Compile Data Set for Download or QSAR

Found 108 hits with Last Name = 'higaki' and Initial = 'k'   

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
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50236280 (CHEMBL4100971) Show SMILES [H][C@@]12CO[C@@]([H])([C@H](O)[C@@H](O)[C@@H]1O)N2C(=S)NCCCCNC(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F |r,TLB:7:6:2.3:12,THB:11:10:2.3:12| Show InChI InChI=1S/C20H24F13N3O5S/c21-15(22,16(23,24)17(25,26)18(27,28)19(29,30)20(31,32)33)4-3-9(37)34-5-1-2-6-35-14(42)36-8-7-41-13(36)12(40)11(39)10(8)38/h8,10-13,38-40H,1-7H2,(H,34,37)(H,35,42)/t8-,10-,11+,12-,13+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sevilla Curated by ChEMBL					Assay Description In vitro inhibitory activity against human whole blood Prostaglandin G/H synthase 2				J Med Chem 60: 1829-1842 (2017) Article DOI: 10.1021/acs.jmedchem.6b01550 BindingDB Entry DOI: 10.7270/Q2K939S5
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50236278 (CHEMBL4077472) Show SMILES [H][C@@]12CO[C@@]([H])([C@H](O)[C@@H](O)[C@@H]1O)N2C(=S)NCCCCNC(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F |r,TLB:7:6:2.3:12,THB:11:10:2.3:12| Show InChI InChI=1S/C18H24F9N3O5S/c19-15(20,16(21,22)17(23,24)18(25,26)27)4-3-9(31)28-5-1-2-6-29-14(36)30-8-7-35-13(30)12(34)11(33)10(8)32/h8,10-13,32-34H,1-7H2,(H,28,31)(H,29,36)/t8-,10-,11+,12-,13+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sevilla Curated by ChEMBL					Assay Description Inhibition of human GCase assessed as formation of 4-methylumbelliferone from 4-methylumbelliferyl alpha-D-glucopyranoside at pH 7 in presence of bet...				J Med Chem 60: 1829-1842 (2017) Article DOI: 10.1021/acs.jmedchem.6b01550 BindingDB Entry DOI: 10.7270/Q2K939S5
					More data for this Ligand-Target Pair
Alpha-mannosidase (Canavalia ensiformis)	BDBM50525017 (CHEMBL4462117) Show SMILES [H][C@]12COC(=O)N1[C@H](NCCCCCCn1cc(COC[C@H]3O[C@@H]4O[C@]5([H])[C@@H](COC)O[C@H](O[C@]6([H])[C@@H](COC)O[C@H](O[C@]7([H])[C@@H](COC)O[C@H](O[C@]8([H])[C@@H](COC)O[C@]([H])(O[C@@H]9[C@@H](COC)O[C@H](O[C@]%10([H])[C@@H](COC)O[C@]([H])(O[C@H]3[C@H](OC)[C@H]4OC)[C@H](OC)[C@H]%10OC)[C@H](OC)[C@H]9OC)[C@H](OC)[C@H]8OC)[C@H](OC)[C@H]7OC)[C@H](OC)[C@H]6OC)[C@H](OC)[C@H]5OC)nn1)[C@@H](O)[C@@H](O)[C@@H]2O |r,@:6| Show InChI InChI=1S/C78H135N5O40/c1-88-30-39-49-56(94-7)64(102-15)72(111-39)119-51-41(32-90-3)113-74(66(104-17)58(51)96-9)121-53-43(34-92-5)115-76(68(106-19)60(53)98-11)123-55-45(36-108-28-37-27-82(81-80-37)26-24-22-21-23-25-79-70-48(86)47(85)46(84)38-29-109-78(87)83(38)70)116-77(69(107-20)62(55)100-13)122-54-44(35-93-6)114-75(67(105-18)61(54)99-12)120-52-42(33-91-4)112-73(65(103-16)59(52)97-10)118-50-40(31-89-2)110-71(117-49)63(101-14)57(50)95-8/h27,38-77,79,84-86H,21-26,28-36H2,1-20H3/t38-,39-,40-,41-,42-,43-,44-,45-,46-,47+,48+,49-,50-,51-,52-,53-,54-,55-,56+,57+,58+,59+,60+,61+,62+,63-,64-,65-,66-,67-,68-,69-,70+,71-,72-,73-,74-,75-,76-,77-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sevilla Curated by ChEMBL					Assay Description Inhibition of jack bean Lysosomal alpha-mannosidase assessed as residual hydrolytic activity after 10 to 30 mins by spectrophotometric analysis				J Med Chem 62: 5832-5843 (2019) Article DOI: 10.1021/acs.jmedchem.9b00153 BindingDB Entry DOI: 10.7270/Q22R3W4H
					More data for this Ligand-Target Pair
Alpha-mannosidase (Canavalia ensiformis)	BDBM50525014 (CHEMBL4475419) Show SMILES [H][C@]12COC(=O)N1[C@H](NCCCCCCn1cc(CCC)nn1)[C@@H](O)[C@@H](O)[C@@H]2O |r,@:6| Show InChI InChI=1S/C18H31N5O5/c1-2-7-12-10-22(21-20-12)9-6-4-3-5-8-19-17-16(26)15(25)14(24)13-11-28-18(27)23(13)17/h10,13-17,19,24-26H,2-9,11H2,1H3/t13-,14-,15+,16+,17+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sevilla Curated by ChEMBL					Assay Description Inhibition of jack bean Lysosomal alpha-mannosidase assessed as residual hydrolytic activity after 10 to 30 mins by spectrophotometric analysis				J Med Chem 62: 5832-5843 (2019) Article DOI: 10.1021/acs.jmedchem.9b00153 BindingDB Entry DOI: 10.7270/Q22R3W4H
					More data for this Ligand-Target Pair
Alpha-mannosidase (Canavalia ensiformis)	BDBM50525016 (CHEMBL4457217) Show SMILES [H][C@]12COC(=O)N1[C@H](NCCCCCCCCCN=[N+]=[N-])[C@@H](O)[C@@H](O)[C@@H]2O |r,@:6| Show InChI InChI=1S/C16H29N5O5/c17-20-19-9-7-5-3-1-2-4-6-8-18-15-14(24)13(23)12(22)11-10-26-16(25)21(11)15/h11-15,18,22-24H,1-10H2/t11-,12-,13+,14+,15+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sevilla Curated by ChEMBL					Assay Description Inhibition of jack bean Lysosomal alpha-mannosidase assessed as residual hydrolytic activity after 10 to 30 mins by spectrophotometric analysis				J Med Chem 62: 5832-5843 (2019) Article DOI: 10.1021/acs.jmedchem.9b00153 BindingDB Entry DOI: 10.7270/Q22R3W4H
					More data for this Ligand-Target Pair
