Compile Data Set for Download or QSAR

Found 155 hits of ic50 for UniProtKB: P17405   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Sphingomyelin phosphodiesterase (Homo sapiens)	BDBM50370179 (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)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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
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)	BDBM50520416 (CHEMBL4553570) Show SMILES CCCCCCCC(N)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C8H21NO6P2/c1-2-3-4-5-6-7-8(9,16(10,11)12)17(13,14)15/h2-7,9H2,1H3,(H2,10,11,12)(H2,13,14,15)	PDB UniProtKB/SwissProt antibodypedia 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
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of acid sphingomyelinase (unknown origin)				J Med Chem 63: 961-974 (2020) Article DOI: 10.1021/acs.jmedchem.9b00739 BindingDB Entry DOI: 10.7270/Q2FJ2M5M
					More data for this Ligand-Target Pair
Sphingomyelin phosphodiesterase (Homo sapiens)	BDBM50370125 (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)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/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 (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)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/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 (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)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/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 (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)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/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)	BDBM50520398 (CHEMBL4551503) Show SMILES ONC(=O)c1cc(OCc2ccc(cc2)-c2ccc(Cl)cc2)no1 Show InChI InChI=1S/C17H13ClN2O4/c18-14-7-5-13(6-8-14)12-3-1-11(2-4-12)10-23-16-9-15(24-20-16)17(21)19-22/h1-9,22H,10H2,(H,19,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human Huh7 cell derived acid sphingomyelinase using NBD-sphingomyelin as substrate after 30 mins by fluorescence based assay				J Med Chem 63: 961-974 (2020) Article DOI: 10.1021/acs.jmedchem.9b00739 BindingDB Entry DOI: 10.7270/Q2FJ2M5M
					More data for this Ligand-Target Pair
Sphingomyelin phosphodiesterase (Homo sapiens)	BDBM50520407 (CHEMBL4464117) Show SMILES COc1ccc(cc1OCc1ccc(cc1)-c1ccc(Cl)cc1)C(=O)NO Show InChI InChI=1S/C21H18ClNO4/c1-26-19-11-8-17(21(24)23-25)12-20(19)27-13-14-2-4-15(5-3-14)16-6-9-18(22)10-7-16/h2-12,25H,13H2,1H3,(H,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human Huh7 cell derived acid sphingomyelinase using NBD-sphingomyelin as substrate after 30 mins by fluorescence based assay				J Med Chem 63: 961-974 (2020) Article DOI: 10.1021/acs.jmedchem.9b00739 BindingDB Entry DOI: 10.7270/Q2FJ2M5M
					More data for this Ligand-Target Pair
Sphingomyelin phosphodiesterase (Homo sapiens)	BDBM50370164 (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	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/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)	BDBM50520402 (CHEMBL4517596) Show SMILES ONC(=O)c1cccc(OCc2ccc(cc2)-c2ccc(Cl)cc2)c1 Show InChI InChI=1S/C20H16ClNO3/c21-18-10-8-16(9-11-18)15-6-4-14(5-7-15)13-25-19-3-1-2-17(12-19)20(23)22-24/h1-12,24H,13H2,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human acid sphingomyelinase (His62 to Pro628 residues) using NBD-sphingomyelin as substrate after 30 mins by fluorescence b...				J Med Chem 63: 961-974 (2020) Article DOI: 10.1021/acs.jmedchem.9b00739 BindingDB Entry DOI: 10.7270/Q2FJ2M5M
					More data for this Ligand-Target Pair
