Compile Data Set for Download or QSAR

Found 195 hits with Last Name = 'min' and Initial = 'bs'   

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
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50537869 (CHEMBL4638367) Show SMILES Oc1ccc(cc1)[C@@H]1Oc2ccc(\C=C\c3cc(O)cc(O)c3O)cc2[C@H]1c1cc(O)cc(O)c1O |r| Show InChI InChI=1S/C28H22O8/c29-17-6-4-15(5-7-17)28-25(21-11-19(31)13-23(33)27(21)35)20-9-14(2-8-24(20)36-28)1-3-16-10-18(30)12-22(32)26(16)34/h1-13,25,28-35H/b3-1+/t25-,28-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	920	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyungpook National University Curated by ChEMBL					Assay Description Inhibition of PTP1B (unknown origin) assessed as decrease in p-nitrophenolate formation using using pNPP as substrate by Dixon plot analysis				J Nat Prod 83: 323-332 (2020) Article DOI: 10.1021/acs.jnatprod.9b00777 BindingDB Entry DOI: 10.7270/Q2GM8BVJ
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50092532 (CHEMBL3586200) Show SMILES [H][C@@]12CC=C3C[C@]4(C)CC[C@]5([H])[C@](C)(CC[C@H](OC(=O)CCc6ccc(O)cc6)[C@]5(C)C(O)=O)[C@@]4([H])CC[C@]3([H])[C@@]1(C)CC[C@@H](O)[C@]2(C)CO |r,t:3| Show InChI InChI=1S/C39H56O7/c1-35-19-16-30-37(3,21-18-32(39(30,5)34(44)45)46-33(43)15-8-24-6-10-26(41)11-7-24)28(35)14-12-27-25(22-35)9-13-29-36(27,2)20-17-31(42)38(29,4)23-40/h6-7,9-11,27-32,40-42H,8,12-23H2,1-5H3,(H,44,45)/t27-,28-,29+,30+,31+,32-,35-,36+,37+,38+,39+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	990	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Catholic University of Daegu Curated by ChEMBL					Assay Description Inhibition of BChE (unknown origin) by Dixon plot analysis				Bioorg Med Chem 23: 3126-34 (2015) Article DOI: 10.1016/j.bmc.2015.04.080 BindingDB Entry DOI: 10.7270/Q24X59JZ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50537867 (CHEMBL4649760) Show SMILES Oc1ccc(cc1)[C@H]1Oc2ccc(\C=C\c3cc(O)cc(O)c3O)cc2[C@@H]1c1cc(O)cc(O)c1O |r| Show InChI InChI=1S/C28H22O8/c29-17-6-4-15(5-7-17)28-25(21-11-19(31)13-23(33)27(21)35)20-9-14(2-8-24(20)36-28)1-3-16-10-18(30)12-22(32)26(16)34/h1-13,25,28-35H/b3-1+/t25-,28-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.02E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyungpook National University Curated by ChEMBL					Assay Description Inhibition of PTP1B (unknown origin) assessed as decrease in p-nitrophenolate formation using using pNPP as substrate by Dixon plot analysis				J Nat Prod 83: 323-332 (2020) Article DOI: 10.1021/acs.jnatprod.9b00777 BindingDB Entry DOI: 10.7270/Q2GM8BVJ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50092540 (CHEMBL3586207) Show SMILES CCCC[C@@H](O)\C=C\C=C\C(O)=O |r| Show InChI InChI=1S/C10H16O3/c1-2-3-6-9(11)7-4-5-8-10(12)13/h4-5,7-9,11H,2-3,6H2,1H3,(H,12,13)/b7-4+,8-5+/t9-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.17E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Catholic University of Daegu Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) by Dixon plot analysis				Bioorg Med Chem 23: 3126-34 (2015) Article DOI: 10.1016/j.bmc.2015.04.080 BindingDB Entry DOI: 10.7270/Q24X59JZ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50092531 (CHEMBL3586199) Show SMILES [H][C@@]12CC[C@@]3(C)C[C@@]4(O)CC[C@@]5([H])C(C)(C)[C@H](CC[C@]5(C)[C@@]4([H])CC[C@]3([H])[C@@]1(C)CC[C@H](OC(C)=O)C2(C)C)OC(C)=O |r| Show InChI