILES ONC(=O)c1cccc(OCc2ccc(Br)cc2)c1
Show InChI InChI=1S/C14H12BrNO3/c15-12-6-4-10(5-7-12)9-19-13-3-1-2-11(8-13)14(17)16-18/h1-8,18H,9H2,(H,16,17)
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n/an/a 1.94E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of acid sphingomyelinase in human HuH7 cell lysate using NBD-sphingomyelin as substrate after 30 mins by TLC based fluorescence assay

Eur J Med Chem 151: 389-400 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.065
BindingDB Entry DOI: 10.7270/Q21R6T2M
More data for this
Ligand-Target Pair
Sphingomyelin phosphodiesterase


(Homo sapiens)		BDBM50370155
PNG
(CHEMBL1452197)
Show SMILES Cc1cc2[nH]c(=O)c(=O)[nH]c2cc1S(=O)(=O)N1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C19H19ClN4O4S/c1-12-9-15-16(22-19(26)18(25)21-15)11-17(12)29(27,28)24-7-5-23(6-8-24)14-4-2-3-13(20)10-14/h2-4,9-11H,5-8H2,1H3,(H,21,25)(H,22,26)
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n/an/a 2.00E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of acid sphingomyelinase in human HuH7 cell lysate using NBD-sphingomyelin as substrate after 30 mins by TLC based fluorescence assay

Eur J Med Chem 151: 389-400 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.065
BindingDB Entry DOI: 10.7270/Q21R6T2M
More data for this
Ligand-Target Pair
Sphingomyelin phosphodiesterase


(Homo sapiens)		BDBM95130
PNG
(6-methyl-7-[4-[3-(trifluoromethyl)phenyl]piperazin...)
Show SMILES Cc1cc2[nH]c(=O)c(=O)[nH]c2cc1S(=O)(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C20H17F3N4O4S/c1-12-9-15-16(25-19(29)18(28)24-15)11-17(12)32(30,31)27-7-5-26(6-8-27)14-4-2-3-13(10-14)20(21,22)23/h2-4,9-11H,5-8H2,1H3
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n/an/a 2.00E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of acid sphingomyelinase in human HuH7 cell lysate using NBD-sphingomyelin as substrate after 30 mins by TLC based fluorescence assay

Eur J Med Chem 151: 389-400 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.065
BindingDB Entry DOI: 10.7270/Q21R6T2M
More data for this
Ligand-Target Pair
Sphingomyelin phosphodiesterase


(Homo sapiens)		BDBM50370174
PNG
(CHEMBL1600150)
Show SMILES Cc1c(oc2ccc(cc12)S(=O)(=O)N1CCOCC1)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C21H19F3N2O5S/c1-13-17-12-16(32(28,29)26-7-9-30-10-8-26)5-6-18(17)31-19(13)20(27)25-15-4-2-3-14(11-15)21(22,23)24/h2-6,11-12H,7-10H2,1H3,(H,25,27)
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n/an/a 2.24E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of acid sphingomyelinase in human HuH7 cell lysate using NBD-sphingomyelin as substrate after 30 mins by TLC based fluorescence assay

Eur J Med Chem 151: 389-400 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.065
BindingDB Entry DOI: 10.7270/Q21R6T2M
More data for this
Ligand-Target Pair
Sphingomyelin phosphodiesterase


(Homo sapiens)		BDBM50370159
PNG
(CHEMBL4162562)
Show SMILES O=c1cc(oc2c3ccccc3ccc12)-c1ccc2OCCCOc2c1
Show InChI InChI=1S/C22H16O4/c23-18-13-20(15-7-9-19-21(12-15)25-11-3-10-24-19)26-22-16-5-2-1-4-14(16)6-8-17(18)22/h1-2,4-9,12-13H,3,10-11H2
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n/an/a 2.43E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of acid sphingomyelinase in human HuH7 cell lysate using NBD-sphingomyelin as substrate after 30 mins by TLC based fluorescence assay

Eur J Med Chem 151: 389-400 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.065
BindingDB Entry DOI: 10.7270/Q21R6T2M
More data for this
Ligand-Target Pair
Sphingomyelin phosphodiesterase


