Compile Data Set for Download or QSAR

Found 270 hits Enz. Inhib. hit(s) with Target = 'Neutral sphingomyelinase'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Sphingomyelin phosphodiesterase 3 (Homo sapiens)	BDBM50521402 (CHEMBL4471834) Show SMILES CCOc1cc(cc(OCC)c1O)-c1nc(c([nH]1)-c1cccs1)-c1ccccc1 Show InChI InChI=1S/C23H22N2O3S/c1-3-27-17-13-16(14-18(22(17)26)28-4-2)23-24-20(15-9-6-5-7-10-15)21(25-23)19-11-8-12-29-19/h5-14,26H,3-4H2,1-2H3,(H,24,25)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University Curated by ChEMBL					Assay Description Inhibition of human recombinant nSMase expressed in HEK293 cells using sphingomyelin as substrate by alkaline phosphatase, choline oxidase and horser...				Eur J Med Chem 170: 276-289 (2019) Article DOI: 10.1016/j.ejmech.2019.03.015 BindingDB Entry DOI: 10.7270/Q27H1NZR
					More data for this Ligand-Target Pair
Sphingomyelin phosphodiesterase 3 (Homo sapiens)	BDBM50521420 (CHEMBL4467223) Show SMILES COc1ccc(cc1)-c1nc([nH]c1-c1ccc(OC)cc1)-c1cc(OC)c(O)c(OC)c1 Show InChI InChI=1S/C25H24N2O5/c1-29-18-9-5-15(6-10-18)22-23(16-7-11-19(30-2)12-8-16)27-25(26-22)17-13-20(31-3)24(28)21(14-17)32-4/h5-14,28H,1-4H3,(H,26,27)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University Curated by ChEMBL					Assay Description Inhibition of human recombinant nSMase expressed in HEK293 cells using sphingomyelin as substrate by alkaline phosphatase, choline oxidase and horser...				Eur J Med Chem 170: 276-289 (2019) Article DOI: 10.1016/j.ejmech.2019.03.015 BindingDB Entry DOI: 10.7270/Q27H1NZR
					More data for this Ligand-Target Pair
Sphingomyelin phosphodiesterase 3 (Homo sapiens)	BDBM50521425 (CHEMBL4449305) Show SMILES COc1cc(cc(OC)c1O)-c1nc(-c2cccs2)c([nH]1)-c1cccs1 Show InChI InChI=1S/C19H16N2O3S2/c1-23-12-9-11(10-13(24-2)18(12)22)19-20-16(14-5-3-7-25-14)17(21-19)15-6-4-8-26-15/h3-10,22H,1-2H3,(H,20,21)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University Curated by ChEMBL					Assay Description Inhibition of human recombinant nSMase expressed in HEK293 cells using sphingomyelin as substrate by alkaline phosphatase, choline oxidase and horser...				Eur J Med Chem 170: 276-289 (2019) Article DOI: 10.1016/j.ejmech.2019.03.015 BindingDB Entry DOI: 10.7270/Q27H1NZR
					More data for this Ligand-Target Pair
Sphingomyelin phosphodiesterase 3 (Homo sapiens)	BDBM67506 (4-(4,5-diphenyl-1,3-dihydroimidazol-2-ylidene)-2,6...) Show SMILES COc1cc(cc(OC)c1O)-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C23H20N2O3/c1-27-18-13-17(14-19(28-2)22(18)26)23-24-20(15-9-5-3-6-10-15)21(25-23)16-11-7-4-8-12-16/h3-14,26H,1-2H3,(H,24,25)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University Curated by ChEMBL					Assay Description Inhibition of human recombinant nSMase expressed in HEK293 cells using sphingomyelin as substrate by alkaline phosphatase, choline oxidase and horser...				Eur J Med Chem 170: 276-289 (2019) Article DOI: 10.1016/j.ejmech.2019.03.015 BindingDB Entry DOI: 10.7270/Q27H1NZR
					More data for this Ligand-Target Pair
Sphingomyelin phosphodiesterase 3 (Homo sapiens)	BDBM50521405 (CHEMBL4551018) Show SMILES COc1cc(cc(OC)c1O)-c1nc(C)c([nH]1)-c1ccccc1 Show InChI InChI=1S/C18H18N2O3/c1-11-16(12-7-5-4-6-8-12)20-18(19-11)13-9-14(22-2)17(21)15(10-13)23-3/h4-10,21H,1-3H3,(H,19,20)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University Curated by ChEMBL					Assay Description Inhibition of human recombinant nSMase expressed in HEK293 cells using sphingomyelin as substrate by alkaline phosphatase, choline oxidase and horser...				Eur J Med Chem 170: 276-289 (2019) Article DOI: 10.1016/j.ejmech.2019.03.015 BindingDB Entry DOI: 10.7270/Q27H1NZR
					More data for this Ligand-Target Pair
Sphingomyelin phosphodiesterase 3 (Homo sapiens)	BDBM50521404 (CHEMBL4449307) Show SMILES COc1cc(cc(OC)c1O)-c1nc(c(C)[nH]1)-c1cccs1 Show InChI InChI=1S/C16H16N2O3S/c1-9-14(13-5-4-6-22-13)18-16(17-9)10-7-11(20-2)15(19)12(8-10)21-3/h4-8,19H,1-3H3,(H,17,18)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University Curated by ChEMBL					Assay Description Inhibition of human recombinant nSMase expressed in HEK293 cells using sphingomyelin as substrate by alkaline phosphatase, choline oxidase and horser...				Eur J Med Chem 170: 276-289 (2019) Article DOI: 10.1016/j.ejmech.2019.03.015 BindingDB Entry DOI: 10.7270/Q27H1NZR
					More data for this Ligand-Target Pair