Alpha-mannosidase (Canavalia ensiformis)	BDBM50525018 (CHEMBL4465842) Show SMILES [H][C@]12COC(=O)N1[C@H](NCCCCCCn1cc(COC[C@H]3O[C@@H]4O[C@]5([H])[C@@H](COCc6cn(CCCCCCN[C@@H]7[C@@H](O)[C@@H](O)[C@H](O)[C@@]8([H])COC(=O)N78)nn6)O[C@H](O[C@]6([H])[C@@H](COCc7cn(CCCCCCN[C@@H]8[C@@H](O)[C@@H](O)[C@H](O)[C@@]9([H])COC(=O)N89)nn7)O[C@H](O[C@]7([H])[C@@H](COCc8cn(CCCCCCN[C@@H]9[C@@H](O)[C@@H](O)[C@H](O)[C@@]%10([H])COC(=O)N9%10)nn8)O[C@H](O[C@]8([H])[C@@H](COCc9cn(CCCCCCN[C@@H]%10[C@@H](O)[C@@H](O)[C@H](O)[C@@]%11([H])COC(=O)N%10%11)nn9)O[C@]([H])(O[C@@H]9[C@@H](COCc%10cn(CCCCCCN[C@@H]%11[C@@H](O)[C@@H](O)[C@H](O)[C@@]%12([H])COC(=O)N%11%12)nn%10)O[C@H](O[C@]%10([H])[C@@H](COCc%11cn(CCCCCCN[C@@H]%12[C@@H](O)[C@@H](O)[C@H](O)[C@@]%13([H])COC(=O)N%12%13)nn%11)O[C@]([H])(O[C@H]3[C@H](OC)[C@H]4OC)[C@H](OC)[C@H]%10OC)[C@H](OC)[C@H]9OC)[C@H](OC)[C@H]8OC)[C@H](OC)[C@H]7OC)[C@H](OC)[C@H]6OC)[C@H](OC)[C@H]5OC)nn1)[C@@H](O)[C@@H](O)[C@@H]2O |r,@:6,54,89,124,159,194,229| Show InChI InChI=1S/C168H273N35O70/c1-232-134-127-99(78-246-64-85-57-190(183-176-85)50-36-22-15-29-43-169-148-120(218)113(211)106(204)92-71-253-162(225)197(92)148)260-155(141(134)239-8)268-128-100(79-247-65-86-58-191(184-177-86)51-37-23-16-30-44-170-149-121(219)114(212)107(205)93-72-254-163(226)198(93)149)262-157(143(241-10)135(128)233-2)270-130-102(81-249-67-88-60-193(186-179-88)53-39-25-18-32-46-172-151-123(221)116(214)109(207)95-74-256-165(228)200(95)151)264-159(145(243-12)137(130)235-4)272-132-104(83-251-69-90-62-195(188-181-90)55-41-27-20-34-48-174-153-125(223)118(216)111(209)97-76-258-167(230)202(97)153)266-161(147(245-14)139(132)237-6)273-133-105(84-252-70-91-63-196(189-182-91)56-42-28-21-35-49-175-154-126(224)119(217)112(210)98-77-259-168(231)203(98)154)265-160(146(244-13)140(133)238-7)271-131-103(82-250-68-89-61-194(187-180-89)54-40-26-19-33-47-173-152-124(222)117(215)110(208)96-75-257-166(229)201(96)152)263-158(144(242-11)138(131)236-5)269-129-101(261-156(267-127)142(240-9)136(129)234-3)80-248-66-87-59-192(185-178-87)52-38-24-17-31-45-171-150-122(220)115(213)108(206)94-73-255-164(227)199(94)150/h57-63,92-161,169-175,204-224H,15-56,64-84H2,1-14H3/t92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113+,114+,115+,116+,117+,118+,119+,120+,121+,122+,123+,124+,125+,126+,127-,128-,129-,130-,131-,132-,133-,134+,135+,136+,137+,138+,139+,140+,141-,142-,143-,144-,145-,146-,147-,148+,149+,150+,151+,152+,153+,154+,155-,156-,157-,158-,159-,160-,161-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sevilla Curated by ChEMBL					Assay Description Inhibition of jack bean Lysosomal alpha-mannosidase assessed as residual hydrolytic activity after 10 to 30 mins by spectrophotometric analysis				J Med Chem 62: 5832-5843 (2019) Article DOI: 10.1021/acs.jmedchem.9b00153 BindingDB Entry DOI: 10.7270/Q22R3W4H
					More data for this Ligand-Target Pair
Alpha-mannosidase (Canavalia ensiformis)	BDBM50525020 (CHEMBL4518572) Show SMILES [H][C@]12COC(=O)N1[C@H](NCCCCCCCCCNC(=O)OC(C)(C)C)[C@@H](O)[C@@H](O)[C@@H]2O |r,@:6| Show InChI InChI=1S/C21H39N3O7/c1-21(2,3)31-19(28)23-12-10-8-6-4-5-7-9-11-22-18-17(27)16(26)15(25)14-13-30-20(29)24(14)18/h14-18,22,25-27H,4-13H2,1-3H3,(H,23,28)/t14-,15-,16+,17+,18+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sevilla Curated by ChEMBL					Assay Description Inhibition of jack bean Lysosomal alpha-mannosidase assessed as residual hydrolytic activity after 10 to 30 mins by spectrophotometric analysis				J Med Chem 62: 5832-5843 (2019) Article DOI: 10.1021/acs.jmedchem.9b00153 BindingDB Entry DOI: 10.7270/Q22R3W4H
					More data for this Ligand-Target Pair
Alpha-mannosidase (Canavalia ensiformis)	BDBM50525015 (CHEMBL4435118) Show SMILES [H][C@]12COC(=O)N1[C@H](NCCCCCCN=[N+]=[N-])[C@@H](O)[C@@H](O)[C@@H]2O |r,@:6| Show InChI InChI=1S/C13H23N5O5/c14-17-16-6-4-2-1-3-5-15-12-11(21)10(20)9(19)8-7-23-13(22)18(8)12/h8-12,15,19-21H,1-7H2/t8-,9-,10+,11+,12+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sevilla Curated by ChEMBL					Assay Description Inhibition of jack bean Lysosomal alpha-mannosidase assessed as residual hydrolytic activity after 10 to 30 mins by spectrophotometric analysis				J Med Chem 62: 5832-5843 (2019) Article DOI: 10.1021/acs.jmedchem.9b00153 BindingDB Entry DOI: 10.7270/Q22R3W4H
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50236279 (CHEMBL4093241) Show SMILES [H][C@@]12CO[C@@]([H])([C@H](O)[C@@H](O)[C@@H]1O)N2C(=S)NCCCCCCCCCNC(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F |r,TLB:7:6:2.3:12,THB:11:10:2.3:12| Show InChI InChI=1S/C25H34F13N3O5S/c26-20(27,21(28,29)22(30,31)23(32,33)24(34,35)25(36,37)38)9-8-14(42)39-10-6-4-2-1-3-5-7-11-40-19(47)41-13-12-46-18(41)17(45)16(44)15(13)43/h13,15-18,43-45H,1-12H2,(H,39,42)(H,40,47)/t13-,15-,16+,17-,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sevilla Curated by ChEMBL					Assay Description Inhibition of human GCase assessed as formation of 4-methylumbelliferone from 4-methylumbelliferyl alpha-D-glucopyranoside at pH 7 in presence of bet...				J Med Chem 60: 1829-1842 (2017) Article DOI: 10.1021/acs.jmedchem.6b01550 BindingDB Entry DOI: 10.7270/Q2K939S5
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50236281 (CHEMBL4076141) Show SMILES [H][C@@]12CO[C@@]([H])([C@H](O)[C@@H](O)[C@@H]1O)N2C(=S)NCCCCCCCCCNC(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F |r,TLB:7:6:2.3:12,THB:11:10:2.3:12| Show InChI InChI=1S/C23H34F9N3O5S/c24-20(25,21(26,27)22(28,29)23(30,31)32)9-8-14(36)33-10-6-4-2-1-3-5-7-11-34-19(41)35-13-12-40-18(35)17(39)16(38)15(13)37/h13,15-18,37-39H,1-12H2,(H,33,36)(H,34,41)/t13-,15-,16+,17-,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sevilla Curated by ChEMBL					Assay Description Inhibition of human GCase assessed as formation of 4-methylumbelliferone from 4-methylumbelliferyl alpha-D-glucopyranoside at pH 7 in presence of bet...				J Med Chem 60: 1829-1842 (2017) Article DOI: 10.1021/acs.jmedchem.6b01550 BindingDB Entry DOI: 10.7270/Q2K939S5