Sphingomyelin phosphodiesterase (Homo sapiens)	BDBM50520405 (CHEMBL4464068) Show SMILES CCCCCCCCCCOc1cc(on1)C(=O)NO Show InChI InChI=1S/C14H24N2O4/c1-2-3-4-5-6-7-8-9-10-19-13-11-12(20-16-13)14(17)15-18/h11,18H,2-10H2,1H3,(H,15,17)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human Huh7 cell derived acid sphingomyelinase using NBD-sphingomyelin as substrate after 30 mins by fluorescence based assay				J Med Chem 63: 961-974 (2020) Article DOI: 10.1021/acs.jmedchem.9b00739 BindingDB Entry DOI: 10.7270/Q2FJ2M5M
					More data for this Ligand-Target Pair
Sphingomyelin phosphodiesterase (Homo sapiens)	BDBM50370151 (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	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/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 (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)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human Huh7 cell derived acid sphingomyelinase using NBD-sphingomyelin as substrate after 30 mins by fluorescence based assay				J Med Chem 63: 961-974 (2020) Article DOI: 10.1021/acs.jmedchem.9b00739 BindingDB Entry DOI: 10.7270/Q2FJ2M5M
					More data for this Ligand-Target Pair
Sphingomyelin phosphodiesterase (Homo sapiens)	BDBM50370175 (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)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/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)	BDBM50520406 (CHEMBL4471880) Show SMILES ONC(=O)c1cc(OCc2ccc(cc2)-c2ccccc2)no1 Show InChI InChI=1S/C17H14N2O4/c20-17(18-21)15-10-16(19-23-15)22-11-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-10,21H,11H2,(H,18,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	880	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human Huh7 cell derived acid sphingomyelinase using NBD-sphingomyelin as substrate after 30 mins by fluorescence based assay				J Med Chem 63: 961-974 (2020) Article DOI: 10.1021/acs.jmedchem.9b00739 BindingDB Entry DOI: 10.7270/Q2FJ2M5M
					More data for this Ligand-Target Pair
Sphingomyelin phosphodiesterase (Homo sapiens)	BDBM50370175 (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)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	890	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human acid sphingomyelinase (His62 to Pro628 residues) using NBD-sphingomyelin as substrate after 30 mins by fluorescence b...				J Med Chem 63: 961-974 (2020) Article DOI: 10.1021/acs.jmedchem.9b00739 BindingDB Entry DOI: 10.7270/Q2FJ2M5M
					More data for this Ligand-Target Pair
Sphingomyelin phosphodiesterase (Homo sapiens)	BDBM50407347 (CHEMBL5273649) Show SMILES CC(C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)CC2(CCCCC2)SSC[C@H](NC(=O)[C@@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O Show InChI InChI=1S/C51H73N13O10S2/c1-30(2)42-48(73)61-36(26-39(52)65)45(70)62-37(49(74)64-23-13-19-38(64)47(72)59-33(18-12-22-56-50(54)55)43(68)57-28-40(53)66)29-75-76-51(20-10-5-11-21-51)27-41(67)58-34(24-31-14-6-3-7-15-31)44(69)60-35(46(71)63-42)25-32-16-8-4-9-17-32/h3-4,6-9,14-17,30,33-38,42H,5,10-13,18-29H2,1-2H3,(H2,52,65)(H2,53,66)(H,57,68)(H,58,67)(H,59,72)(H,60,69)(H,61,73)(H,62,70)(H,63,71)(H4,54,55,56)/t33-,34+,35+,36+,37-,38-,42-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	1.14E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonistic activity on 5-hydroxytryptamine 2B receptor of Rat stomach fundus;ND is not determined				Citation and Details
					More data for this Ligand-Target Pair