InChI=1S/C34H56O5/c1-21(35)38-27-14-17-32(8)23(29(27,3)4)12-16-31(7)20-34(37)19-13-24-30(5,6)28(39-22(2)36)15-18-33(24,9)26(34)11-10-25(31)32/h23-28,37H,10-20H2,1-9H3/t23-,24-,25-,26+,27-,28-,31-,32-,33-,34-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.49E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Catholic University of Daegu Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) by Dixon plot analysis				Bioorg Med Chem 23: 3126-34 (2015) Article DOI: 10.1016/j.bmc.2015.04.080 BindingDB Entry DOI: 10.7270/Q24X59JZ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50241345 (Apigenin 7-O-β-D-glucuronide (9) | CHEMBL2542...) Show SMILES O[C@H]1[C@H](Oc2cc(O)c3c(c2)oc(cc3=O)-c2ccc(O)cc2)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O |r| Show InChI InChI=1S/C21H18O11/c22-9-3-1-8(2-4-9)13-7-12(24)15-11(23)5-10(6-14(15)31-13)30-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21-23,25-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars		2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Catholic University of Daegu					Assay Description The reaction mixtures contained in various different concentrations of p-NPP as a PTP1B substrate in the presence or absence of the active compound. ...				Bioorg Chem 72: 293-300 (2017) BindingDB Entry DOI: 10.7270/Q2Q52NH6
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM4078 (6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0...) Show SMILES Oc1cc2c3c(oc(=O)c4cc(O)c(O)c(oc2=O)c34)c1O Show InChI InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars		2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Catholic University of Daegu					Assay Description The reaction mixtures contained in various different concentrations of p-NPP as a PTP1B substrate in the presence or absence of the active compound. ...				Bioorg Chem 72: 293-300 (2017) BindingDB Entry DOI: 10.7270/Q2Q52NH6
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM226157 (PTP1B spring 7 (7)) Show SMILES COc1ccc(-c2ccc(O)cc2)c(C(c2ccc(O)cc2)c2ccc(O)cc2)c1C#Cc1ccc(O)cc1 Show InChI InChI=1S/C34H26O5/c1-39-32-21-20-30(23-5-13-27(36)14-6-23)34(31(32)19-4-22-2-11-26(35)12-3-22)33(24-7-15-28(37)16-8-24)25-9-17-29(38)18-10-25/h2-3,5-18,20-21,33,35-38H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		3.00E+3	-32.8	4.80E+3	n/a	n/a	n/a	n/a	6.0	37
Catholic University of Daegu					Assay Description In each 96-well plates (total 200 μL of volume), there were 2 mM p-NPP and PTP1B (0.05-0.1 μg) in a buffer containing 50 mM citrate (pH 6.0...				Bioorg Chem 72: 273-281 (2017) BindingDB Entry DOI: 10.7270/Q2ZP450S
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50060922 (CHEMBL3394769) Show SMILES [#8]-[#6]-c1ccc(-c2ccc(-[#8])cc2)c(\[#6](=[#6]-2/[#6]=[#6]-[#6](=O)-[#6]=[#6]-2)-c2ccc(-[#8])cc2)c1C#Cc1ccc(-[#8])cc1 |c:17,21| Show InChI InChI=1S/C34H24O5/c35-21-26-10-20-31(23-4-13-28(37)14-5-23)34(32(26)19-3-22-1-11-27(36)12-2-22)33(24-6-15-29(38)16-7-24)25-8-17-30(39)18-9-25/h1-2,4-18,20,35-38H,21H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Catholic University of Daegu Curated by ChEMBL					Assay Description Mixed-competitive inhibition of human recombinant PTP1B using p-nitrophenylphosphate as substrate by Lineweaver-Burk plot analysis				J Nat Prod 78: 34-42 (2015) Article DOI: 10.1021/np5005856 BindingDB Entry DOI: 10.7270/Q2TX3H15