Sphingomyelin phosphodiesterase 3 (Homo sapiens)	BDBM50521419 (CHEMBL1342201) Show SMILES COc1cc(cc(OC)c1O)-c1nc(c([nH]1)-c1cccs1)-c1ccccc1 Show InChI InChI=1S/C21H18N2O3S/c1-25-15-11-14(12-16(26-2)20(15)24)21-22-18(13-7-4-3-5-8-13)19(23-21)17-9-6-10-27-17/h3-12,24H,1-2H3,(H,22,23)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University Curated by ChEMBL					Assay Description Inhibition of human recombinant nSMase expressed in HEK293 cells using sphingomyelin as substrate by alkaline phosphatase, choline oxidase and horser...				Eur J Med Chem 170: 276-289 (2019) Article DOI: 10.1016/j.ejmech.2019.03.015 BindingDB Entry DOI: 10.7270/Q27H1NZR
					More data for this Ligand-Target Pair
Sphingomyelin phosphodiesterase 3 (Homo sapiens)	BDBM50521419 (CHEMBL1342201) Show SMILES COc1cc(cc(OC)c1O)-c1nc(c([nH]1)-c1cccs1)-c1ccccc1 Show InChI InChI=1S/C21H18N2O3S/c1-25-15-11-14(12-16(26-2)20(15)24)21-22-18(13-7-4-3-5-8-13)19(23-21)17-9-6-10-27-17/h3-12,24H,1-2H3,(H,22,23)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Czech Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human recombinant full-length nSMase expressed in HEK293 cells using sphingomyelin as substrate measured after 1 hr by alkaline phospha...				J Med Chem 63: 6028-6056 (2020) Article DOI: 10.1021/acs.jmedchem.0c00278 BindingDB Entry DOI: 10.7270/Q2862M0C
					More data for this Ligand-Target Pair
Sphingomyelin phosphodiesterase 3 (Homo sapiens)	BDBM50521413 (CHEMBL4565746) Show SMILES CC(C)Oc1cc(cc(OC(C)C)c1O)-c1nc(c([nH]1)-c1cccs1)-c1ccccc1 Show InChI InChI=1S/C25H26N2O3S/c1-15(2)29-19-13-18(14-20(24(19)28)30-16(3)4)25-26-22(17-9-6-5-7-10-17)23(27-25)21-11-8-12-31-21/h5-16,28H,1-4H3,(H,26,27)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University Curated by ChEMBL					Assay Description Inhibition of human recombinant nSMase expressed in HEK293 cells using sphingomyelin as substrate by alkaline phosphatase, choline oxidase and horser...				Eur J Med Chem 170: 276-289 (2019) Article DOI: 10.1016/j.ejmech.2019.03.015 BindingDB Entry DOI: 10.7270/Q27H1NZR
					More data for this Ligand-Target Pair
Sphingomyelin phosphodiesterase 3 (Homo sapiens)	BDBM50521406 (CHEMBL4458407) Show SMILES COc1cc(cc(OC)c1O)-c1nc(-c2ccco2)c([nH]1)-c1ccco1 Show InChI InChI=1S/C19H16N2O5/c1-23-14-9-11(10-15(24-2)18(14)22)19-20-16(12-5-3-7-25-12)17(21-19)13-6-4-8-26-13/h3-10,22H,1-2H3,(H,20,21)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University Curated by ChEMBL					Assay Description Inhibition of human recombinant nSMase expressed in HEK293 cells using sphingomyelin as substrate by alkaline phosphatase, choline oxidase and horser...				Eur J Med Chem 170: 276-289 (2019) Article DOI: 10.1016/j.ejmech.2019.03.015 BindingDB Entry DOI: 10.7270/Q27H1NZR
					More data for this Ligand-Target Pair
Sphingomyelin phosphodiesterase 3 (Homo sapiens)	BDBM50540386 (CHEMBL4647644 | US11427590, Entry 44) Show SMILES COc1ccc(cc1OC)-c1c(C)nc2c(cc(C)nn12)N1CCCC1 Show InChI InChI=1S/C20H24N4O2/c1-13-11-16(23-9-5-6-10-23)20-21-14(2)19(24(20)22-13)15-7-8-17(25-3)18(12-15)26-4/h7-8,11-12H,5-6,9-10H2,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The fluorescence based assay to monitor the activity of human nSMase2 in the presence or absence of potential inhibitors has been described recently....				Citation and Details BindingDB Entry DOI: 10.7270/Q2WM1HN0
					More data for this Ligand-Target Pair
Sphingomyelin phosphodiesterase 3 (Homo sapiens)	BDBM570145 (US11427590, Entry 62) Show SMILES COc1ccc(cc1OC)-c1c(nc2c(cc(C)nn12)N1CC[C@H](C1)NC(C)=O)-c1ccc(C)cc1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The fluorescence based assay to monitor the activity of human nSMase2 in the presence or absence of potential inhibitors has been described recently....				Citation and Details BindingDB Entry DOI: 10.7270/Q2WM1HN0
					More data for this Ligand-Target Pair
Sphingomyelin phosphodiesterase 3 (Homo sapiens)	BDBM50521408 (CHEMBL4468906) Show SMILES CCCCc1[nH]c(nc1C)-c1cc(OC)c(O)c(OC)c1 Show InChI InChI=1S/C16H22N2O3/c1-5-6-7-12-10(2)17-16(18-12)11-8-13(20-3)15(19)14(9-11)21-4/h8-9,19H,5-7H2,1-4H3,(H,17,18)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University Curated by ChEMBL					Assay Description Inhibition of human recombinant nSMase expressed in HEK293 cells using sphingomyelin as substrate by alkaline phosphatase, choline oxidase and horser...				Eur J Med Chem 170: 276-289 (2019) Article DOI: 10.1016/j.ejmech.2019.03.015 BindingDB Entry DOI: 10.7270/Q27H1NZR