					More data for this Ligand-Target Pair
Beta-galactosidase [24-677,R201C] (Homo sapiens (Human))	BDBM228800 (NOEV | Sapienic acid (SpA)) Show SMILES CCCCCCCCN[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O |t:10| Show InChI InChI=1S/C15H29NO4/c1-2-3-4-5-6-7-8-16-12-9-11(10-17)13(18)15(20)14(12)19/h9,12-20H,2-8,10H2,1H3/t12-,13+,14-,15-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	940	-35.8	n/a	n/a	n/a	n/a	n/a	4.5	37
The University of Tokyo					Assay Description β-Gal activity was measured by using 4-methylumbelliferyll-β-D-galactopyranoside in buffer B (0.15 M sodium citrate, pH 4.5, and 0.2 M NaCl...				J Biol Chem 289: 14560-8 (2014) Article DOI: 10.1074/jbc.M113.529529 BindingDB Entry DOI: 10.7270/Q2WH2NW4
					More data for this Ligand-Target Pair
Beta-galactosidase [24-677] (Homo sapiens (Human))	BDBM228800 (NOEV | Sapienic acid (SpA)) Show SMILES CCCCCCCCN[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O |t:10| Show InChI InChI=1S/C15H29NO4/c1-2-3-4-5-6-7-8-16-12-9-11(10-17)13(18)15(20)14(12)19/h9,12-20H,2-8,10H2,1H3/t12-,13+,14-,15-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.10E+3	-35.4	n/a	n/a	n/a	n/a	n/a	4.5	37
The University of Tokyo					Assay Description β-Gal activity was measured by using 4-methylumbelliferyll-β-D-galactopyranoside in buffer B (0.15 M sodium citrate, pH 4.5, and 0.2 M NaCl...				J Biol Chem 289: 14560-8 (2014) Article DOI: 10.1074/jbc.M113.529529 BindingDB Entry DOI: 10.7270/Q2WH2NW4
					More data for this Ligand-Target Pair
Beta-galactosidase [24-677,I51T] (Homo sapiens (Human))	BDBM228800 (NOEV | Sapienic acid (SpA)) Show SMILES CCCCCCCCN[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O |t:10| Show InChI InChI=1S/C15H29NO4/c1-2-3-4-5-6-7-8-16-12-9-11(10-17)13(18)15(20)14(12)19/h9,12-20H,2-8,10H2,1H3/t12-,13+,14-,15-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20E+3	-35.2	n/a	n/a	n/a	n/a	n/a	4.5	37
The University of Tokyo					Assay Description β-Gal activity was measured by using 4-methylumbelliferyll-β-D-galactopyranoside in buffer B (0.15 M sodium citrate, pH 4.5, and 0.2 M NaCl...				J Biol Chem 289: 14560-8 (2014) Article DOI: 10.1074/jbc.M113.529529 BindingDB Entry DOI: 10.7270/Q2WH2NW4
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50236280 (CHEMBL4100971) Show SMILES [H][C@@]12CO[C@@]([H])([C@H](O)[C@@H](O)[C@@H]1O)N2C(=S)NCCCCNC(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F |r,TLB:7:6:2.3:12,THB:11:10:2.3:12| Show InChI InChI=1S/C20H24F13N3O5S/c21-15(22,16(23,24)17(25,26)18(27,28)19(29,30)20(31,32)33)4-3-9(37)34-5-1-2-6-35-14(42)36-8-7-41-13(36)12(40)11(39)10(8)38/h8,10-13,38-40H,1-7H2,(H,34,37)(H,35,42)/t8-,10-,11+,12-,13+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sevilla Curated by ChEMBL					Assay Description In vitro inhibitory activity against human whole blood Prostaglandin G/H synthase 1				J Med Chem 60: 1829-1842 (2017) Article DOI: 10.1021/acs.jmedchem.6b01550 BindingDB Entry DOI: 10.7270/Q2K939S5
					More data for this Ligand-Target Pair
Alpha-galactosidase (Coffea arabica (Coffee beans))	BDBM50375511 (CHEMBL406973) Show SMILES OC[C@@H]1NC[C@H](O)[C@H]1O Show InChI InChI=1S/C5H11NO3/c7-2-3-5(9)4(8)1-6-3/h3-9H,1-2H2/t3-,4-,5-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Seville Curated by ChEMBL					Assay Description Inhibition of green coffee bean alpha-galactosidase using o-nitrophenyl alpha-D-galactopyranoside after 10 to 30 mins by spectrophotometric method				Eur J Med Chem 121: 880-891 (2016) Article DOI: 10.1016/j.ejmech.2015.08.038 BindingDB Entry DOI: 10.7270/Q2FT8P07
					More data for this Ligand-Target Pair
Alpha-mannosidase (Canavalia ensiformis)	BDBM50525019 (CHEMBL4471561) Show SMILES [H][C@]12COC(=O)N1[C@H](NCCCCCCCC)[C@@H](O)[C@@H](O)[C@@H]2O |r,@:6| Show InChI InChI=1S/C15H28N2O5/c1-2-3-4-5-6-7-8-16-14-13(20)12(19)11(18)10-9-22-15(21)17(10)14/h10-14,16,18-20H,2-9H2,1H3/t10-,11-,12+,13+,14+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sevilla Curated by ChEMBL					Assay Description Inhibition of jack bean Lysosomal alpha-mannosidase assessed as residual hydrolytic activity after 10 to 30 mins by spectrophotometric analysis				J Med Chem 62: 5832-5843 (2019) Article DOI: 10.1021/acs.jmedchem.9b00153 BindingDB Entry DOI: 10.7270/Q22R3W4H
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50236279 (CHEMBL4093241) Show SMILES [H][C@@]12CO[C@@]([H])([C@H](O)[C@@H](O)[C@@H]1O)N2C(=S)NCCCCCCCCCNC(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F |r,TLB:7:6:2.3:12,THB:11:10:2.3:12| Show InChI InChI=1S/C25H34F13N3O5S/c26-20(27,21(28,29)22(30,31)23(32,33)24(34,35)25(36,37)38)9-8-14(42)39-10-6-4-2-1-3-5-7-11-40-19(47)41-13-12-46-18(41)17(45)16(44)15(13)43/h13,15-18,43-45H,1-12H2,(H,39,42)(H,40,47)/t13-,15-,16+,17-,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sevilla Curated by ChEMBL					Assay Description Inhibition of human GCase assessed as formation of 4-methylumbelliferone from 4-methylumbelliferyl alpha-D-glucopyranoside at pH 7 by luminescence sp...				J Med Chem 60: 1829-1842 (2017) Article DOI: 10.1021/acs.jmedchem.6b01550 BindingDB Entry DOI: 10.7270/Q2K939S5