(Homo sapiens)		BDBM50214969
PNG
(1,3,6-Trihydroxy-7-methoxy-2,8-bis-(3-methyl-but-2...)
Show SMILES [#6]-[#8]-c1c(-[#8])cc2oc3cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6]
Show InChI InChI=1S/C24H26O6/c1-12(2)6-8-14-16(25)10-19-21(22(14)27)23(28)20-15(9-7-13(3)4)24(29-5)17(26)11-18(20)30-19/h6-7,10-11,25-27H,8-9H2,1-5H3
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n/an/a 2.47E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of acid sphingomyelinase in human HuH7 cell lysate using NBD-sphingomyelin as substrate after 30 mins by TLC based fluorescence assay

Eur J Med Chem 151: 389-400 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.065
BindingDB Entry DOI: 10.7270/Q21R6T2M
More data for this
Ligand-Target Pair
Sphingomyelin phosphodiesterase


(Homo sapiens)		BDBM50370157
PNG
(CHEMBL1986027)
Show SMILES CC1=C(C(c2ccc(Cl)cc2)n2c(=O)\c(=C/c3cccc(OCC(O)=O)c3)sc2=N1)C(=O)Nc1ccccc1 |c:31,t:1|
Show InChI InChI=1S/C29H22ClN3O5S/c1-17-25(27(36)32-21-7-3-2-4-8-21)26(19-10-12-20(30)13-11-19)33-28(37)23(39-29(33)31-17)15-18-6-5-9-22(14-18)38-16-24(34)35/h2-15,26H,16H2,1H3,(H,32,36)(H,34,35)/b23-15+
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n/an/a 2.51E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of acid sphingomyelinase in human HuH7 cell lysate using NBD-sphingomyelin as substrate after 30 mins by TLC based fluorescence assay

Eur J Med Chem 151: 389-400 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.065
BindingDB Entry DOI: 10.7270/Q21R6T2M
More data for this
Ligand-Target Pair
Sphingomyelin phosphodiesterase


(Homo sapiens)		BDBM50132165
PNG
(CHEMBL3349692 | Ins (1,3,5)p3 | Phosphoric acid mo...)
Show SMILES O[C@H]1[C@H](OP(O)(O)=O)[C@@H](O)[C@H](OP(O)(O)=O)[C@H](O)[C@@H]1OP(O)(O)=O |r|
Show InChI InChI=1S/C6H15O15P3/c7-1-4(19-22(10,11)12)2(8)6(21-24(16,17)18)3(9)5(1)20-23(13,14)15/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)
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n/an/a 2.67E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of acid sphingomyelinase in human HuH7 cell lysate using NBD-sphingomyelin as substrate after 30 mins by TLC based fluorescence assay

Eur J Med Chem 151: 389-400 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.065
BindingDB Entry DOI: 10.7270/Q21R6T2M
More data for this
Ligand-Target Pair
Sphingomyelin phosphodiesterase


(Homo sapiens)		BDBM50370128
PNG
(CHEMBL4176510)
Show SMILES COc1cc(\C=C2\SC(=S)N(Nc3ncc(cc3Cl)C(F)(F)F)C2=O)cc(OC)c1OC
Show InChI InChI=1S/C19H15ClF3N3O4S2/c1-28-12-4-9(5-13(29-2)15(12)30-3)6-14-17(27)26(18(31)32-14)25-16-11(20)7-10(8-24-16)19(21,22)23/h4-8H,1-3H3,(H,24,25)/b14-6+
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n/an/a 2.82E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of acid sphingomyelinase in human HuH7 cell lysate using NBD-sphingomyelin as substrate after 30 mins by TLC based fluorescence assay

Eur J Med Chem 151: 389-400 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.065
BindingDB Entry DOI: 10.7270/Q21R6T2M
More data for this
Ligand-Target Pair
Sphingomyelin phosphodiesterase