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50093525 (taiwaniaflavone) Show SMILES Oc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1-c1cc(ccc1O)-c1cc(=O)c2c(O)cc(O)cc2o1 |(2.2,-12.35,;.87,-13.13,;.88,-14.67,;-.45,-15.44,;-1.79,-14.67,;-1.8,-13.14,;-.47,-12.36,;-3.12,-15.45,;-4.47,-14.67,;-5.81,-15.46,;-7.15,-14.7,;-8.47,-15.47,;-9.81,-14.7,;-8.48,-17.01,;-7.14,-17.78,;-7.15,-19.32,;-5.8,-17.02,;-4.46,-17.78,;-4.45,-19.32,;-3.11,-17,;-1.78,-17.77,;-.46,-17,;.88,-17.76,;.89,-19.3,;-.45,-20.08,;-1.78,-19.31,;-3.11,-20.08,;2.21,-16.98,;2.19,-15.44,;3.52,-14.67,;3.52,-13.13,;4.86,-15.43,;6.18,-14.67,;6.17,-13.13,;7.51,-15.42,;7.52,-16.96,;8.86,-17.73,;6.19,-17.73,;4.86,-16.97,;3.54,-17.75,)| Show InChI InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)30-26(29(38)28-21(36)9-17(33)11-25(28)40-30)18-7-14(3-6-19(18)34)23-12-22(37)27-20(35)8-16(32)10-24(27)39-23/h1-12,31-36H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Catholic University of Daegu Curated by ChEMBL					Assay Description Mixed-competitive inhibition of human recombinant PTP1B using p-NPP as substrate preincubated for 10 mins followed by substrate addition measured aft...				Bioorg Med Chem 23: 3730-7 (2015) Article DOI: 10.1016/j.bmc.2015.04.007 BindingDB Entry DOI: 10.7270/Q25T3N81
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50259862 (13,II8-biapigenin | 3,8''-biapigenin | CHEMBL51525...) Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3c(oc4cc(O)cc(O)c4c3=O)-c3ccc(O)cc3)c2o1 |(4.11,-9.88,;3.39,-11.25,;4.21,-12.55,;3.49,-13.91,;1.94,-13.97,;1.13,-12.67,;1.84,-11.31,;1.22,-15.32,;2.03,-16.61,;1.32,-17.95,;2.13,-19.25,;-.19,-18,;-.92,-19.36,;-.11,-20.67,;-2.45,-19.41,;-3.25,-18.11,;-4.31,-19.19,;-2.52,-16.76,;-3.32,-15.46,;-3.32,-13.91,;-4.67,-13.14,;-6,-13.93,;-7.34,-13.16,;-8.67,-13.94,;-10.01,-13.17,;-8.67,-15.48,;-7.34,-16.25,;-7.34,-17.8,;-6,-15.48,;-4.66,-16.24,;-4.56,-17.65,;-2.16,-12.91,;-.7,-13.43,;.47,-12.42,;.18,-10.91,;1.35,-9.9,;-1.28,-10.4,;-2.45,-11.41,;-1,-16.72,;-.3,-15.38,)| Show InChI InChI=1S/C30H18O10/c31-15-5-1-13(2-6-15)22-12-21(37)24-19(35)11-20(36)26(30(24)39-22)27-28(38)25-18(34)9-17(33)10-23(25)40-29(27)14-3-7-16(32)8-4-14/h1-12,31-36H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Catholic University of Daegu Curated by ChEMBL					Assay Description Mixed-competitive inhibition of human recombinant PTP1B using p-NPP as substrate preincubated for 10 mins followed by substrate addition measured aft...				Bioorg Med Chem 23: 3730-7 (2015) Article DOI: 10.1016/j.bmc.2015.04.007 BindingDB Entry DOI: 10.7270/Q25T3N81
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50092529 (CHEMBL3586197) Show SMILES [H][C@]12CC[C@@]3([H])[C@@](C)(CC[C@@]4([H])C(C)(C)C(=O)CC[C@]34C)CC1=CC(=O)[C@@]1([H])C(C)(C)[C@H](O)CC[C@]21C |r,c:25| Show InChI InChI=1S/C30H46O3/c1-26(2)21-10-13-28(5)17-18-16-20(31)25-27(3,4)24(33)11-14-29(25,6)19(18)8-9-22(28)30(21,7)15-12-23(26)32/h16,19,21-22,24-25,33H,8-15,17H2,1-7H3/t19-,21-,22-,24+,25-,28-,29+,30-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.78E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Catholic University of Daegu Curated by ChEMBL					Assay Description Inhibition of BChE (unknown origin) by Dixon plot analysis				Bioorg Med Chem 23: 3126-34 (2015) Article DOI: 10.1016/j.bmc.2015.04.080 BindingDB Entry DOI: 10.7270/Q24X59JZ