					More data for this Ligand-Target Pair
Beta-galactosidase (Escherichia coli (Enterobacteria))	BDBM50375511 (CHEMBL406973) Show SMILES OC[C@@H]1NC[C@H](O)[C@H]1O Show InChI InChI=1S/C5H11NO3/c7-2-3-5(9)4(8)1-6-3/h3-9H,1-2H2/t3-,4-,5-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Seville Curated by ChEMBL					Assay Description Inhibition of Escherichia coli beta-galactosidase using o-nitrophenyl beta-D-galactopyranoside after 10 to 30 mins by spectrophotometric method				Eur J Med Chem 121: 880-891 (2016) Article DOI: 10.1016/j.ejmech.2015.08.038 BindingDB Entry DOI: 10.7270/Q2FT8P07
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50236278 (CHEMBL4077472) Show SMILES [H][C@@]12CO[C@@]([H])([C@H](O)[C@@H](O)[C@@H]1O)N2C(=S)NCCCCNC(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F |r,TLB:7:6:2.3:12,THB:11:10:2.3:12| Show InChI InChI=1S/C18H24F9N3O5S/c19-15(20,16(21,22)17(23,24)18(25,26)27)4-3-9(31)28-5-1-2-6-29-14(36)30-8-7-35-13(30)12(34)11(33)10(8)32/h8,10-13,32-34H,1-7H2,(H,28,31)(H,29,36)/t8-,10-,11+,12-,13+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sevilla Curated by ChEMBL					Assay Description Inhibition of human GCase assessed as formation of 4-methylumbelliferone from 4-methylumbelliferyl alpha-D-glucopyranoside at pH 5 in presence of bet...				J Med Chem 60: 1829-1842 (2017) Article DOI: 10.1021/acs.jmedchem.6b01550 BindingDB Entry DOI: 10.7270/Q2K939S5
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Bos taurus)	BDBM50101405 (CHEMBL3393931) Show SMILES [H][C@]12OC(SCCCCCCCCCCCCCCCCO)=N[C@@]1([H])O[C@H](CO)[C@H](O)[C@@H]2O |r,c:21| Show InChI InChI=1S/C23H43NO6S/c25-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-31-23-24-22-21(30-23)20(28)19(27)18(17-26)29-22/h18-22,25-28H,1-17H2/t18-,19+,20+,21-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.3	n/a
Universitat Rovira i Virgili Curated by ChEMBL					Assay Description Inhibition of bovine liver beta-glucosidase at pH 7.3 incubated for 10 to 30 mins using beta-D-glycopyranoside substrate by spectrophotometry				Eur J Med Chem 90: 258-66 (2015) Article DOI: 10.1016/j.ejmech.2014.11.002 BindingDB Entry DOI: 10.7270/Q2H996ZT
					More data for this Ligand-Target Pair
Alpha-mannosidase (Canavalia ensiformis)	BDBM50525021 (CHEMBL4483772) Show SMILES [H][C@]12COC(=O)N1[C@H](N)[C@@H](O)[C@@H](O)[C@@H]2O |r| Show InChI InChI=1S/C7H12N2O5/c8-6-5(12)4(11)3(10)2-1-14-7(13)9(2)6/h2-6,10-12H,1,8H2/t2-,3-,4+,5+,6+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sevilla Curated by ChEMBL					Assay Description Inhibition of jack bean Lysosomal alpha-mannosidase assessed as residual hydrolytic activity after 10 to 30 mins by spectrophotometric analysis				J Med Chem 62: 5832-5843 (2019) Article DOI: 10.1021/acs.jmedchem.9b00153 BindingDB Entry DOI: 10.7270/Q22R3W4H
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50236279 (CHEMBL4093241) Show SMILES [H][C@@]12CO[C@@]([H])([C@H](O)[C@@H](O)[C@@H]1O)N2C(=S)NCCCCCCCCCNC(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F |r,TLB:7:6:2.3:12,THB:11:10:2.3:12| Show InChI InChI=1S/C25H34F13N3O5S/c26-20(27,21(28,29)22(30,31)23(32,33)24(34,35)25(36,37)38)9-8-14(42)39-10-6-4-2-1-3-5-7-11-40-19(47)41-13-12-46-18(41)17(45)16(44)15(13)43/h13,15-18,43-45H,1-12H2,(H,39,42)(H,40,47)/t13-,15-,16+,17-,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sevilla Curated by ChEMBL					Assay Description In vitro inhibitory activity against human whole blood Prostaglandin G/H synthase 2				J Med Chem 60: 1829-1842 (2017) Article DOI: 10.1021/acs.jmedchem.6b01550 BindingDB Entry DOI: 10.7270/Q2K939S5
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50236281 (CHEMBL4076141) Show SMILES [H][C@@]12CO[C@@]([H])([C@H](O)[C@@H](O)[C@@H]1O)N2C(=S)NCCCCCCCCCNC(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F |r,TLB:7:6:2.3:12,THB:11:10:2.3:12| Show InChI InChI=1S/C23H34F9N3O5S/c24-20(25,21(26,27)22(28,29)23(30,31)32)9-8-14(36)33-10-6-4-2-1-3-5-7-11-34-19(41)35-13-12-40-18(35)17(39)16(38)15(13)37/h13,15-18,37-39H,1-12H2,(H,33,36)(H,34,41)/t13-,15-,16+,17-,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sevilla Curated by ChEMBL					Assay Description Inhibition of human GCase assessed as formation of 4-methylumbelliferone from 4-methylumbelliferyl alpha-D-glucopyranoside at pH 5 in presence of bet...				J Med Chem 60: 1829-1842 (2017) Article DOI: 10.1021/acs.jmedchem.6b01550 BindingDB Entry DOI: 10.7270/Q2K939S5
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50236281 (CHEMBL4076141) Show SMILES [H][C@@]12CO[C@@]([H])([C@H](O)[C@@H](O)[C@@H]1O)N2C(=S)NCCCCCCCCCNC(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F |r,TLB:7:6:2.3:12,THB:11:10:2.3:12| Show InChI InChI=1S/C23H34F9N3O5S/c24-20(25,21(26,27)22(28,29)23(30,31)32)9-8-14(36)33-10-6-4-2-1-3-5-7-11-34-19(41)35-13-12-40-18(35)17(39)16(38)15(13)37/h13,15-18,37-39H,1-12H2,(H,33,36)(H,34,41)/t13-,15-,16+,17-,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	9.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sevilla Curated by ChEMBL					Assay Description In vitro inhibitory activity against human whole blood Prostaglandin G/H synthase 1				J Med Chem 60: 1829-1842 (2017) Article DOI: 10.1021/acs.jmedchem.6b01550 BindingDB Entry DOI: 10.7270/Q2K939S5