Sphingomyelin phosphodiesterase (Homo sapiens)	BDBM50370126 (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)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.42E+3	n/a	n/a	n/a	n/a	n/a	n/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)	BDBM50520404 (CHEMBL4449978) Show SMILES ONC(=O)c1cccc(OCc2ccc(cc2)-c2noc(CCc3ccccc3)n2)c1 Show InChI InChI=1S/C24H21N3O4/c28-24(26-29)20-7-4-8-21(15-20)30-16-18-9-12-19(13-10-18)23-25-22(31-27-23)14-11-17-5-2-1-3-6-17/h1-10,12-13,15,29H,11,14,16H2,(H,26,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.73E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human Huh7 cell derived acid sphingomyelinase using NBD-sphingomyelin as substrate after 30 mins by fluorescence based assay				J Med Chem 63: 961-974 (2020) Article DOI: 10.1021/acs.jmedchem.9b00739 BindingDB Entry DOI: 10.7270/Q2FJ2M5M
					More data for this Ligand-Target Pair
Sphingomyelin phosphodiesterase (Homo sapiens)	BDBM50407249 (CHEMBL5273927) Show SMILES CC(C)C[C@@H]1CN[C@@H](CCCCNC(=O)OCc2ccccc2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(=O)N1 Show InChI InChI=1S/C48H63N9O8/c1-31(2)25-35-29-53-38(19-11-12-23-51-48(64)65-30-33-15-7-4-8-16-33)45(61)55-39(20-21-42(49)58)46(62)57-41(27-34-28-52-37-18-10-9-17-36(34)37)47(63)56-40(26-32-13-5-3-6-14-32)44(60)50-24-22-43(59)54-35/h3-10,13-18,28,31,35,38-41,52-53H,11-12,19-27,29-30H2,1-2H3,(H2,49,58)(H,50,60)(H,51,64)(H,54,59)(H,55,61)(H,56,63)(H,57,62)/t35-,38+,39-,40-,41+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	1.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Negative log concentration of antagonist was determined on 5-hydroxytryptamine 2B receptor of Rat stomach fundus				Citation and Details
					More data for this Ligand-Target Pair
Sphingomyelin phosphodiesterase (Homo sapiens)	BDBM50407248 (CHEMBL5271590) Show SMILES CC(C)C[C@@H]1CN[C@@H](CC(C)C)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(=O)N1 Show InChI InChI=1S/C40H56N8O6/c1-24(2)18-28-23-44-32(19-25(3)4)39(53)46-31(14-15-35(41)49)38(52)48-34(21-27-22-43-30-13-9-8-12-29(27)30)40(54)47-33(20-26-10-6-5-7-11-26)37(51)42-17-16-36(50)45-28/h5-13,22,24-25,28,31-34,43-44H,14-21,23H2,1-4H3,(H2,41,49)(H,42,51)(H,45,50)(H,46,53)(H,47,54)(H,48,52)/t28-,31-,32+,33-,34+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	1.82E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Negative log concentration of antagonist was determined on 5-hydroxytryptamine 2B receptor of Rat stomach fundus				Citation and Details
					More data for this Ligand-Target Pair
Sphingomyelin phosphodiesterase (Homo sapiens)	BDBM50407247 (CHEMBL5276301) Show SMILES CC(C)C[C@@H]1CN[C@@H](CCCCN)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(=O)N1 Show InChI InChI=1S/C40H57N9O6/c1-25(2)20-28-24-45-31(14-8-9-18-41)38(53)47-32(15-16-35(42)50)39(54)49-34(22-27-23-44-30-13-7-6-12-29(27)30)40(55)48-33(21-26-10-4-3-5-11-26)37(52)43-19-17-36(51)46-28/h3-7,10-13,23,25,28,31-34,44-45H,8-9,14-22,24,41H2,1-2H3,(H2,42,50)(H,43,52)(H,46,51)(H,47,53)(H,48,55)(H,49,54)/t28-,31+,32-,33-,34+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	1.86E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Negative log concentration of antagonist on 5-hydroxytryptamine 2A receptor in rat thoracic aorta				Citation and Details
					More data for this Ligand-Target Pair
Sphingomyelin phosphodiesterase (Homo sapiens)	BDBM50520399 (CHEMBL4588641) Show SMILES CCCCCCc1ccc(COc2cc(ccc2OC)C(=O)NO)cc1 Show InChI InChI=1S/C21H27NO4/c1-3-4-5-6-7-16-8-10-17(11-9-16)15-26-20-14-18(21(23)22-24)12-13-19(20)25-2/h8-14,24H,3-7,15H2,1-2H3,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.96E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human Huh7 cell derived acid sphingomyelinase using NBD-sphingomyelin as substrate after 30 mins by fluorescence based assay				J Med Chem 63: 961-974 (2020) Article DOI: 10.1021/acs.jmedchem.9b00739 BindingDB Entry DOI: 10.7270/Q2FJ2M5M