(Homo sapiens)		BDBM50370168
PNG
(CHEMBL4167627)
Show SMILES Clc1ccc(c(Cl)c1)-n1nc(cc1-c1ccccc1)C(=O)N1CCOCC1
Show InChI InChI=1S/C158H267N47O43/c1-23-27-41-93(185-142(235)104(52-59-120(213)214)194-149(242)111(71-82(13)14)201-154(247)123(83(15)16)203-144(237)105(53-60-121(215)216)192-137(230)99(47-38-66-175-158(169)170)188-148(241)109(69-80(9)10)198-150(243)110(70-81(11)12)199-151(244)112(73-91-75-171-77-176-91)195-131(224)92(160)72-90-39-30-29-31-40-90)132(225)177-86(19)128(221)182-97(45-36-64-173-156(165)166)133(226)178-88(21)129(222)184-103(51-58-119(211)212)141(234)191-101(49-56-116(162)208)143(236)196-107(67-78(5)6)146(239)180-89(22)130(223)183-102-50-57-118(210)172-63-35-33-44-95(181-127(220)87(20)179-134(227)100(190-140(102)233)48-55-115(161)207)139(232)202-114(76-206)153(246)200-113(74-117(163)209)152(245)189-98(46-37-65-174-157(167)168)136(229)186-96(43-32-34-62-159)138(231)197-108(68-79(7)8)147(240)187-94(42-28-24-2)135(228)193-106(54-61-122(217)218)145(238)205-125(85(18)26-4)155(248)204-124(126(164)219)84(17)25-3/h29-31,39-40,75,77-89,92-114,123-125,206H,23-28,32-38,41-74,76,159-160H2,1-22H3,(H2,161,207)(H2,162,208)(H2,163,209)(H2,164,219)(H,171,176)(H,172,210)(H,177,225)(H,178,226)(H,179,227)(H,180,239)(H,181,220)(H,182,221)(H,183,223)(H,184,222)(H,185,235)(H,186,229)(H,187,240)(H,188,241)(H,189,245)(H,190,233)(H,191,234)(H,192,230)(H,193,228)(H,194,242)(H,195,224)(H,196,236)(H,197,231)(H,198,243)(H,199,244)(H,200,246)(H,201,247)(H,202,232)(H,203,237)(H,204,248)(H,205,238)(H,211,212)(H,213,214)(H,215,216)(H,217,218)(H4,165,166,173)(H4,167,168,174)(H4,169,170,175)/t84-,85-,86+,87-,88+,89+,92?,93+,94+,95-,96+,97+,98+,99+,100+,101+,102+,103+,104+,105+,106+,107+,108+,109+,110+,111+,112+,113+,114+,123+,124+,125+/m1/s1
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n/an/a 2.82E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of acid sphingomyelinase in human HuH7 cell lysate using NBD-sphingomyelin as substrate after 30 mins by TLC based fluorescence assay

Eur J Med Chem 151: 389-400 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.065
BindingDB Entry DOI: 10.7270/Q21R6T2M
More data for this
Ligand-Target Pair
Sphingomyelin phosphodiesterase


(Homo sapiens)		BDBM50370122
PNG
(CHEMBL4172049)
Show SMILES CC(C)N1C(=N)\C(=C/c2nc(=O)c3ccccc3[nH]2)c2ccccc12
Show InChI InChI=1S/C20H18N4O/c1-12(2)24-17-10-6-4-7-13(17)15(19(24)21)11-18-22-16-9-5-3-8-14(16)20(25)23-18/h3-12,21H,1-2H3,(H,22,23,25)/b15-11-,21-19?
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n/an/a 3.16E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of acid sphingomyelinase in human HuH7 cell lysate using NBD-sphingomyelin as substrate after 30 mins by TLC based fluorescence assay

Eur J Med Chem 151: 389-400 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.065
BindingDB Entry DOI: 10.7270/Q21R6T2M
More data for this
Ligand-Target Pair
Sphingomyelin phosphodiesterase


(Homo sapiens)		BDBM55861
PNG
(5-Acetoxy-6-bromo-2-carbamimidoylsulfanylmethyl-1-...)
Show SMILES CCCCCCCCOC(=O)c1c(CSC(N)=N)n(C)c2cc(Br)c(OC(C)=O)cc12
Show InChI InChI=1S/C22H30BrN3O4S/c1-4-5-6-7-8-9-10-29-21(28)20-15-11-19(30-14(2)27)16(23)12-17(15)26(3)18(20)13-31-22(24)25/h11-12H,4-10,13H2,1-3H3,(H3,24,25)
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n/an/a 3.16E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of acid sphingomyelinase in human HuH7 cell lysate using NBD-sphingomyelin as substrate after 30 mins by TLC based fluorescence assay