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Bos taurus)	BDBM50101398 (CHEMBL3393930) Show SMILES [H][C@]12O[C@H](CO)[C@@H](O)[C@H](O)[C@@]1([H])OC(SCCCCCCCCCCCCCCCCF)=N2 |r,c:32| Show InChI InChI=1S/C23H42FNO5S/c24-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-31-23-25-22-21(30-23)20(28)19(27)18(17-26)29-22/h18-22,26-28H,1-17H2/t18-,19-,20+,21-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.11E+4	n/a	n/a	n/a	n/a	n/a	n/a	7.3	n/a
Universitat Rovira i Virgili Curated by ChEMBL					Assay Description Inhibition of bovine liver beta-glucosidase at pH 7.3 incubated for 10 to 30 mins using beta-D-glycopyranoside substrate by spectrophotometry				Eur J Med Chem 90: 258-66 (2015) Article DOI: 10.1016/j.ejmech.2014.11.002 BindingDB Entry DOI: 10.7270/Q2H996ZT
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Bos taurus)	BDBM50101399 (CHEMBL3393929) Show SMILES [H][C@]12OC(SCCCCCCCCCCCCCCCCSC3=N[C@@]4([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@@]4([H])O3)=N[C@@]1([H])O[C@H](CO)[C@@H](O)[C@@H]2O |r,c:38,t:22| Show InChI InChI=1S/C30H52N2O10S2/c33-17-19-21(35)23(37)25-27(39-19)31-29(41-25)43-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-44-30-32-28-26(42-30)24(38)22(36)20(18-34)40-28/h19-28,33-38H,1-18H2/t19-,20-,21-,22-,23+,24+,25-,26-,27+,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.18E+4	n/a	n/a	n/a	n/a	n/a	n/a	7.3	n/a
Universitat Rovira i Virgili Curated by ChEMBL					Assay Description Inhibition of bovine liver beta-glucosidase at pH 7.3 incubated for 10 to 30 mins using beta-D-glycopyranoside substrate by spectrophotometry				Eur J Med Chem 90: 258-66 (2015) Article DOI: 10.1016/j.ejmech.2014.11.002 BindingDB Entry DOI: 10.7270/Q2H996ZT
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50236280 (CHEMBL4100971) Show SMILES [H][C@@]12CO[C@@]([H])([C@H](O)[C@@H](O)[C@@H]1O)N2C(=S)NCCCCNC(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F |r,TLB:7:6:2.3:12,THB:11:10:2.3:12| Show InChI InChI=1S/C20H24F13N3O5S/c21-15(22,16(23,24)17(25,26)18(27,28)19(29,30)20(31,32)33)4-3-9(37)34-5-1-2-6-35-14(42)36-8-7-41-13(36)12(40)11(39)10(8)38/h8,10-13,38-40H,1-7H2,(H,34,37)(H,35,42)/t8-,10-,11+,12-,13+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.19E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sevilla Curated by ChEMBL					Assay Description Inhibition of human GCase assessed as formation of 4-methylumbelliferone from 4-methylumbelliferyl alpha-D-glucopyranoside at pH 7 by luminescence sp...				J Med Chem 60: 1829-1842 (2017) Article DOI: 10.1021/acs.jmedchem.6b01550 BindingDB Entry DOI: 10.7270/Q2K939S5
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Bos taurus)	BDBM50101401 (CHEMBL3393928) Show SMILES [H][C@]12O[C@H](CO)[C@@H](O)[C@H](O)[C@@]1([H])OC(SCCCCCCCCCCCCCCCCI)=N2 |r,c:32| Show InChI InChI=1S/C23H42INO5S/c24-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-31-23-25-22-21(30-23)20(28)19(27)18(17-26)29-22/h18-22,26-28H,1-17H2/t18-,19-,20+,21-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.93E+4	n/a	n/a	n/a	n/a	n/a	n/a	7.3	n/a
Universitat Rovira i Virgili Curated by ChEMBL					Assay Description Inhibition of bovine liver beta-glucosidase at pH 7.3 incubated for 10 to 30 mins using beta-D-glycopyranoside substrate by spectrophotometry				Eur J Med Chem 90: 258-66 (2015) Article DOI: 10.1016/j.ejmech.2014.11.002 BindingDB Entry DOI: 10.7270/Q2H996ZT
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50236278 (CHEMBL4077472) Show SMILES [H][C@@]12CO[C@@]([H])([C@H](O)[C@@H](O)[C@@H]1O)N2C(=S)NCCCCNC(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F |r,TLB:7:6:2.3:12,THB:11:10:2.3:12| Show InChI InChI=1S/C18H24F9N3O5S/c19-15(20,16(21,22)17(23,24)18(25,26)27)4-3-9(31)28-5-1-2-6-29-14(36)30-8-7-35-13(30)12(34)11(33)10(8)32/h8,10-13,32-34H,1-7H2,(H,28,31)(H,29,36)/t8-,10-,11+,12-,13+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.08E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sevilla Curated by ChEMBL					Assay Description Inhibition of human GCase assessed as formation of 4-methylumbelliferone from 4-methylumbelliferyl alpha-D-glucopyranoside at pH 5 by luminescence sp...				J Med Chem 60: 1829-1842 (2017) Article DOI: 10.1021/acs.jmedchem.6b01550 BindingDB Entry DOI: 10.7270/Q2K939S5
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Bos taurus)	BDBM50101403 (CHEMBL3393932) Show SMILES [H][C@]12O[C@H](CO)[C@@H](O)[C@H](O)[C@@]1([H])OC(SCCCCCCCCCCCCCCCC(O)=O)=N2 |r,c:33| Show InChI InChI=1S/C23H41NO7S/c25-16-17-19(28)20(29)21-22(30-17)24-23(31-21)32-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-18(26)27/h17,19-22,25,28-29H,1-16H2,(H,26,27)/t17-,19-,20+,21-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.26E+4	n/a	n/a	n/a	n/a	n/a	n/a	7.3	n/a
Universitat Rovira i Virgili Curated by ChEMBL					Assay Description Inhibition of bovine liver beta-glucosidase at pH 7.3 incubated for 10 to 30 mins using beta-D-glycopyranoside substrate by spectrophotometry				Eur J Med Chem 90: 258-66 (2015) Article DOI: 10.1016/j.ejmech.2014.11.002 BindingDB Entry DOI: 10.7270/Q2H996ZT