					More data for this Ligand-Target Pair
Sphingomyelin phosphodiesterase (Homo sapiens)	BDBM50520397 (CHEMBL4465034) Show SMILES CCCCCCc1ccc(COc2cccc(c2)C(=O)NO)cc1 Show InChI InChI=1S/C20H25NO3/c1-2-3-4-5-7-16-10-12-17(13-11-16)15-24-19-9-6-8-18(14-19)20(22)21-23/h6,8-14,23H,2-5,7,15H2,1H3,(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.11E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human Huh7 cell derived acid sphingomyelinase using NBD-sphingomyelin as substrate after 30 mins by fluorescence based assay				J Med Chem 63: 961-974 (2020) Article DOI: 10.1021/acs.jmedchem.9b00739 BindingDB Entry DOI: 10.7270/Q2FJ2M5M
					More data for this Ligand-Target Pair
Sphingomyelin phosphodiesterase (Homo sapiens)	BDBM50520405 (CHEMBL4464068) Show SMILES CCCCCCCCCCOc1cc(on1)C(=O)NO Show InChI InChI=1S/C14H24N2O4/c1-2-3-4-5-6-7-8-9-10-19-13-11-12(20-16-13)14(17)15-18/h11,18H,2-10H2,1H3,(H,15,17)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human acid sphingomyelinase (His62 to Pro628 residues) using NBD-sphingomyelin as substrate after 30 mins by fluorescence b...				J Med Chem 63: 961-974 (2020) Article DOI: 10.1021/acs.jmedchem.9b00739 BindingDB Entry DOI: 10.7270/Q2FJ2M5M
					More data for this Ligand-Target Pair
Sphingomyelin phosphodiesterase (Homo sapiens)	BDBM50308980 (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	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.34E+3	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of acid sphingomyelinase (unknown origin)				J Med Chem 63: 961-974 (2020) Article DOI: 10.1021/acs.jmedchem.9b00739 BindingDB Entry DOI: 10.7270/Q2FJ2M5M
					More data for this Ligand-Target Pair
Sphingomyelin phosphodiesterase (Homo sapiens)	BDBM50520398 (CHEMBL4551503) Show SMILES ONC(=O)c1cc(OCc2ccc(cc2)-c2ccc(Cl)cc2)no1 Show InChI InChI=1S/C17H13ClN2O4/c18-14-7-5-13(6-8-14)12-3-1-11(2-4-12)10-23-16-9-15(24-20-16)17(21)19-22/h1-9,22H,10H2,(H,19,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.37E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human acid sphingomyelinase (His62 to Pro628 residues) using NBD-sphingomyelin as substrate after 30 mins by fluorescence b...				J Med Chem 63: 961-974 (2020) Article DOI: 10.1021/acs.jmedchem.9b00739 BindingDB Entry DOI: 10.7270/Q2FJ2M5M
					More data for this Ligand-Target Pair
Sphingomyelin phosphodiesterase (Homo sapiens)	BDBM50520397 (CHEMBL4465034) Show SMILES CCCCCCc1ccc(COc2cccc(c2)C(=O)NO)cc1 Show InChI InChI=1S/C20H25NO3/c1-2-3-4-5-7-16-10-12-17(13-11-16)15-24-19-9-6-8-18(14-19)20(22)21-23/h6,8-14,23H,2-5,7,15H2,1H3,(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.38E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human acid sphingomyelinase (His62 to Pro628 residues) using NBD-sphingomyelin as substrate after 30 mins by fluorescence b...				J Med Chem 63: 961-974 (2020) Article DOI: 10.1021/acs.jmedchem.9b00739 BindingDB Entry DOI: 10.7270/Q2FJ2M5M
					More data for this Ligand-Target Pair
Sphingomyelin phosphodiesterase (Homo sapiens)	BDBM50370153 (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	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/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)	BDBM50520409 (CHEMBL4446879) Show SMILES COc1ccc(cc1OCc1ccc(cc1)-c1ccccc1)C(=O)NO Show InChI InChI=1S/C21H19NO4/c1-25-19-12-11-18(21(23)22-24)13-20(19)26-14-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-13,24H,14H2,1H3,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.63E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human Huh7 cell derived acid sphingomyelinase using NBD-sphingomyelin as substrate after 30 mins by fluorescence based assay				J Med Chem 63: 961-974 (2020) Article DOI: 10.1021/acs.jmedchem.9b00739 BindingDB Entry DOI: 10.7270/Q2FJ2M5M