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50092533 (CHEMBL3586201) Show SMILES [H][C@]12CC[C@@]3([H])[C@@](C)(CC[C@@]4([H])C(C)(C)[C@H](O)CC[C@]34C)CC1=CC[C@@]1([H])C(C)(C)[C@@H](O)CC[C@]21C |r,c:25| Show InChI InChI=1S/C30H50O2/c1-26(2)21-10-8-19-18-28(5)15-12-22-27(3,4)25(32)14-17-30(22,7)23(28)11-9-20(19)29(21,6)16-13-24(26)31/h8,20-25,31-32H,9-18H2,1-7H3/t20-,21-,22-,23-,24-,25+,28-,29+,30-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.88E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Catholic University of Daegu Curated by ChEMBL					Assay Description Inhibition of BChE (unknown origin) by Dixon plot analysis				Bioorg Med Chem 23: 3126-34 (2015) Article DOI: 10.1016/j.bmc.2015.04.080 BindingDB Entry DOI: 10.7270/Q24X59JZ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50148911 ((3beta)-3-hydroxyurs-12-en-28-oic acid | 3beta-hyd...) Show SMILES C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O |r,c:9| Show InChI InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	6.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Catholic University of Daegu Curated by ChEMBL					Assay Description Mixed-competitive inhibition of human recombinant PTP1B using p-NPP as substrate preincubated for 10 mins followed by substrate addition measured aft...				Bioorg Med Chem 23: 3730-7 (2015) Article DOI: 10.1016/j.bmc.2015.04.007 BindingDB Entry DOI: 10.7270/Q25T3N81
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50323212 (6-[5-(5,7-Dihydroxy-4-oxo-4H-chromen-2-yl)-2-hydro...) Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)c(c(O)cc2o1)-c1cc(ccc1O)-c1cc(O)c2c(cc(O)cc2=O)o1 |(14.56,-27.41,;13.23,-26.63,;11.89,-27.39,;10.56,-26.61,;10.57,-25.07,;11.9,-24.31,;13.23,-25.08,;9.25,-24.3,;7.91,-25.06,;6.59,-24.28,;5.25,-25.04,;6.6,-22.75,;5.27,-21.99,;3.93,-22.76,;5.28,-20.46,;6.6,-19.69,;6.6,-18.15,;7.93,-20.45,;7.93,-21.99,;9.26,-22.76,;3.95,-19.69,;2.61,-20.46,;1.28,-19.68,;1.28,-18.14,;2.61,-17.37,;3.95,-18.15,;5.29,-17.38,;-.06,-20.44,;-.06,-22,;-1.41,-22.77,;-1.41,-24.31,;-2.75,-21.99,;-2.75,-20.44,;-4.08,-19.67,;-5.41,-20.45,;-6.75,-19.67,;-5.42,-21.99,;-4.08,-22.76,;-4.08,-24.3,;-1.41,-19.66,)| Show InChI InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)23-11-22(37)29-26(39-23)12-20(35)27(30(29)38)17-7-14(3-6-18(17)33)24-10-21(36)28-19(34)8-16(32)9-25(28)40-24/h1-12,31-33,35-36,38H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Catholic University of Daegu Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B using p-NPP as substrate preincubated for 10 mins followed by substrate addition measured after 20 mins by micr...				Bioorg Med Chem 23: 3730-7 (2015) Article DOI: 10.1016/j.bmc.2015.04.007 BindingDB Entry DOI: 10.7270/Q25T3N81
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50129952 (2-(3-(5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-c...) Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3O)-c3cc(O)c4c(cc(O)cc4=O)o3)c2o1 |(13.25,-26.01,;14.59,-25.24,;14.59,-23.7,;15.92,-22.93,;17.26,-23.7,;17.26,-25.24,;15.93,-26.01,;18.58,-22.93,;19.91,-23.69,;21.23,-22.92,;22.57,-23.69,;21.22,-21.4,;22.56,-20.64,;23.88,-21.41,;22.55,-19.1,;21.22,-18.33,;21.22,-16.79,;19.9,-19.11,;18.57,-18.34,;17.23,-19.1,;15.9,-18.33,;15.9,-16.79,;17.23,-16.02,;18.57,-16.79,;19.91,-16.02,;14.57,-19.09,;14.56,-20.65,;13.21,-21.42,;13.21,-22.96,;11.87,-20.64,;11.88,-19.08,;10.54,-18.32,;9.21,-19.09,;7.87,-18.32,;9.21,-20.64,;10.54,-21.41,;10.54,-22.95,;13.22,-18.3,;19.9,-20.64,;18.58,-21.4,)| Show InChI InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)24-12-23(38)29-21(36)10-20(35)27(30(29)40-24)17-7-14(3-6-18(17)33)25-11-22(37)28-19(34)8-16(32)9-26(28)39-25/h1-12,31-33,35-37H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Catholic University of Daegu Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B using p-NPP as substrate preincubated for 10 mins followed by substrate addition measured after 20 mins by micr...				Bioorg Med Chem 23: 3730-7 (2015) Article DOI: 10.1016/j.bmc.2015.04.007 BindingDB Entry DOI: 10.7270/Q25T3N81