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Bos taurus)	BDBM50101402 (CHEMBL3393927) Show SMILES [H][C@]12OC(SCCCCCCCCCCCCCCCC(=O)OC)=N[C@@]1([H])O[C@H](CO)[C@@H](O)[C@@H]2O |r,c:23| Show InChI InChI=1S/C24H43NO7S/c1-30-19(27)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-33-24-25-23-22(32-24)21(29)20(28)18(17-26)31-23/h18,20-23,26,28-29H,2-17H2,1H3/t18-,20-,21+,22-,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.64E+4	n/a	n/a	n/a	n/a	n/a	n/a	7.3	n/a
Universitat Rovira i Virgili Curated by ChEMBL					Assay Description Inhibition of bovine liver beta-glucosidase at pH 7.3 incubated for 10 to 30 mins using beta-D-glycopyranoside substrate by spectrophotometry				Eur J Med Chem 90: 258-66 (2015) Article DOI: 10.1016/j.ejmech.2014.11.002 BindingDB Entry DOI: 10.7270/Q2H996ZT
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50236279 (CHEMBL4093241) Show SMILES [H][C@@]12CO[C@@]([H])([C@H](O)[C@@H](O)[C@@H]1O)N2C(=S)NCCCCCCCCCNC(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F |r,TLB:7:6:2.3:12,THB:11:10:2.3:12| Show InChI InChI=1S/C25H34F13N3O5S/c26-20(27,21(28,29)22(30,31)23(32,33)24(34,35)25(36,37)38)9-8-14(42)39-10-6-4-2-1-3-5-7-11-40-19(47)41-13-12-46-18(41)17(45)16(44)15(13)43/h13,15-18,43-45H,1-12H2,(H,39,42)(H,40,47)/t13-,15-,16+,17-,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.26E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sevilla Curated by ChEMBL					Assay Description Inhibition of human GCase assessed as formation of 4-methylumbelliferone from 4-methylumbelliferyl alpha-D-glucopyranoside at pH 5 by luminescence sp...				J Med Chem 60: 1829-1842 (2017) Article DOI: 10.1021/acs.jmedchem.6b01550 BindingDB Entry DOI: 10.7270/Q2K939S5
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50236278 (CHEMBL4077472) Show SMILES [H][C@@]12CO[C@@]([H])([C@H](O)[C@@H](O)[C@@H]1O)N2C(=S)NCCCCNC(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F |r,TLB:7:6:2.3:12,THB:11:10:2.3:12| Show InChI InChI=1S/C18H24F9N3O5S/c19-15(20,16(21,22)17(23,24)18(25,26)27)4-3-9(31)28-5-1-2-6-29-14(36)30-8-7-35-13(30)12(34)11(33)10(8)32/h8,10-13,32-34H,1-7H2,(H,28,31)(H,29,36)/t8-,10-,11+,12-,13+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sevilla Curated by ChEMBL					Assay Description Inhibition of human GCase assessed as formation of 4-methylumbelliferone from 4-methylumbelliferyl alpha-D-glucopyranoside at pH 7 by luminescence sp...				J Med Chem 60: 1829-1842 (2017) Article DOI: 10.1021/acs.jmedchem.6b01550 BindingDB Entry DOI: 10.7270/Q2K939S5
					More data for this Ligand-Target Pair
Beta-galactosidase [24-677,I51T] (Homo sapiens (Human))	BDBM50163440 ((2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-tr...) Show SMILES OC[C@H]1NC[C@H](O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5+,6-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	4.47E+4	-25.8	n/a	n/a	n/a	n/a	n/a	4.5	37
The University of Tokyo					Assay Description β-Gal activity was measured by using 4-methylumbelliferyll-β-D-galactopyranoside in buffer B (0.15 M sodium citrate, pH 4.5, and 0.2 M NaCl...				J Biol Chem 289: 14560-8 (2014) Article DOI: 10.1074/jbc.M113.529529 BindingDB Entry DOI: 10.7270/Q2WH2NW4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Lysosomal acid glucosylceramidase (Bos taurus)	BDBM50101402 (CHEMBL3393927) Show SMILES [H][C@]12OC(SCCCCCCCCCCCCCCCC(=O)OC)=N[C@@]1([H])O[C@H](CO)[C@@H](O)[C@@H]2O |r,c:23| Show InChI InChI=1S/C24H43NO7S/c1-30-19(27)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-33-24-25-23-22(32-24)21(29)20(28)18(17-26)31-23/h18,20-23,26,28-29H,2-17H2,1H3/t18-,20-,21+,22-,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	5.5	n/a
Universitat Rovira i Virgili Curated by ChEMBL					Assay Description Inhibition of bovine liver beta-glucosidase at pH 5.5 incubated for 10 to 30 mins using beta-D-glycopyranoside substrate by spectrophotometry				Eur J Med Chem 90: 258-66 (2015) Article DOI: 10.1016/j.ejmech.2014.11.002 BindingDB Entry DOI: 10.7270/Q2H996ZT
					More data for this Ligand-Target Pair
Beta-galactosidase [24-677,R201C] (Homo sapiens (Human))	BDBM50163440 ((2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-tr...) Show SMILES OC[C@H]1NC[C@H](O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5+,6-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	4.90E+4	-25.6	n/a	n/a	n/a	n/a	n/a	4.5	37
The University of Tokyo					Assay Description β-Gal activity was measured by using 4-methylumbelliferyll-β-D-galactopyranoside in buffer B (0.15 M sodium citrate, pH 4.5, and 0.2 M NaCl...				J Biol Chem 289: 14560-8 (2014) Article DOI: 10.1074/jbc.M113.529529 BindingDB Entry DOI: 10.7270/Q2WH2NW4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-galactosidase [24-677,R201C] (Homo sapiens (Human))	BDBM228802 (5N,6S-(N'-butyliminomethylidene)-6-thio-1-deox...) Show SMILES CCCC\N=C1/SC[C@@H]2[C@H](O)[C@H](O)[C@@H](O)CN12 Show InChI InChI=1S/C11H20N2O3S/c1-2-3-4-12-11-13-5-8(14)10(16)9(15)7(13)6-17-11/h7-10,14-16H,2-6H2,1H3/b12-11-/t7-,8+,9+,10-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	5.33E+4	-25.4	n/a	n/a	n/a	n/a	n/a	4.5	37