					More data for this Ligand-Target Pair
Sphingomyelin phosphodiesterase (Homo sapiens)	BDBM50520403 (CHEMBL4462822) Show SMILES COc1ccc(cc1OCc1ccc(cc1)-c1cccnc1)C(=O)NO Show InChI InChI=1S/C20H18N2O4/c1-25-18-9-8-16(20(23)22-24)11-19(18)26-13-14-4-6-15(7-5-14)17-3-2-10-21-12-17/h2-12,24H,13H2,1H3,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.83E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human acid sphingomyelinase (His62 to Pro628 residues) using NBD-sphingomyelin as substrate after 30 mins by fluorescence b...				J Med Chem 63: 961-974 (2020) Article DOI: 10.1021/acs.jmedchem.9b00739 BindingDB Entry DOI: 10.7270/Q2FJ2M5M
					More data for this Ligand-Target Pair
Sphingomyelin phosphodiesterase (Homo sapiens)	BDBM50520406 (CHEMBL4471880) Show SMILES ONC(=O)c1cc(OCc2ccc(cc2)-c2ccccc2)no1 Show InChI InChI=1S/C17H14N2O4/c20-17(18-21)15-10-16(19-23-15)22-11-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-10,21H,11H2,(H,18,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human acid sphingomyelinase (His62 to Pro628 residues) using NBD-sphingomyelin as substrate after 30 mins by fluorescence b...				J Med Chem 63: 961-974 (2020) Article DOI: 10.1021/acs.jmedchem.9b00739 BindingDB Entry DOI: 10.7270/Q2FJ2M5M
					More data for this Ligand-Target Pair
Sphingomyelin phosphodiesterase (Homo sapiens)	BDBM50308981 (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	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.16E+3	n/a	n/a	n/a	n/a	n/a	n/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)	BDBM50520404 (CHEMBL4449978) Show SMILES ONC(=O)c1cccc(OCc2ccc(cc2)-c2noc(CCc3ccccc3)n2)c1 Show InChI InChI=1S/C24H21N3O4/c28-24(26-29)20-7-4-8-21(15-20)30-16-18-9-12-19(13-10-18)23-25-22(31-27-23)14-11-17-5-2-1-3-6-17/h1-10,12-13,15,29H,11,14,16H2,(H,26,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human acid sphingomyelinase (His62 to Pro628 residues) using NBD-sphingomyelin as substrate after 30 mins by fluorescence b...				J Med Chem 63: 961-974 (2020) Article DOI: 10.1021/acs.jmedchem.9b00739 BindingDB Entry DOI: 10.7270/Q2FJ2M5M
					More data for this Ligand-Target Pair
Sphingomyelin phosphodiesterase (Homo sapiens)	BDBM50370171 (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+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.89E+3	n/a	n/a	n/a	n/a	n/a	n/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 (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+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.89E+3	n/a	n/a	n/a	n/a	n/a	n/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)	BDBM50520413 (CHEMBL4464771) Show SMILES ONC(=O)c1cccc(OCc2ccc(cc2)-c2noc(Cc3ccccc3)n2)c1 Show InChI InChI=1S/C23H19N3O4/c27-23(25-28)19-7-4-8-20(14-19)29-15-17-9-11-18(12-10-17)22-24-21(30-26-22)13-16-5-2-1-3-6-16/h1-12,14,28H,13,15H2,(H,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.93E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human acid sphingomyelinase (His62 to Pro628 residues) using NBD-sphingomyelin as substrate after 30 mins by fluorescence b...				J Med Chem 63: 961-974 (2020) Article DOI: 10.1021/acs.jmedchem.9b00739 BindingDB Entry DOI: 10.7270/Q2FJ2M5M
					More data for this Ligand-Target Pair