Eur J Med Chem 151: 389-400 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.065
BindingDB Entry DOI: 10.7270/Q21R6T2M
More data for this
Ligand-Target Pair
Sphingomyelin phosphodiesterase


(Homo sapiens)		BDBM50370156
PNG
(CHEMBL4159912)
Show SMILES CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)cc1I
Show InChI InChI=1S/C25H29I2NO3/c1-4-7-11-22-24(17-10-8-9-12-21(17)31-22)25(29)18-15-20(27)23(16-19(18)26)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3
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n/an/a 3.98E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of acid sphingomyelinase in human HuH7 cell lysate using NBD-sphingomyelin as substrate after 30 mins by TLC based fluorescence assay

Eur J Med Chem 151: 389-400 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.065
BindingDB Entry DOI: 10.7270/Q21R6T2M
More data for this
Ligand-Target Pair
Sphingomyelin phosphodiesterase


(Homo sapiens)		BDBM50370148
PNG
(CHEMBL4159268)
Show SMILES COc1ccc(COc2cccc(c2)C(=O)NO)cc1
Show InChI InChI=1S/C15H15NO4/c1-19-13-7-5-11(6-8-13)10-20-14-4-2-3-12(9-14)15(17)16-18/h2-9,18H,10H2,1H3,(H,16,17)
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n/an/a 4.27E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of acid sphingomyelinase in human HuH7 cell lysate using NBD-sphingomyelin as substrate after 30 mins by TLC based fluorescence assay

Eur J Med Chem 151: 389-400 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.065
BindingDB Entry DOI: 10.7270/Q21R6T2M
More data for this
Ligand-Target Pair
Sphingomyelin phosphodiesterase


(Homo sapiens)		BDBM50370124
PNG
(CHEMBL4160651)
Show SMILES ONC(=O)c1cccc(OCc2ccc(cc2)C#N)c1
Show InChI InChI=1S/C15H12N2O3/c16-9-11-4-6-12(7-5-11)10-20-14-3-1-2-13(8-14)15(18)17-19/h1-8,19H,10H2,(H,17,18)
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n/an/a 5.29E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of acid sphingomyelinase in human HuH7 cell lysate using NBD-sphingomyelin as substrate after 30 mins by TLC based fluorescence assay

Eur J Med Chem 151: 389-400 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.065
BindingDB Entry DOI: 10.7270/Q21R6T2M
More data for this
Ligand-Target Pair
Sphingomyelin phosphodiesterase


(Homo sapiens)		BDBM50370065
PNG
(CHEMBL4168574)
Show SMILES ONC(=O)c1cccc(OCc2ccccc2)c1
Show InChI InChI=1S/C14H13NO3/c16-14(15-17)12-7-4-8-13(9-12)18-10-11-5-2-1-3-6-11/h1-9,17H,10H2,(H,15,16)
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n/an/a 6.04E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of acid sphingomyelinase in human HuH7 cell lysate using NBD-sphingomyelin as substrate after 30 mins by TLC based fluorescence assay

Eur J Med Chem 151: 389-400 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.065
BindingDB Entry DOI: 10.7270/Q21R6T2M
More data for this
Ligand-Target Pair
Sphingomyelin phosphodiesterase


(Homo sapiens)		BDBM50221660
PNG
(CHEMBL109045)
Show SMILES [#6]-[#8]-c1cc(-[#6](=O)-c2c(-[#8])cc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6])c2-[#8])c(-[#8])cc1-[#8]
Show InChI InChI=1S/C19H20O7/c1-9(2)4-5-10-12(20)8-15(23)17(18(10)24)19(25)11-6-16(26-3)14(22)7-13(11)21/h4,6-8,20-24H,5H2,1-3H3
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n/an/a 6.60E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of acid sphingomyelinase in human HuH7 cell lysate using NBD-sphingomyelin as substrate after 30 mins by TLC based fluorescence assay