The University of Tokyo					Assay Description β-Gal activity was measured by using 4-methylumbelliferyll-β-D-galactopyranoside in buffer B (0.15 M sodium citrate, pH 4.5, and 0.2 M NaCl...				J Biol Chem 289: 14560-8 (2014) Article DOI: 10.1074/jbc.M113.529529 BindingDB Entry DOI: 10.7270/Q2WH2NW4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Lysosomal acid glucosylceramidase (Bos taurus)	BDBM50101403 (CHEMBL3393932) Show SMILES [H][C@]12O[C@H](CO)[C@@H](O)[C@H](O)[C@@]1([H])OC(SCCCCCCCCCCCCCCCC(O)=O)=N2 |r,c:33| Show InChI InChI=1S/C23H41NO7S/c25-16-17-19(28)20(29)21-22(30-17)24-23(31-21)32-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-18(26)27/h17,19-22,25,28-29H,1-16H2,(H,26,27)/t17-,19-,20+,21-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	5.5	n/a
Universitat Rovira i Virgili Curated by ChEMBL					Assay Description Inhibition of bovine liver beta-glucosidase at pH 5.5 incubated for 10 to 30 mins using beta-D-glycopyranoside substrate by spectrophotometry				Eur J Med Chem 90: 258-66 (2015) Article DOI: 10.1016/j.ejmech.2014.11.002 BindingDB Entry DOI: 10.7270/Q2H996ZT
					More data for this Ligand-Target Pair
Beta-galactosidase [24-677] (Homo sapiens (Human))	BDBM50163440 ((2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-tr...) Show SMILES OC[C@H]1NC[C@H](O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5+,6-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	6.18E+4	-25.0	n/a	n/a	n/a	n/a	n/a	4.5	37
The University of Tokyo					Assay Description β-Gal activity was measured by using 4-methylumbelliferyll-β-D-galactopyranoside in buffer B (0.15 M sodium citrate, pH 4.5, and 0.2 M NaCl...				J Biol Chem 289: 14560-8 (2014) Article DOI: 10.1074/jbc.M113.529529 BindingDB Entry DOI: 10.7270/Q2WH2NW4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Lysosomal acid glucosylceramidase (Bos taurus)	BDBM50101405 (CHEMBL3393931) Show SMILES [H][C@]12OC(SCCCCCCCCCCCCCCCCO)=N[C@@]1([H])O[C@H](CO)[C@H](O)[C@@H]2O |r,c:21| Show InChI InChI=1S/C23H43NO6S/c25-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-31-23-24-22-21(30-23)20(28)19(27)18(17-26)29-22/h18-22,25-28H,1-17H2/t18-,19+,20+,21-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	5.5	n/a
Universitat Rovira i Virgili Curated by ChEMBL					Assay Description Inhibition of bovine liver beta-glucosidase at pH 5.5 incubated for 10 to 30 mins using beta-D-glycopyranoside substrate by spectrophotometry				Eur J Med Chem 90: 258-66 (2015) Article DOI: 10.1016/j.ejmech.2014.11.002 BindingDB Entry DOI: 10.7270/Q2H996ZT
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Bos taurus)	BDBM50101398 (CHEMBL3393930) Show SMILES [H][C@]12O[C@H](CO)[C@@H](O)[C@H](O)[C@@]1([H])OC(SCCCCCCCCCCCCCCCCF)=N2 |r,c:32| Show InChI InChI=1S/C23H42FNO5S/c24-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-31-23-25-22-21(30-23)20(28)19(27)18(17-26)29-22/h18-22,26-28H,1-17H2/t18-,19-,20+,21-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	5.5	n/a
Universitat Rovira i Virgili Curated by ChEMBL					Assay Description Inhibition of bovine liver beta-glucosidase at pH 5.5 incubated for 10 to 30 mins using beta-D-glycopyranoside substrate by spectrophotometry				Eur J Med Chem 90: 258-66 (2015) Article DOI: 10.1016/j.ejmech.2014.11.002 BindingDB Entry DOI: 10.7270/Q2H996ZT
					More data for this Ligand-Target Pair
Beta-galactosidase [24-677] (Homo sapiens (Human))	BDBM228802 (5N,6S-(N'-butyliminomethylidene)-6-thio-1-deox...) Show SMILES CCCC\N=C1/SC[C@@H]2[C@H](O)[C@H](O)[C@@H](O)CN12 Show InChI InChI=1S/C11H20N2O3S/c1-2-3-4-12-11-13-5-8(14)10(16)9(15)7(13)6-17-11/h7-10,14-16H,2-6H2,1H3/b12-11-/t7-,8+,9+,10-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	6.83E+4	-24.7	n/a	n/a	n/a	n/a	n/a	4.5	37
The University of Tokyo					Assay Description β-Gal activity was measured by using 4-methylumbelliferyll-β-D-galactopyranoside in buffer B (0.15 M sodium citrate, pH 4.5, and 0.2 M NaCl...				J Biol Chem 289: 14560-8 (2014) Article DOI: 10.1074/jbc.M113.529529 BindingDB Entry DOI: 10.7270/Q2WH2NW4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-galactosidase [24-677,I51T] (Homo sapiens (Human))	BDBM228802 (5N,6S-(N'-butyliminomethylidene)-6-thio-1-deox...) Show SMILES CCCC\N=C1/SC[C@@H]2[C@H](O)[C@H](O)[C@@H](O)CN12 Show InChI InChI=1S/C11H20N2O3S/c1-2-3-4-12-11-13-5-8(14)10(16)9(15)7(13)6-17-11/h7-10,14-16H,2-6H2,1H3/b12-11-/t7-,8+,9+,10-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	6.88E+4	-24.7	n/a	n/a	n/a	n/a	n/a	4.5	37
The University of Tokyo					Assay Description β-Gal activity was measured by using 4-methylumbelliferyll-β-D-galactopyranoside in buffer B (0.15 M sodium citrate, pH 4.5, and 0.2 M NaCl...				J Biol Chem 289: 14560-8 (2014) Article DOI: 10.1074/jbc.M113.529529 BindingDB Entry DOI: 10.7270/Q2WH2NW4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50236281 (CHEMBL4076141) Show SMILES [H][C@@]12CO[C@@]([H])([C@H](O)[C@@H](O)[C@@H]1O)N2C(=S)NCCCCCCCCCNC(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F |r,TLB:7:6:2.3:12,THB:11:10:2.3:12| Show InChI InChI=1S/C23H34F9N3O5S/c24-20(25,21(26,27)22(28,29)23(30,31)32)9-8-14(36)33-10-6-4-2-1-3-5-7-11-34-19(41)35-13-12-40-18(35)17(39)16(38)15(13)37/h13,15-18,37-39H,1-12H2,(H,33,36)(H,34,41)/t13-,15-,16+,17-,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sevilla Curated by ChEMBL					Assay Description Inhibition of human GCase assessed as formation of 4-methylumbelliferone from 4-methylumbelliferyl alpha-D-glucopyranoside at pH 5 by luminescence sp...				J Med Chem 60: 1829-1842 (2017) Article DOI: 10.1021/acs.jmedchem.6b01550 BindingDB Entry DOI: 10.7270/Q2K939S5