					More data for this Ligand-Target Pair
Sphingomyelin phosphodiesterase 3 (Homo sapiens)	BDBM50521428 (CHEMBL4471548) Show SMILES COc1cc(cc(OC)c1O)-c1nc(c([nH]1)C(C)C)-c1ccccc1 Show InChI InChI=1S/C20H22N2O3/c1-12(2)17-18(13-8-6-5-7-9-13)22-20(21-17)14-10-15(24-3)19(23)16(11-14)25-4/h5-12,23H,1-4H3,(H,21,22)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University Curated by ChEMBL					Assay Description Inhibition of human recombinant nSMase expressed in HEK293 cells using sphingomyelin as substrate by alkaline phosphatase, choline oxidase and horser...				Eur J Med Chem 170: 276-289 (2019) Article DOI: 10.1016/j.ejmech.2019.03.015 BindingDB Entry DOI: 10.7270/Q27H1NZR
					More data for this Ligand-Target Pair
Sphingomyelin phosphodiesterase 3 (Homo sapiens)	BDBM50521399 (CHEMBL4588691) Show SMILES COc1cc(cc(OC)c1O)-c1nc(c([nH]1)-c1ccc(C)cc1)-c1ccc(C)cc1 Show InChI InChI=1S/C25H24N2O3/c1-15-5-9-17(10-6-15)22-23(18-11-7-16(2)8-12-18)27-25(26-22)19-13-20(29-3)24(28)21(14-19)30-4/h5-14,28H,1-4H3,(H,26,27)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University Curated by ChEMBL					Assay Description Inhibition of human recombinant nSMase expressed in HEK293 cells using sphingomyelin as substrate by alkaline phosphatase, choline oxidase and horser...				Eur J Med Chem 170: 276-289 (2019) Article DOI: 10.1016/j.ejmech.2019.03.015 BindingDB Entry DOI: 10.7270/Q27H1NZR
					More data for this Ligand-Target Pair
Sphingomyelin phosphodiesterase 3 (Homo sapiens)	BDBM50521407 (CHEMBL4577390) Show SMILES COc1cc(cc(OC)c1O)-c1ncc([nH]1)-c1ccccc1 Show InChI InChI=1S/C17H16N2O3/c1-21-14-8-12(9-15(22-2)16(14)20)17-18-10-13(19-17)11-6-4-3-5-7-11/h3-10,20H,1-2H3,(H,18,19)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University Curated by ChEMBL					Assay Description Inhibition of human recombinant nSMase expressed in HEK293 cells using sphingomyelin as substrate by alkaline phosphatase, choline oxidase and horser...				Eur J Med Chem 170: 276-289 (2019) Article DOI: 10.1016/j.ejmech.2019.03.015 BindingDB Entry DOI: 10.7270/Q27H1NZR
					More data for this Ligand-Target Pair
Sphingomyelin phosphodiesterase 3 (Homo sapiens)	BDBM50521427 (CHEMBL4533205) Show SMILES Oc1c(OCC(F)(F)F)cc(cc1OCC(F)(F)F)-c1nc(c([nH]1)-c1cccs1)-c1ccccc1 Show InChI InChI=1S/C23H16F6N2O3S/c24-22(25,26)11-33-15-9-14(10-16(20(15)32)34-12-23(27,28)29)21-30-18(13-5-2-1-3-6-13)19(31-21)17-7-4-8-35-17/h1-10,32H,11-12H2,(H,30,31)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University Curated by ChEMBL					Assay Description Inhibition of human recombinant nSMase expressed in HEK293 cells using sphingomyelin as substrate by alkaline phosphatase, choline oxidase and horser...				Eur J Med Chem 170: 276-289 (2019) Article DOI: 10.1016/j.ejmech.2019.03.015 BindingDB Entry DOI: 10.7270/Q27H1NZR
					More data for this Ligand-Target Pair
Sphingomyelin phosphodiesterase 3 (Homo sapiens)	BDBM50540386 (CHEMBL4647644 | US11427590, Entry 44) Show SMILES COc1ccc(cc1OC)-c1c(C)nc2c(cc(C)nn12)N1CCCC1 Show InChI InChI=1S/C20H24N4O2/c1-13-11-16(23-9-5-6-10-23)20-21-14(2)19(24(20)22-13)15-7-8-17(25-3)18(12-15)26-4/h7-8,11-12H,5-6,9-10H2,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Czech Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human recombinant full-length nSMase expressed in HEK293 cells using sphingomyelin as substrate measured after 1 hr by alkaline phospha...				J Med Chem 63: 6028-6056 (2020) Article DOI: 10.1021/acs.jmedchem.0c00278 BindingDB Entry DOI: 10.7270/Q2862M0C
					More data for this Ligand-Target Pair
Sphingomyelin phosphodiesterase 3 (Homo sapiens)	BDBM50540378 (CHEMBL4634085 | US11427590, Entry 22) Show SMILES COc1ccc(cc1OC)-c1c(C)nc2c(cc(C)nn12)N1CC[C@H](C1)NS(=O)(=O)c1ccc(C)cc1 |r| Show InChI InChI=1S/C27H31N5O4S/c1-17-6-9-22(10-7-17)37(33,34)30-21-12-13-31(16-21)23-14-18(2)29-32-26(19(3)28-27(23)32)20-8-11-24(35-4)25(15-20)36-5/h6-11,14-15,21,30H,12-13,16H2,1-5H3/t21-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The fluorescence based assay to monitor the activity of human nSMase2 in the presence or absence of potential inhibitors has been described recently....				Citation and Details BindingDB Entry DOI: 10.7270/Q2WM1HN0
					More data for this Ligand-Target Pair
