Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingomyelin phosphodiesterase' and Ligand = 'BDBM50370168'   

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 (Homo sapiens)	BDBM50370168 (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	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.82E+4	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
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