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50092532 (CHEMBL3586200) Show SMILES [H][C@@]12CC=C3C[C@]4(C)CC[C@]5([H])[C@](C)(CC[C@H](OC(=O)CCc6ccc(O)cc6)[C@]5(C)C(O)=O)[C@@]4([H])CC[C@]3([H])[C@@]1(C)CC[C@@H](O)[C@]2(C)CO |r,t:3| Show InChI InChI=1S/C39H56O7/c1-35-19-16-30-37(3,21-18-32(39(30,5)34(44)45)46-33(43)15-8-24-6-10-26(41)11-7-24)28(35)14-12-27-25(22-35)9-13-29-36(27,2)20-17-31(42)38(29,4)23-40/h6-7,9-11,27-32,40-42H,8,12-23H2,1-5H3,(H,44,45)/t27-,28-,29+,30+,31+,32-,35-,36+,37+,38+,39+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.97E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Catholic University of Daegu Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) by Dixon plot analysis				Bioorg Med Chem 23: 3126-34 (2015) Article DOI: 10.1016/j.bmc.2015.04.080 BindingDB Entry DOI: 10.7270/Q24X59JZ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50060921 (CHEMBL3394770) Show SMILES [#6]-[#8]-c1ccc(cc1)-[#6](=[#6]-1\[#6]=[#6]-[#6](=O)-[#6]=[#6]-1)\c1c(ccc(-[#6]-[#8])c1C#Cc1ccc(-[#8])cc1)-c1ccc(-[#8])cc1 |c:11,15| Show InChI InChI=1S/C35H26O5/c1-40-31-18-9-26(10-19-31)34(25-7-16-30(39)17-8-25)35-32(24-5-14-29(38)15-6-24)21-11-27(22-36)33(35)20-4-23-2-12-28(37)13-3-23/h2-3,5-19,21,36-38H,22H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Catholic University of Daegu Curated by ChEMBL					Assay Description Mixed-competitive inhibition of human recombinant PTP1B using p-nitrophenylphosphate as substrate by Lineweaver-Burk plot analysis				J Nat Prod 78: 34-42 (2015) Article DOI: 10.1021/np5005856 BindingDB Entry DOI: 10.7270/Q2TX3H15
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM226153 (Selaginellin U (2)) Show SMILES [#6]-c1ccc(-c2ccc(-[#8])cc2)c(\[#6](=[#6]-2\[#6]=[#6]-[#6](=O)-[#6]=[#6]-2)-c2ccc(-[#8])cc2)c1C#Cc1ccc(-[#8])cc1 |c:16,20| Show InChI InChI=1S/C34H24O4/c1-22-2-20-32(24-6-14-28(36)15-7-24)34(31(22)21-5-23-3-12-27(35)13-4-23)33(25-8-16-29(37)17-9-25)26-10-18-30(38)19-11-26/h2-4,6-20,35-37H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		9.70E+3	-29.8	1.38E+4	n/a	n/a	n/a	n/a	6.0	37
Catholic University of Daegu					Assay Description In each 96-well plates (total 200 μL of volume), there were 2 mM p-NPP and PTP1B (0.05-0.1 μg) in a buffer containing 50 mM citrate (pH 6.0...				Bioorg Chem 72: 273-281 (2017) BindingDB Entry DOI: 10.7270/Q2ZP450S
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50060920 (CHEMBL3394771) Show SMILES OCc1ccc(-c2ccc(O)cc2O)c(c1C#Cc1ccc(O)cc1)C(O)(c1ccc(O)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C34H26O7/c35-20-22-4-17-31(30-18-15-28(39)19-32(30)40)33(29(22)16-3-21-1-9-25(36)10-2-21)34(41,23-5-11-26(37)12-6-23)24-7-13-27(38)14-8-24/h1-2,4-15,17-19,35-41H,20H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.03E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Catholic University of Daegu Curated by ChEMBL					Assay Description Noncompetitive inhibition of human recombinant PTP1B using p-nitrophenylphosphate as substrate by Lineweaver-Burk plot analysis				J Nat Prod 78: 34-42 (2015) Article DOI: 10.1021/np5005856 BindingDB Entry DOI: 10.7270/Q2TX3H15