Sphingomyelin phosphodiesterase 3 (Homo sapiens)	BDBM50521421 (CHEMBL4514045) Show SMILES COc1cc(cc(OC)c1O)-c1nc(C(C)C)c([nH]1)C(C)C Show InChI InChI=1S/C17H24N2O3/c1-9(2)14-15(10(3)4)19-17(18-14)11-7-12(21-5)16(20)13(8-11)22-6/h7-10,20H,1-6H3,(H,18,19)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University Curated by ChEMBL					Assay Description Inhibition of human recombinant nSMase expressed in HEK293 cells using sphingomyelin as substrate by alkaline phosphatase, choline oxidase and horser...				Eur J Med Chem 170: 276-289 (2019) Article DOI: 10.1016/j.ejmech.2019.03.015 BindingDB Entry DOI: 10.7270/Q27H1NZR
					More data for this Ligand-Target Pair
Sphingomyelin phosphodiesterase 3 (Homo sapiens)	BDBM50540378 (CHEMBL4634085 | US11427590, Entry 22) Show SMILES COc1ccc(cc1OC)-c1c(C)nc2c(cc(C)nn12)N1CC[C@H](C1)NS(=O)(=O)c1ccc(C)cc1 |r| Show InChI InChI=1S/C27H31N5O4S/c1-17-6-9-22(10-7-17)37(33,34)30-21-12-13-31(16-21)23-14-18(2)29-32-26(19(3)28-27(23)32)20-8-11-24(35-4)25(15-20)36-5/h6-11,14-15,21,30H,12-13,16H2,1-5H3/t21-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Czech Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human recombinant full-length nSMase expressed in HEK293 cells using sphingomyelin as substrate measured after 1 hr by alkaline phospha...				J Med Chem 63: 6028-6056 (2020) Article DOI: 10.1021/acs.jmedchem.0c00278 BindingDB Entry DOI: 10.7270/Q2862M0C
					More data for this Ligand-Target Pair
Sphingomyelin phosphodiesterase 3 (Homo sapiens)	BDBM50540366 (CHEMBL4635335 | US11427590, Entry 37) Show SMILES COc1ccc(cc1OC)-c1c(C)nc2c(cc(C)nn12)N1CC[C@H](C1)NC(=O)C(F)(F)c1ccccc1 |r| Show InChI InChI=1S/C28H29F2N5O3/c1-17-14-22(34-13-12-21(16-34)32-27(36)28(29,30)20-8-6-5-7-9-20)26-31-18(2)25(35(26)33-17)19-10-11-23(37-3)24(15-19)38-4/h5-11,14-15,21H,12-13,16H2,1-4H3,(H,32,36)/t21-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The fluorescence based assay to monitor the activity of human nSMase2 in the presence or absence of potential inhibitors has been described recently....				Citation and Details BindingDB Entry DOI: 10.7270/Q2WM1HN0
					More data for this Ligand-Target Pair
Sphingomyelin phosphodiesterase 3 (Homo sapiens)	BDBM50540383 (CHEMBL4635273 | US11427590, Entry 25) Show SMILES COc1ccc(cc1OC)-c1c(C)nc2c(cc(C)nn12)N1CC[C@H](C1)NS(=O)(=O)c1cccs1 |r| Show InChI InChI=1S/C24H27N5O4S2/c1-15-12-19(28-10-9-18(14-28)27-35(30,31)22-6-5-11-34-22)24-25-16(2)23(29(24)26-15)17-7-8-20(32-3)21(13-17)33-4/h5-8,11-13,18,27H,9-10,14H2,1-4H3/t18-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Czech Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human recombinant full-length nSMase expressed in HEK293 cells using sphingomyelin as substrate measured after 1 hr by alkaline phospha...				J Med Chem 63: 6028-6056 (2020) Article DOI: 10.1021/acs.jmedchem.0c00278 BindingDB Entry DOI: 10.7270/Q2862M0C
					More data for this Ligand-Target Pair
Sphingomyelin phosphodiesterase 3 (Homo sapiens)	BDBM570104 (US11427590, Entry 21) Show SMILES COc1ccc(cc1F)-c1c(C)nc2c(cc(C)nn12)N1CC[C@H](C1)NS(C)(=O)=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The fluorescence based assay to monitor the activity of human nSMase2 in the presence or absence of potential inhibitors has been described recently....				Citation and Details BindingDB Entry DOI: 10.7270/Q2WM1HN0
					More data for this Ligand-Target Pair
Sphingomyelin phosphodiesterase 3 (Homo sapiens)	BDBM50540363 (CHEMBL4643888 | US11427590, Entry 32) Show SMILES CCCCCC(=O)N[C@@H]1CCN(C1)c1cc(C)nn2c(c(C)nc12)-c1ccc(OC)c(OC)c1 |r| Show InChI InChI=1S/C26H35N5O3/c1-6-7-8-9-24(32)28-20-12-13-30(16-20)21-14-17(2)29-31-25(18(3)27-26(21)31)19-10-11-22(33-4)23(15-19)34-5/h10-11,14-15,20H,6-9,12-13,16H2,1-5H3,(H,28,32)/t20-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Czech Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human recombinant full-length nSMase expressed in HEK293 cells using sphingomyelin as substrate measured after 1 hr by alkaline phospha...				J Med Chem 63: 6028-6056 (2020) Article DOI: 10.1021/acs.jmedchem.0c00278 BindingDB Entry DOI: 10.7270/Q2862M0C
					More data for this Ligand-Target Pair
Sphingomyelin phosphodiesterase 3 (Homo sapiens)	BDBM50540363 (CHEMBL4643888 | US11427590, Entry 32) Show SMILES CCCCCC(=O)N[C@@H]1CCN(C1)c1cc(C)nn2c(c(C)nc12)-c1ccc(OC)c(OC)c1 |r| Show InChI InChI=1S/C26H35N5O3/c1-6-7-8-9-24(32)28-20-12-13-30(16-20)21-14-17(2)29-31-25(18(3)27-26(21)31)19-10-11-22(33-4)23(15-19)34-5/h10-11,14-15,20H,6-9,12-13,16H2,1-5H3,(H,28,32)/t20-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The fluorescence based assay to monitor the activity of human nSMase2 in the presence or absence of potential inhibitors has been described recently....				Citation and Details BindingDB Entry DOI: 10.7270/Q2WM1HN0