Sphingomyelin phosphodiesterase (Homo sapiens)	BDBM50520403 (CHEMBL4462822) Show SMILES COc1ccc(cc1OCc1ccc(cc1)-c1cccnc1)C(=O)NO Show InChI InChI=1S/C20H18N2O4/c1-25-18-9-8-16(20(23)22-24)11-19(18)26-13-14-4-6-15(7-5-14)17-3-2-10-21-12-17/h2-12,24H,13H2,1H3,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.97E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human Huh7 cell derived acid sphingomyelinase using NBD-sphingomyelin as substrate after 30 mins by fluorescence based assay				J Med Chem 63: 961-974 (2020) Article DOI: 10.1021/acs.jmedchem.9b00739 BindingDB Entry DOI: 10.7270/Q2FJ2M5M
					More data for this Ligand-Target Pair
Sphingomyelin phosphodiesterase (Homo sapiens)	BDBM50010859 (CHEMBL11 | IMIPRAMINE HYDROCHLORIDE | IMIPRAMINE P...) Show SMILES CN(C)CCCN1c2ccccc2CCc2ccccc12 Show InChI InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Furtwangen University Curated by ChEMBL					Assay Description Inhibition of mmLDL-stimulated acid sphingomyelinase in human PBMC lysates using 3H-sphingomyelin as substrate preincubated for 30 mins followed by m...				Eur J Med Chem 153: 73-104 (2018) Article DOI: 10.1016/j.ejmech.2017.09.021 BindingDB Entry DOI: 10.7270/Q2B85BPG
					More data for this Ligand-Target Pair
Sphingomyelin phosphodiesterase (Homo sapiens)	BDBM61401 (3,3-diphenyl-N-(1-phenylethyl)-1-propanamine;hydro...) Show SMILES CC(NCCC(c1ccccc1)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C23H25N/c1-19(20-11-5-2-6-12-20)24-18-17-23(21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,19,23-24H,17-18H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of ASM (unknown origin)-mediated KRAS mislocalization from plasma membrane				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113381 BindingDB Entry DOI: 10.7270/Q2988BSN
					More data for this Ligand-Target Pair
Sphingomyelin phosphodiesterase (Homo sapiens)	BDBM50369508 (CHEMBL4177055) Show SMILES COc1ccc(CCN(C)CCn2c3ccccc3c3ccccc23)cc1 Show InChI InChI=1S/C24H26N2O/c1-25(16-15-19-11-13-20(27-2)14-12-19)17-18-26-23-9-5-3-7-21(23)22-8-4-6-10-24(22)26/h3-14H,15-18H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Furtwangen University Curated by ChEMBL					Assay Description Inhibition of mmLDL-stimulated acid sphingomyelinase in human PBMC lysates using 3H-sphingomyelin as substrate preincubated for 30 mins followed by m...				Eur J Med Chem 153: 73-104 (2018) Article DOI: 10.1016/j.ejmech.2017.09.021 BindingDB Entry DOI: 10.7270/Q2B85BPG
					More data for this Ligand-Target Pair
Sphingomyelin phosphodiesterase (Homo sapiens)	BDBM50370149 (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)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.78E+3	n/a	n/a	n/a	n/a	n/a	n/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)	BDBM50520413 (CHEMBL4464771) Show SMILES ONC(=O)c1cccc(OCc2ccc(cc2)-c2noc(Cc3ccccc3)n2)c1 Show InChI InChI=1S/C23H19N3O4/c27-23(25-28)19-7-4-8-20(14-19)29-15-17-9-11-18(12-10-17)22-24-21(30-26-22)13-16-5-2-1-3-6-16/h1-12,14,28H,13,15H2,(H,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.83E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human Huh7 cell derived acid sphingomyelinase using NBD-sphingomyelin as substrate after 30 mins by fluorescence based assay				J Med Chem 63: 961-974 (2020) Article DOI: 10.1021/acs.jmedchem.9b00739 BindingDB Entry DOI: 10.7270/Q2FJ2M5M
					More data for this Ligand-Target Pair
Sphingomyelin phosphodiesterase (Homo sapiens)	BDBM50520407 (CHEMBL4464117) Show SMILES COc1ccc(cc1OCc1ccc(cc1)-c1ccc(Cl)cc1)C(=O)NO Show InChI InChI=1S/C21H18ClNO4/c1-26-19-11-8-17(21(24)23-25)12-20(19)27-13-14-2-4-15(5-3-14)16-6-9-18(22)10-7-16/h2-12,25H,13H2,1H3,(H,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human acid sphingomyelinase (His62 to Pro628 residues) using NBD-sphingomyelin as substrate after 30 mins by fluorescence b...				J Med Chem 63: 961-974 (2020) Article DOI: 10.1021/acs.jmedchem.9b00739 BindingDB Entry DOI: 10.7270/Q2FJ2M5M