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50093524 (CHEMBL3585680) Show SMILES Oc1ccc(cc1)-c1cc(=O)c2ccc(O)c(-c3cc([C@@H]4CC(=O)c5c(O)cc(O)cc5O4)c(O)cc3O)c2o1 |r,wD:20.20,(1.56,-5.97,;2.63,-5.36,;3.96,-6.14,;5.3,-5.38,;5.31,-3.84,;3.98,-3.06,;2.64,-3.82,;6.65,-3.07,;7.97,-3.85,;9.31,-3.09,;10.37,-3.71,;9.32,-1.55,;10.65,-.79,;10.67,.76,;9.34,1.54,;9.34,2.77,;8,.76,;6.66,1.53,;5.33,.77,;4,1.54,;2.66,.77,;2.66,-.77,;1.33,-1.54,;1.33,-2.77,;,-.77,;-1.33,-1.54,;-1.33,-2.77,;-2.68,-.77,;-2.68,.77,;-3.75,1.39,;-1.33,1.54,;,.77,;1.33,1.54,;4,3.08,;2.93,3.7,;5.33,3.85,;6.67,3.07,;7.73,3.69,;7.99,-.78,;6.65,-1.54,)| Show InChI InChI=1S/C30H20O10/c31-14-3-1-13(2-4-14)25-11-22(36)16-5-6-19(33)28(30(16)40-25)18-9-17(20(34)10-21(18)35)26-12-24(38)29-23(37)7-15(32)8-27(29)39-26/h1-11,26,31-35,37H,12H2/t26-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.04E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Catholic University of Daegu Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B using p-NPP as substrate preincubated for 10 mins followed by substrate addition measured after 20 mins by micr...				Bioorg Med Chem 23: 3730-7 (2015) Article DOI: 10.1016/j.bmc.2015.04.007 BindingDB Entry DOI: 10.7270/Q25T3N81
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50323213 (CHEMBL1208973 | cupressuflavone) Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3c(O)cc(O)c4c3oc(cc4=O)-c3ccc(O)cc3)c2o1 |(5.18,-39.53,;3.84,-40.3,;3.85,-41.86,;2.51,-42.63,;1.18,-41.86,;1.18,-40.31,;2.51,-39.54,;-.15,-42.62,;-.15,-44.15,;-1.48,-44.92,;-1.48,-46.46,;-2.8,-44.15,;-4.14,-44.93,;-4.14,-46.48,;-5.47,-44.16,;-5.47,-42.62,;-6.8,-41.84,;-4.13,-41.86,;-4.13,-35.97,;-5.46,-35.2,;-6.8,-35.97,;-5.46,-33.67,;-4.13,-32.9,;-4.13,-31.36,;-2.8,-33.65,;-2.79,-35.2,;-1.45,-35.97,;-.11,-35.19,;-.12,-33.64,;-1.46,-32.87,;-1.46,-31.33,;1.21,-35.96,;1.22,-37.5,;2.55,-38.27,;3.88,-37.5,;5.22,-38.27,;3.88,-35.96,;2.55,-35.19,;-2.8,-42.62,;-1.48,-41.85,)| Show InChI InChI=1S/C30H18O10/c31-15-5-1-13(2-6-15)23-11-21(37)25-17(33)9-19(35)27(29(25)39-23)28-20(36)10-18(34)26-22(38)12-24(40-30(26)28)14-3-7-16(32)8-4-14/h1-12,31-36H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	1.07E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Catholic University of Daegu Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B using p-NPP as substrate preincubated for 10 mins followed by substrate addition measured after 20 mins by micr...				Bioorg Med Chem 23: 3730-7 (2015) Article DOI: 10.1016/j.bmc.2015.04.007 BindingDB Entry DOI: 10.7270/Q25T3N81
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM226155 (Selaginellin W (4)) Show SMILES [#8]-c1ccc(cc1)C#Cc1cccc(-c2ccc(-[#8])cc2-[#8])c1\[#6](=[#6]-1/[#6]=[#6]-[#6](=O)-[#6]=[#6]-1)-c1ccc(-[#8])cc1 |c:28,32| Show InChI InChI=1S/C33H22O5/c34-25-12-5-21(6-13-25)4-7-22-2-1-3-30(29-19-18-28(37)20-31(29)38)33(22)32(23-8-14-26(35)15-9-23)24-10-16-27(36)17-11-24/h1-3,5-6,8-20,34-35,37-38H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		1.11E+4	-29.4	1.46E+4	n/a	n/a	n/a	n/a	6.0	37
Catholic University of Daegu					Assay Description In each 96-well plates (total 200 μL of volume), there were 2 mM p-NPP and PTP1B (0.05-0.1 μg) in a buffer containing 50 mM citrate (pH 6.0...				Bioorg Chem 72: 273-281 (2017) BindingDB Entry DOI: 10.7270/Q2ZP450S