					More data for this Ligand-Target Pair
Sphingomyelin phosphodiesterase 3 (Homo sapiens)	BDBM50540383 (CHEMBL4635273 | US11427590, Entry 25) Show SMILES COc1ccc(cc1OC)-c1c(C)nc2c(cc(C)nn12)N1CC[C@H](C1)NS(=O)(=O)c1cccs1 |r| Show InChI InChI=1S/C24H27N5O4S2/c1-15-12-19(28-10-9-18(14-28)27-35(30,31)22-6-5-11-34-22)24-25-16(2)23(29(24)26-15)17-7-8-20(32-3)21(13-17)33-4/h5-8,11-13,18,27H,9-10,14H2,1-4H3/t18-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The fluorescence based assay to monitor the activity of human nSMase2 in the presence or absence of potential inhibitors has been described recently....				Citation and Details BindingDB Entry DOI: 10.7270/Q2WM1HN0
					More data for this Ligand-Target Pair
Sphingomyelin phosphodiesterase 3 (Homo sapiens)	BDBM50540366 (CHEMBL4635335 | US11427590, Entry 37) Show SMILES COc1ccc(cc1OC)-c1c(C)nc2c(cc(C)nn12)N1CC[C@H](C1)NC(=O)C(F)(F)c1ccccc1 |r| Show InChI InChI=1S/C28H29F2N5O3/c1-17-14-22(34-13-12-21(16-34)32-27(36)28(29,30)20-8-6-5-7-9-20)26-31-18(2)25(35(26)33-17)19-10-11-23(37-3)24(15-19)38-4/h5-11,14-15,21H,12-13,16H2,1-4H3,(H,32,36)/t21-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Czech Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human recombinant full-length nSMase expressed in HEK293 cells using sphingomyelin as substrate measured after 1 hr by alkaline phospha...				J Med Chem 63: 6028-6056 (2020) Article DOI: 10.1021/acs.jmedchem.0c00278 BindingDB Entry DOI: 10.7270/Q2862M0C
					More data for this Ligand-Target Pair
Sphingomyelin phosphodiesterase 3 (Homo sapiens)	BDBM50540376 (CHEMBL4644091 | US11427590, Entry 24) Show SMILES COc1ccc(cc1OC)-c1c(C)nc2c(cc(C)nn12)N1CC[C@H](C1)NS(=O)(=O)C1CC1 |r| Show InChI InChI=1S/C23H29N5O4S/c1-14-11-19(27-10-9-17(13-27)26-33(29,30)18-6-7-18)23-24-15(2)22(28(23)25-14)16-5-8-20(31-3)21(12-16)32-4/h5,8,11-12,17-18,26H,6-7,9-10,13H2,1-4H3/t17-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The fluorescence based assay to monitor the activity of human nSMase2 in the presence or absence of potential inhibitors has been described recently....				Citation and Details BindingDB Entry DOI: 10.7270/Q2WM1HN0
					More data for this Ligand-Target Pair
Sphingomyelin phosphodiesterase 3 (Homo sapiens)	BDBM50540376 (CHEMBL4644091 | US11427590, Entry 24) Show SMILES COc1ccc(cc1OC)-c1c(C)nc2c(cc(C)nn12)N1CC[C@H](C1)NS(=O)(=O)C1CC1 |r| Show InChI InChI=1S/C23H29N5O4S/c1-14-11-19(27-10-9-17(13-27)26-33(29,30)18-6-7-18)23-24-15(2)22(28(23)25-14)16-5-8-20(31-3)21(12-16)32-4/h5,8,11-12,17-18,26H,6-7,9-10,13H2,1-4H3/t17-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Czech Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human recombinant full-length nSMase expressed in HEK293 cells using sphingomyelin as substrate measured after 1 hr by alkaline phospha...				J Med Chem 63: 6028-6056 (2020) Article DOI: 10.1021/acs.jmedchem.0c00278 BindingDB Entry DOI: 10.7270/Q2862M0C
					More data for this Ligand-Target Pair
Sphingomyelin phosphodiesterase 3 (Homo sapiens)	BDBM50521430 (CHEMBL4573101) Show SMILES CCc1nc([nH]c1CC)-c1cc(OC)c(O)c(OC)c1 Show InChI InChI=1S/C15H20N2O3/c1-5-10-11(6-2)17-15(16-10)9-7-12(19-3)14(18)13(8-9)20-4/h7-8,18H,5-6H2,1-4H3,(H,16,17)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University Curated by ChEMBL					Assay Description Inhibition of human recombinant nSMase expressed in HEK293 cells using sphingomyelin as substrate by alkaline phosphatase, choline oxidase and horser...				Eur J Med Chem 170: 276-289 (2019) Article DOI: 10.1016/j.ejmech.2019.03.015 BindingDB Entry DOI: 10.7270/Q27H1NZR
					More data for this Ligand-Target Pair
Sphingomyelin phosphodiesterase 3 (Homo sapiens)	BDBM50521412 (CHEMBL4540577) Show SMILES Oc1c(OC2CCCC2)cc(cc1OC1CCCC1)-c1nc(c([nH]1)-c1cccs1)-c1ccccc1 Show InChI InChI=1S/C29H30N2O3S/c32-28-23(33-21-11-4-5-12-21)17-20(18-24(28)34-22-13-6-7-14-22)29-30-26(19-9-2-1-3-10-19)27(31-29)25-15-8-16-35-25/h1-3,8-10,15-18,21-22,32H,4-7,11-14H2,(H,30,31)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University Curated by ChEMBL					Assay Description Inhibition of human recombinant nSMase expressed in HEK293 cells using sphingomyelin as substrate by alkaline phosphatase, choline oxidase and horser...				Eur J Med Chem 170: 276-289 (2019) Article DOI: 10.1016/j.ejmech.2019.03.015 BindingDB Entry DOI: 10.7270/Q27H1NZR