Eur J Med Chem 151: 389-400 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.065
BindingDB Entry DOI: 10.7270/Q21R6T2M
More data for this
Ligand-Target Pair
Sphingomyelin phosphodiesterase


(Homo sapiens)		BDBM50370172
PNG
(CHEMBL4170563)
Show SMILES CCCCCCCC1Cc2cc(O)c(C(O)=O)c(O)c2C(C)O1
Show InChI InChI=1S/C18H26O5/c1-3-4-5-6-7-8-13-9-12-10-14(19)16(18(21)22)17(20)15(12)11(2)23-13/h10-11,13,19-20H,3-9H2,1-2H3,(H,21,22)
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n/an/a 6.87E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of acid sphingomyelinase in human HuH7 cell lysate using NBD-sphingomyelin as substrate after 30 mins by TLC based fluorescence assay

Eur J Med Chem 151: 389-400 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.065
BindingDB Entry DOI: 10.7270/Q21R6T2M
More data for this
Ligand-Target Pair
Sphingomyelin phosphodiesterase


(Homo sapiens)		BDBM50370177
PNG
(CHEMBL4163829)
Show SMILES CCCCCCCCCCOc1cc(ccc1OC)C(=O)NCCO
Show InChI InChI=1S/C20H33NO4/c1-3-4-5-6-7-8-9-10-15-25-19-16-17(11-12-18(19)24-2)20(23)21-13-14-22/h11-12,16,22H,3-10,13-15H2,1-2H3,(H,21,23)
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n/an/a 7.10E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of acid sphingomyelinase in human HuH7 cell lysate using NBD-sphingomyelin as substrate after 30 mins by TLC based fluorescence assay

Eur J Med Chem 151: 389-400 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.065
BindingDB Entry DOI: 10.7270/Q21R6T2M
More data for this
Ligand-Target Pair
Sphingomyelin phosphodiesterase


(Homo sapiens)		BDBM50370123
PNG
(CHEMBL4175958)
Show SMILES CCCCCCCCCCOc1cc(ccc1OC)C(=O)NCC(C)O
Show InChI InChI=1S/C21H35NO4/c1-4-5-6-7-8-9-10-11-14-26-20-15-18(12-13-19(20)25-3)21(24)22-16-17(2)23/h12-13,15,17,23H,4-11,14,16H2,1-3H3,(H,22,24)
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n/an/a 8.52E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of acid sphingomyelinase in human HuH7 cell lysate using NBD-sphingomyelin as substrate after 30 mins by TLC based fluorescence assay

Eur J Med Chem 151: 389-400 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.065
BindingDB Entry DOI: 10.7270/Q21R6T2M
More data for this
Ligand-Target Pair
Sphingomyelin phosphodiesterase


(Homo sapiens)		BDBM50370162
PNG
(CHEMBL3421823)
Show SMILES [#6]-[#8]-c1cc2oc3cc(-[#8]-[#6])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c3c(=O)c2c(-[#6]\[#6]=[#6](\[#6])-[#6])c1-[#8]
Show InChI InChI=1S/C63H113N11O12/c1-25-28-29-41(15)53(76)52-57(80)66-44(27-3)59(82)68(18)34-49(75)69(19)45(30-35(4)5)56(79)67-50(39(12)13)62(85)70(20)46(31-36(6)7)55(78)64-42(16)54(77)65-43(17)58(81)71(21)47(32-37(8)9)60(83)72(22)48(33-38(10)11)61(84)73(23)51(40(14)26-2)63(86)74(52)24/h25,28,35-48,50-53,76H,26-27,29-34H2,1-24H3,(H,64,78)(H,65,77)(H,66,80)(H,67,79)/b28-25+/t40-,41-,42?,43-,44?,45-,46-,47+,48+,50-,51-,52+,53-/m1/s1
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n/an/a 1.70E+5n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of acid sphingomyelinase in human HuH7 cell lysate using NBD-sphingomyelin as substrate after 30 mins by TLC based fluorescence assay

Eur J Med Chem 151: 389-400 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.065
BindingDB Entry DOI: 10.7270/Q21R6T2M
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%