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM226154 (Selaginellin V (3)) Show SMILES [#6]-[#8]-c1cc(ccc1-[#8])C#Cc1c(-[#6]-[#8])ccc(-c2ccc(-[#8])cc2)c1\[#6](=[#6]-1\[#6]=[#6]-[#6](=O)-[#6]=[#6]-1)-c1ccc(-[#8])cc1 |c:31,35| Show InChI InChI=1S/C35H26O6/c1-41-33-20-22(3-19-32(33)40)2-17-31-26(21-36)10-18-30(23-4-11-27(37)12-5-23)35(31)34(24-6-13-28(38)14-7-24)25-8-15-29(39)16-9-25/h3-16,18-20,36-38,40H,21H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		1.13E+4	-29.4	1.45E+4	n/a	n/a	n/a	n/a	6.0	37
Catholic University of Daegu					Assay Description In each 96-well plates (total 200 μL of volume), there were 2 mM p-NPP and PTP1B (0.05-0.1 μg) in a buffer containing 50 mM citrate (pH 6.0...				Bioorg Chem 72: 273-281 (2017) BindingDB Entry DOI: 10.7270/Q2ZP450S
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM226156 (PTP1B spring 5 (5)) Show SMILES [#8]-[#6]-c1ccc(-c2ccc(-[#8])cc2-[#8])c(\[#6](=[#6]-2/[#6]=[#6]-[#6](=O)-[#6]=[#6]-2)-c2ccc(-[#8])cc2)c1C#Cc1ccc(-[#8])cc1 |c:18,22| Show InChI InChI=1S/C34H24O6/c35-20-24-8-17-31(30-18-15-28(39)19-32(30)40)34(29(24)16-3-21-1-9-25(36)10-2-21)33(22-4-11-26(37)12-5-22)23-6-13-27(38)14-7-23/h1-2,4-15,17-19,35-37,39-40H,20H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem		1.39E+4	-28.8	1.59E+4	n/a	n/a	n/a	n/a	6.0	37
Catholic University of Daegu					Assay Description In each 96-well plates (total 200 μL of volume), there were 2 mM p-NPP and PTP1B (0.05-0.1 μg) in a buffer containing 50 mM citrate (pH 6.0...				Bioorg Chem 72: 273-281 (2017) BindingDB Entry DOI: 10.7270/Q2ZP450S
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50060918 (Selaginellin) Show SMILES [#8]-c1ccc(cc1)C#Cc1cccc(-c2ccc(-[#8])cc2)c1\[#6](=[#6]-1/[#6]=[#6]-[#6](=O)-[#6]=[#6]-1)-c1ccccc1 |c:27,31| Show InChI InChI=1S/C33H22O3/c34-28-17-10-23(11-18-28)9-12-26-7-4-8-31(24-13-19-29(35)20-14-24)33(26)32(25-5-2-1-3-6-25)27-15-21-30(36)22-16-27/h1-8,10-11,13-22,34-35H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.39E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Catholic University of Daegu Curated by ChEMBL					Assay Description Mixed-competitive inhibition of human recombinant PTP1B using p-nitrophenylphosphate as substrate by Lineweaver-Burk plot analysis				J Nat Prod 78: 34-42 (2015) Article DOI: 10.1021/np5005856 BindingDB Entry DOI: 10.7270/Q2TX3H15
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50093523 (CHEMBL3585679 | PTP1B spring 6 (6)) Show SMILES OCc1ccc(-c2ccc(O)cc2)c(C(O)=O)c1C#Cc1ccc(O)cc1 Show InChI InChI=1S/C22H16O5/c23-13-16-6-12-19(15-4-9-18(25)10-5-15)21(22(26)27)20(16)11-3-14-1-7-17(24)8-2-14/h1-2,4-10,12,23-25H,13H2,(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars		1.45E+4	-28.7	1.32E+4	n/a	n/a	n/a	n/a	6.0	37
Catholic University of Daegu					Assay Description In each 96-well plates (total 200 μL of volume), there were 2 mM p-NPP and PTP1B (0.05-0.1 μg) in a buffer containing 50 mM citrate (pH 6.0...				Bioorg Chem 72: 273-281 (2017) BindingDB Entry DOI: 10.7270/Q2ZP450S
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50093523 (CHEMBL3585679 | PTP1B spring 6 (6)) Show SMILES OCc1ccc(-c2ccc(O)cc2)c(C(O)=O)c1C#Cc1ccc(O)cc1 Show InChI InChI=1S/C22H16O5/c23-13-16-6-12-19(15-4-9-18(25)10-5-15)21(22(26)27)20(16)11-3-14-1-7-17(24)8-2-14/h1-2,4-10,12,23-25H,13H2,(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.45E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Catholic University of Daegu Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B using p-NPP as substrate preincubated for 10 mins followed by substrate addition measured after 20 mins by micr...				Bioorg Med Chem 23: 3730-7 (2015) Article DOI: 10.1016/j.bmc.2015.04.007 BindingDB Entry DOI: 10.7270/Q25T3N81