					More data for this Ligand-Target Pair
Sphingomyelin phosphodiesterase 3 (Homo sapiens)	BDBM50521429 (CHEMBL4436316) Show SMILES COc1cc(cc(OC)c1O)-c1nc(c[nH]1)-c1ccc(C)cc1 Show InChI InChI=1S/C18H18N2O3/c1-11-4-6-12(7-5-11)14-10-19-18(20-14)13-8-15(22-2)17(21)16(9-13)23-3/h4-10,21H,1-3H3,(H,19,20)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University Curated by ChEMBL					Assay Description Inhibition of human recombinant nSMase expressed in HEK293 cells using sphingomyelin as substrate by alkaline phosphatase, choline oxidase and horser...				Eur J Med Chem 170: 276-289 (2019) Article DOI: 10.1016/j.ejmech.2019.03.015 BindingDB Entry DOI: 10.7270/Q27H1NZR
					More data for this Ligand-Target Pair
Sphingomyelin phosphodiesterase 3 (Homo sapiens)	BDBM50540365 (CHEMBL4633254 | US11427590, Entry 34) Show SMILES COc1ccc(cc1OC)-c1c(C)nc2c(cc(C)nn12)N1CC[C@H](C1)NC(=O)COc1ccccc1 |r| Show InChI InChI=1S/C28H31N5O4/c1-18-14-23(32-13-12-21(16-32)30-26(34)17-37-22-8-6-5-7-9-22)28-29-19(2)27(33(28)31-18)20-10-11-24(35-3)25(15-20)36-4/h5-11,14-15,21H,12-13,16-17H2,1-4H3,(H,30,34)/t21-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The fluorescence based assay to monitor the activity of human nSMase2 in the presence or absence of potential inhibitors has been described recently....				Citation and Details BindingDB Entry DOI: 10.7270/Q2WM1HN0
					More data for this Ligand-Target Pair
Sphingomyelin phosphodiesterase 3 (Homo sapiens)	BDBM50540381 (CHEMBL4632415 | US11427590, Entry 30) Show SMILES COc1ccc(cc1OC)-c1c(C)nc2c(cc(C)nn12)N1CC[C@H](C1)NS(=O)(=O)c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C27H28F3N5O4S/c1-16-13-22(26-31-17(2)25(35(26)32-16)18-5-10-23(38-3)24(14-18)39-4)34-12-11-20(15-34)33-40(36,37)21-8-6-19(7-9-21)27(28,29)30/h5-10,13-14,20,33H,11-12,15H2,1-4H3/t20-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The fluorescence based assay to monitor the activity of human nSMase2 in the presence or absence of potential inhibitors has been described recently....				Citation and Details BindingDB Entry DOI: 10.7270/Q2WM1HN0
					More data for this Ligand-Target Pair
Sphingomyelin phosphodiesterase 3 (Homo sapiens)	BDBM50540349 (CHEMBL4648675 | US11427590, Entry 9) Show SMILES CSc1ccc(cc1)-c1c(C)nc2c(cc(C)nn12)N1CC[C@H](C1)NC(C)=O |r| Show InChI InChI=1S/C21H25N5OS/c1-13-11-19(25-10-9-17(12-25)23-15(3)27)21-22-14(2)20(26(21)24-13)16-5-7-18(28-4)8-6-16/h5-8,11,17H,9-10,12H2,1-4H3,(H,23,27)/t17-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The fluorescence based assay to monitor the activity of human nSMase2 in the presence or absence of potential inhibitors has been described recently....				Citation and Details BindingDB Entry DOI: 10.7270/Q2WM1HN0
					More data for this Ligand-Target Pair
Sphingomyelin phosphodiesterase 3 (Homo sapiens)	BDBM50540349 (CHEMBL4648675 | US11427590, Entry 9) Show SMILES CSc1ccc(cc1)-c1c(C)nc2c(cc(C)nn12)N1CC[C@H](C1)NC(C)=O |r| Show InChI InChI=1S/C21H25N5OS/c1-13-11-19(25-10-9-17(12-25)23-15(3)27)21-22-14(2)20(26(21)24-13)16-5-7-18(28-4)8-6-16/h5-8,11,17H,9-10,12H2,1-4H3,(H,23,27)/t17-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Czech Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human recombinant full-length nSMase expressed in HEK293 cells using sphingomyelin as substrate measured after 1 hr by alkaline phospha...				J Med Chem 63: 6028-6056 (2020) Article DOI: 10.1021/acs.jmedchem.0c00278 BindingDB Entry DOI: 10.7270/Q2862M0C
					More data for this Ligand-Target Pair
Sphingomyelin phosphodiesterase 3 (Homo sapiens)	BDBM50540372 (CHEMBL4648184 | US11427590, Entry 42) Show SMILES COc1ccc(cc1OC)-c1c(C)nc2c(cc(C)nn12)N1CC[C@H](C1)NC(=O)Oc1cccc(C)c1 |r| Show InChI InChI=1S/C28H31N5O4/c1-17-7-6-8-22(13-17)37-28(34)30-21-11-12-32(16-21)23-14-18(2)31-33-26(19(3)29-27(23)33)20-9-10-24(35-4)25(15-20)36-5/h6-10,13-15,21H,11-12,16H2,1-5H3,(H,30,34)/t21-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The fluorescence based assay to monitor the activity of human nSMase2 in the presence or absence of potential inhibitors has been described recently....				Citation and Details BindingDB Entry DOI: 10.7270/Q2WM1HN0
					More data for this Ligand-Target Pair