					More data for this Ligand-Target Pair
Sphingomyelin phosphodiesterase (Homo sapiens)	BDBM50520421 (CHEMBL4520414) Show SMILES CCc1nc(no1)-c1ccc(COc2cc(ccc2OC)C(=O)NO)cc1 Show InChI InChI=1S/C19H19N3O5/c1-3-17-20-18(22-27-17)13-6-4-12(5-7-13)11-26-16-10-14(19(23)21-24)8-9-15(16)25-2/h4-10,24H,3,11H2,1-2H3,(H,21,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.22E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human Huh7 cell derived acid sphingomyelinase using NBD-sphingomyelin as substrate after 30 mins by fluorescence based assay				J Med Chem 63: 961-974 (2020) Article DOI: 10.1021/acs.jmedchem.9b00739 BindingDB Entry DOI: 10.7270/Q2FJ2M5M
					More data for this Ligand-Target Pair
Sphingomyelin phosphodiesterase (Homo sapiens)	BDBM50520402 (CHEMBL4517596) Show SMILES ONC(=O)c1cccc(OCc2ccc(cc2)-c2ccc(Cl)cc2)c1 Show InChI InChI=1S/C20H16ClNO3/c21-18-10-8-16(9-11-18)15-6-4-14(5-7-15)13-25-19-3-1-2-17(12-19)20(23)22-24/h1-12,24H,13H2,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.96E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human Huh7 cell derived acid sphingomyelinase using NBD-sphingomyelin as substrate after 30 mins by fluorescence based assay				J Med Chem 63: 961-974 (2020) Article DOI: 10.1021/acs.jmedchem.9b00739 BindingDB Entry DOI: 10.7270/Q2FJ2M5M
					More data for this Ligand-Target Pair
Sphingomyelin phosphodiesterase (Homo sapiens)	BDBM50369574 (CHEMBL4162909) Show SMILES COc1ccc(CCN(C)CCCN2c3ccccc3Sc3ccccc23)cc1 Show InChI InChI=1S/C25H28N2OS/c1-26(19-16-20-12-14-21(28-2)15-13-20)17-7-18-27-22-8-3-5-10-24(22)29-25-11-6-4-9-23(25)27/h3-6,8-15H,7,16-19H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Furtwangen University Curated by ChEMBL					Assay Description Inhibition of mmLDL-stimulated acid sphingomyelinase in human PBMC lysates using 3H-sphingomyelin as substrate preincubated for 30 mins followed by m...				Eur J Med Chem 153: 73-104 (2018) Article DOI: 10.1016/j.ejmech.2017.09.021 BindingDB Entry DOI: 10.7270/Q2B85BPG
					More data for this Ligand-Target Pair
Sphingomyelin phosphodiesterase (Homo sapiens)	BDBM50369513 (CHEMBL4164995) Show SMILES COc1ccc(CCN2[C@@H](C)CN(CCCn3c4ccccc4c4ccccc34)C[C@H]2C)cc1 |r| Show InChI InChI=1S/C30H37N3O/c1-23-21-31(22-24(2)32(23)20-17-25-13-15-26(34-3)16-14-25)18-8-19-33-29-11-6-4-9-27(29)28-10-5-7-12-30(28)33/h4-7,9-16,23-24H,8,17-22H2,1-3H3/t23-,24+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Furtwangen University Curated by ChEMBL					Assay Description Inhibition of mmLDL-stimulated acid sphingomyelinase in human PBMC lysates using 3H-sphingomyelin as substrate preincubated for 30 mins followed by m...				Eur J Med Chem 153: 73-104 (2018) Article DOI: 10.1016/j.ejmech.2017.09.021 BindingDB Entry DOI: 10.7270/Q2B85BPG
					More data for this Ligand-Target Pair
Sphingomyelin phosphodiesterase (Homo sapiens)	BDBM50520401 (CHEMBL4472122) Show SMILES COc1ccc(cc1OCc1noc(n1)-c1cccc(Cl)c1)C(=O)NO Show InChI InChI=1S/C17H14ClN3O5/c1-24-13-6-5-10(16(22)20-23)8-14(13)25-9-15-19-17(26-21-15)11-3-2-4-12(18)7-11/h2-8,23H,9H2,1H3,(H,20,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.22E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human Huh7 cell derived acid sphingomyelinase using NBD-sphingomyelin as substrate after 30 mins by fluorescence based assay				J Med Chem 63: 961-974 (2020) Article DOI: 10.1021/acs.jmedchem.9b00739 BindingDB Entry DOI: 10.7270/Q2FJ2M5M
					More data for this Ligand-Target Pair

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