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50236280 (CHEMBL4100971) Show SMILES [H][C@@]12CO[C@@]([H])([C@H](O)[C@@H](O)[C@@H]1O)N2C(=S)NCCCCNC(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F |r,TLB:7:6:2.3:12,THB:11:10:2.3:12| Show InChI InChI=1S/C20H24F13N3O5S/c21-15(22,16(23,24)17(25,26)18(27,28)19(29,30)20(31,32)33)4-3-9(37)34-5-1-2-6-35-14(42)36-8-7-41-13(36)12(40)11(39)10(8)38/h8,10-13,38-40H,1-7H2,(H,34,37)(H,35,42)/t8-,10-,11+,12-,13+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	9.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sevilla Curated by ChEMBL					Assay Description In vitro inhibitory activity against human whole blood Prostaglandin G/H synthase 1				J Med Chem 60: 1829-1842 (2017) Article DOI: 10.1021/acs.jmedchem.6b01550 BindingDB Entry DOI: 10.7270/Q2K939S5
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Bos taurus)	BDBM50101401 (CHEMBL3393928) Show SMILES [H][C@]12O[C@H](CO)[C@@H](O)[C@H](O)[C@@]1([H])OC(SCCCCCCCCCCCCCCCCI)=N2 |r,c:32| Show InChI InChI=1S/C23H42INO5S/c24-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-31-23-25-22-21(30-23)20(28)19(27)18(17-26)29-22/h18-22,26-28H,1-17H2/t18-,19-,20+,21-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	9.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	5.5	n/a
Universitat Rovira i Virgili Curated by ChEMBL					Assay Description Inhibition of bovine liver beta-glucosidase at pH 5.5 incubated for 10 to 30 mins using beta-D-glycopyranoside substrate by spectrophotometry				Eur J Med Chem 90: 258-66 (2015) Article DOI: 10.1016/j.ejmech.2014.11.002 BindingDB Entry DOI: 10.7270/Q2H996ZT
					More data for this Ligand-Target Pair
Alpha-galactosidase (Coffea arabica (Coffee beans))	BDBM50236280 (CHEMBL4100971) Show SMILES [H][C@@]12CO[C@@]([H])([C@H](O)[C@@H](O)[C@@H]1O)N2C(=S)NCCCCNC(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F |r,TLB:7:6:2.3:12,THB:11:10:2.3:12| Show InChI InChI=1S/C20H24F13N3O5S/c21-15(22,16(23,24)17(25,26)18(27,28)19(29,30)20(31,32)33)4-3-9(37)34-5-1-2-6-35-14(42)36-8-7-41-13(36)12(40)11(39)10(8)38/h8,10-13,38-40H,1-7H2,(H,34,37)(H,35,42)/t8-,10-,11+,12-,13+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sevilla Curated by ChEMBL					Assay Description Inhibition of green coffee bean alpha-galactosidase using beta-D-glycopyranoside after 10 to 30 mins by spectrophotometry				J Med Chem 60: 1829-1842 (2017) Article DOI: 10.1021/acs.jmedchem.6b01550 BindingDB Entry DOI: 10.7270/Q2K939S5
					More data for this Ligand-Target Pair
Alpha-galactosidase (Coffea arabica (Coffee beans))	BDBM50236278 (CHEMBL4077472) Show SMILES [H][C@@]12CO[C@@]([H])([C@H](O)[C@@H](O)[C@@H]1O)N2C(=S)NCCCCNC(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F |r,TLB:7:6:2.3:12,THB:11:10:2.3:12| Show InChI InChI=1S/C18H24F9N3O5S/c19-15(20,16(21,22)17(23,24)18(25,26)27)4-3-9(31)28-5-1-2-6-29-14(36)30-8-7-35-13(30)12(34)11(33)10(8)32/h8,10-13,32-34H,1-7H2,(H,28,31)(H,29,36)/t8-,10-,11+,12-,13+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sevilla Curated by ChEMBL					Assay Description Inhibition of green coffee bean alpha-galactosidase using beta-D-glycopyranoside after 10 to 30 mins by spectrophotometry				J Med Chem 60: 1829-1842 (2017) Article DOI: 10.1021/acs.jmedchem.6b01550 BindingDB Entry DOI: 10.7270/Q2K939S5
					More data for this Ligand-Target Pair
Alpha-mannosidase (Canavalia ensiformis)	BDBM50236278 (CHEMBL4077472) Show SMILES [H][C@@]12CO[C@@]([H])([C@H](O)[C@@H](O)[C@@H]1O)N2C(=S)NCCCCNC(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F |r,TLB:7:6:2.3:12,THB:11:10:2.3:12| Show InChI InChI=1S/C18H24F9N3O5S/c19-15(20,16(21,22)17(23,24)18(25,26)27)4-3-9(31)28-5-1-2-6-29-14(36)30-8-7-35-13(30)12(34)11(33)10(8)32/h8,10-13,32-34H,1-7H2,(H,28,31)(H,29,36)/t8-,10-,11+,12-,13+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sevilla Curated by ChEMBL					Assay Description Binding affinity towards dopamine transporter using [3H]- mazindol as radioligand in rat striatal membranes				J Med Chem 60: 1829-1842 (2017) Article DOI: 10.1021/acs.jmedchem.6b01550 BindingDB Entry DOI: 10.7270/Q2K939S5
					More data for this Ligand-Target Pair
Alpha-mannosidase (Canavalia ensiformis)	BDBM50236280 (CHEMBL4100971) Show SMILES [H][C@@]12CO[C@@]([H])([C@H](O)[C@@H](O)[C@@H]1O)N2C(=S)NCCCCNC(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F |r,TLB:7:6:2.3:12,THB:11:10:2.3:12| Show InChI InChI=1S/C20H24F13N3O5S/c21-15(22,16(23,24)17(25,26)18(27,28)19(29,30)20(31,32)33)4-3-9(37)34-5-1-2-6-35-14(42)36-8-7-41-13(36)12(40)11(39)10(8)38/h8,10-13,38-40H,1-7H2,(H,34,37)(H,35,42)/t8-,10-,11+,12-,13+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sevilla Curated by ChEMBL					Assay Description Inhibition of jack bean alpha-mannosidase using beta-D-glycopyranoside after 10 to 30 mins by spectrophotometry				J Med Chem 60: 1829-1842 (2017) Article DOI: 10.1021/acs.jmedchem.6b01550 BindingDB Entry DOI: 10.7270/Q2K939S5
					More data for this Ligand-Target Pair

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