Sphingomyelin phosphodiesterase 3 (Homo sapiens)	BDBM50540356 (CHEMBL4632464 | US11427590, Entry 17) Show SMILES CC(=O)N[C@@H]1CCN(C1)c1cc(C)nn2c(c(C)nc12)-c1ccc(OC(F)(F)F)cc1 |r| Show InChI InChI=1S/C21H22F3N5O2/c1-12-10-18(28-9-8-16(11-28)26-14(3)30)20-25-13(2)19(29(20)27-12)15-4-6-17(7-5-15)31-21(22,23)24/h4-7,10,16H,8-9,11H2,1-3H3,(H,26,30)/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Czech Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human recombinant full-length nSMase expressed in HEK293 cells using sphingomyelin as substrate measured after 1 hr by alkaline phospha...				J Med Chem 63: 6028-6056 (2020) Article DOI: 10.1021/acs.jmedchem.0c00278 BindingDB Entry DOI: 10.7270/Q2862M0C
					More data for this Ligand-Target Pair
Sphingomyelin phosphodiesterase 3 (Homo sapiens)	BDBM50540356 (CHEMBL4632464 | US11427590, Entry 17) Show SMILES CC(=O)N[C@@H]1CCN(C1)c1cc(C)nn2c(c(C)nc12)-c1ccc(OC(F)(F)F)cc1 |r| Show InChI InChI=1S/C21H22F3N5O2/c1-12-10-18(28-9-8-16(11-28)26-14(3)30)20-25-13(2)19(29(20)27-12)15-4-6-17(7-5-15)31-21(22,23)24/h4-7,10,16H,8-9,11H2,1-3H3,(H,26,30)/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The fluorescence based assay to monitor the activity of human nSMase2 in the presence or absence of potential inhibitors has been described recently....				Citation and Details BindingDB Entry DOI: 10.7270/Q2WM1HN0
					More data for this Ligand-Target Pair
Sphingomyelin phosphodiesterase 3 (Homo sapiens)	BDBM50540369 (CHEMBL4632713 | US11427590, Entry 19) Show SMILES COc1ccc(cc1OC)-c1c(C)nc2c(cc(C)nn12)N1CC[C@H](C1)NC(=O)Nc1ccccc1 |r| Show InChI InChI=1S/C27H30N6O3/c1-17-14-22(32-13-12-21(16-32)30-27(34)29-20-8-6-5-7-9-20)26-28-18(2)25(33(26)31-17)19-10-11-23(35-3)24(15-19)36-4/h5-11,14-15,21H,12-13,16H2,1-4H3,(H2,29,30,34)/t21-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The fluorescence based assay to monitor the activity of human nSMase2 in the presence or absence of potential inhibitors has been described recently....				Citation and Details BindingDB Entry DOI: 10.7270/Q2WM1HN0
					More data for this Ligand-Target Pair
Sphingomyelin phosphodiesterase 3 (Homo sapiens)	BDBM50540365 (CHEMBL4633254 | US11427590, Entry 34) Show SMILES COc1ccc(cc1OC)-c1c(C)nc2c(cc(C)nn12)N1CC[C@H](C1)NC(=O)COc1ccccc1 |r| Show InChI InChI=1S/C28H31N5O4/c1-18-14-23(32-13-12-21(16-32)30-26(34)17-37-22-8-6-5-7-9-22)28-29-19(2)27(33(28)31-18)20-10-11-24(35-3)25(15-20)36-4/h5-11,14-15,21H,12-13,16-17H2,1-4H3,(H,30,34)/t21-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Czech Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human recombinant full-length nSMase expressed in HEK293 cells using sphingomyelin as substrate measured after 1 hr by alkaline phospha...				J Med Chem 63: 6028-6056 (2020) Article DOI: 10.1021/acs.jmedchem.0c00278 BindingDB Entry DOI: 10.7270/Q2862M0C
					More data for this Ligand-Target Pair
Sphingomyelin phosphodiesterase 3 (Homo sapiens)	BDBM50540369 (CHEMBL4632713 | US11427590, Entry 19) Show SMILES COc1ccc(cc1OC)-c1c(C)nc2c(cc(C)nn12)N1CC[C@H](C1)NC(=O)Nc1ccccc1 |r| Show InChI InChI=1S/C27H30N6O3/c1-17-14-22(32-13-12-21(16-32)30-27(34)29-20-8-6-5-7-9-20)26-28-18(2)25(33(26)31-17)19-10-11-23(35-3)24(15-19)36-4/h5-11,14-15,21H,12-13,16H2,1-4H3,(H2,29,30,34)/t21-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Czech Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human recombinant full-length nSMase expressed in HEK293 cells using sphingomyelin as substrate measured after 1 hr by alkaline phospha...				J Med Chem 63: 6028-6056 (2020) Article DOI: 10.1021/acs.jmedchem.0c00278 BindingDB Entry DOI: 10.7270/Q2862M0C
					More data for this Ligand-Target Pair
Sphingomyelin phosphodiesterase 3 (Homo sapiens)	BDBM50540382 (CHEMBL4640034 | US11427590, Entry 23) Show SMILES COc1ccc(cc1OC)-c1c(C)nc2c(cc(C)nn12)N1CC[C@H](C1)NS(=O)(=O)c1ccc(cc1)C(C)=O |r| Show InChI InChI=1S/C28H31N5O5S/c1-17-14-24(28-29-18(2)27(33(28)30-17)21-8-11-25(37-4)26(15-21)38-5)32-13-12-22(16-32)31-39(35,36)23-9-6-20(7-10-23)19(3)34/h6-11,14-15,22,31H,12-13,16H2,1-5H3/t22-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The fluorescence based assay to monitor the activity of human nSMase2 in the presence or absence of potential inhibitors has been described recently....				Citation and Details BindingDB Entry DOI: 10.7270/Q2WM1HN0
					More data for this Ligand-Target Pair
Sphingomyelin phosphodiesterase 3 (Homo sapiens)	BDBM50540372 (CHEMBL4648184 | US11427590, Entry 42) Show SMILES COc1ccc(cc1OC)-c1c(C)nc2c(cc(C)nn12)N1CC[C@H](C1)NC(=O)Oc1cccc(C)c1 |r| Show InChI InChI=1S/C28H31N5O4/c1-17-7-6-8-22(13-17)37-28(34)30-21-11-12-32(16-21)23-14-18(2)31-33-26(19(3)29-27(23)33)20-9-10-24(35-4)25(15-20)36-5/h6-10,13-15,21H,11-12,16H2,1-5H3,(H,30,34)/t21-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Czech Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human recombinant full-length nSMase expressed in HEK293 cells using sphingomyelin as substrate measured after 1 hr by alkaline phospha...				J Med Chem 63: 6028-6056 (2020) Article DOI: 10.1021/acs.jmedchem.0c00278 BindingDB Entry DOI: 10.7270/Q2862M0C
					More data for this Ligand-Target Pair
Sphingomyelin phosphodiesterase 3 (Homo sapiens)	BDBM50540381 (CHEMBL4632415 | US11427590, Entry 30) Show SMILES COc1ccc(cc1OC)-c1c(C)nc2c(cc(C)nn12)N1CC[C@H](C1)NS(=O)(=O)c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C27H28F3N5O4S/c1-16-13-22(26-31-17(2)25(35(26)32-16)18-5-10-23(38-3)24(14-18)39-4)34-12-11-20(15-34)33-40(36,37)21-8-6-19(7-9-21)27(28,29)30/h5-10,13-14,20,33H,11-12,15H2,1-4H3/t20-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Czech Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human recombinant full-length nSMase expressed in HEK293 cells using sphingomyelin as substrate measured after 1 hr by alkaline phospha...				J Med Chem 63: 6028-6056 (2020) Article DOI: 10.1021/acs.jmedchem.0c00278 BindingDB Entry DOI: 10.7270/Q2862M0C
					More data for this Ligand-Target Pair
Sphingomyelin phosphodiesterase 3 (Homo sapiens)	BDBM50540382 (CHEMBL4640034 | US11427590, Entry 23) Show SMILES COc1ccc(cc1OC)-c1c(C)nc2c(cc(C)nn12)N1CC[C@H](C1)NS(=O)(=O)c1ccc(cc1)C(C)=O |r| Show InChI InChI=1S/C28H31N5O5S/c1-17-14-24(28-29-18(2)27(33(28)30-17)21-8-11-25(37-4)26(15-21)38-5)32-13-12-22(16-32)31-39(35,36)23-9-6-20(7-10-23)19(3)34/h6-11,14-15,22,31H,12-13,16H2,1-5H3/t22-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Czech Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human recombinant full-length nSMase expressed in HEK293 cells using sphingomyelin as substrate measured after 1 hr by alkaline phospha...				J Med Chem 63: 6028-6056 (2020) Article DOI: 10.1021/acs.jmedchem.0c00278 BindingDB Entry DOI: 10.7270/Q2862M0C
					More data for this Ligand-Target Pair
Sphingomyelin phosphodiesterase 3 (Homo sapiens)	BDBM50540384 (CHEMBL4644595) Show SMILES COc1ccc(cc1OC)-c1c(C)nc2c(cc(C)nn12)N1CC[C@H](C1)NS(=O)(=O)c1ccc(cc1)C#N |r| Show InChI InChI=1S/C27H28N6O4S/c1-17-13-23(32-12-11-21(16-32)31-38(34,35)22-8-5-19(15-28)6-9-22)27-29-18(2)26(33(27)30-17)20-7-10-24(36-3)25(14-20)37-4/h5-10,13-14,21,31H,11-12,16H2,1-4H3/t21-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Czech Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human recombinant full-length nSMase expressed in HEK293 cells using sphingomyelin as substrate measured after 1 hr by alkaline phospha...				J Med Chem 63: 6028-6056 (2020) Article DOI: 10.1021/acs.jmedchem.0c00278 BindingDB Entry DOI: 10.7270/Q2862M0C
					More data for this Ligand-Target Pair
Sphingomyelin phosphodiesterase 3 (Homo sapiens)	BDBM50521410 (CHEMBL4441694) Show SMILES COc1cc(cc(OC)c1O)-c1ncc(C)[nH]1 Show InChI InChI=1S/C12H14N2O3/c1-7-6-13-12(14-7)8-4-9(16-2)11(15)10(5-8)17-3/h4-6,15H,1-3H3,(H,13,14)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University Curated by ChEMBL					Assay Description Inhibition of human recombinant nSMase expressed in HEK293 cells using sphingomyelin as substrate by alkaline phosphatase, choline oxidase and horser...				Eur J Med Chem 170: 276-289 (2019) Article DOI: 10.1016/j.ejmech.2019.03.015 BindingDB Entry DOI: 10.7270/Q27H1NZR
					More data for this Ligand-Target Pair
Sphingomyelin phosphodiesterase 3 (Homo sapiens)	BDBM50540375 (CHEMBL4644815 | US11427590, Entry 27) Show SMILES COc1ccc(cc1OC)-c1c(C)nc2c(cc(C)nn12)N1CC[C@H](C1)NS(=O)(=O)C(C)C |r| Show InChI InChI=1S/C23H31N5O4S/c1-14(2)33(29,30)26-18-9-10-27(13-18)19-11-15(3)25-28-22(16(4)24-23(19)28)17-7-8-20(31-5)21(12-17)32-6/h7-8,11-12,14,18,26H,9-10,13H2,1-6H3/t18-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Czech Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human recombinant full-length nSMase expressed in HEK293 cells using sphingomyelin as substrate measured after 1 hr by alkaline phospha...				J Med Chem 63: 6028-6056 (2020) Article DOI: 10.1021/acs.jmedchem.0c00278 BindingDB Entry DOI: 10.7270/Q2862M0C
					More data for this Ligand-Target Pair

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