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50060919 (CHEMBL3394772) Show SMILES COCc1ccc(-c2ccc(O)cc2O)c(c1C#Cc1ccc(O)cc1)C(O)(c1ccc(O)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C35H28O7/c1-42-21-23-5-18-32(31-19-16-29(39)20-33(31)40)34(30(23)17-4-22-2-10-26(36)11-3-22)35(41,24-6-12-27(37)13-7-24)25-8-14-28(38)15-9-25/h2-3,5-16,18-20,36-41H,21H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.51E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Catholic University of Daegu Curated by ChEMBL					Assay Description Uncompetitive inhibition of human recombinant PTP1B using p-nitrophenylphosphate as substrate by Lineweaver-Burk plot analysis				J Nat Prod 78: 34-42 (2015) Article DOI: 10.1021/np5005856 BindingDB Entry DOI: 10.7270/Q2TX3H15
					More data for this Ligand-Target Pair
Pancreatic triacylglycerol lipase (Sus scrofa (Pig))	BDBM24567 ((2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-...) Show SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O |r| Show InChI InChI=1S/C29H53NO5/c1-5-7-9-11-12-13-14-15-16-18-24(34-29(33)26(30-22-31)20-23(3)4)21-27-25(28(32)35-27)19-17-10-8-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)/t24-,25-,26-,27-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Catholic University of Daegu Curated by ChEMBL					Assay Description Inhibition of porcine pancreatic lipase using p-nitrophenyl butyrate as substrate assessed as formation of p-nitrophenol preincubated for 10 mins fol...				Bioorg Med Chem Lett 26: 2788-2794 (2016) Article DOI: 10.1016/j.bmcl.2016.04.066 BindingDB Entry DOI: 10.7270/Q2WD42GF
					More data for this Ligand-Target Pair
Pancreatic triacylglycerol lipase (Sus scrofa (Pig))	BDBM50303006 (CHEMBL517247 | mulberrofuran D) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])ccc2cc(oc12)-c1cc(-[#8])cc(-[#8])c1-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C29H34O4/c1-18(2)7-6-8-20(5)10-13-24-26(31)14-11-21-15-28(33-29(21)24)25-16-22(30)17-27(32)23(25)12-9-19(3)4/h7,9-11,14-17,30-32H,6,8,12-13H2,1-5H3/b20-10+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Catholic University of Daegu Curated by ChEMBL					Assay Description Inhibition of porcine pancreatic lipase using p-nitrophenyl butyrate as substrate assessed as formation of p-nitrophenol preincubated for 10 mins fol...				Bioorg Med Chem Lett 26: 2788-2794 (2016) Article DOI: 10.1016/j.bmcl.2016.04.066 BindingDB Entry DOI: 10.7270/Q2WD42GF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50203126 (3,4-dimethoxy-6,7-dihydro-[1,3]dioxolo[4,5-g]pyrid...) Show SMILES COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OC Show InChI InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Catholic University of Daegu Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine as substrate assessed as substrate hydrolysis by spectrophotometric/Ellman method				Bioorg Med Chem 23: 3126-34 (2015) Article DOI: 10.1016/j.bmc.2015.04.080 BindingDB Entry DOI: 10.7270/Q24X59JZ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50092540 (CHEMBL3586207) Show SMILES CCCC[C@@H](O)\C=C\C=C\C(O)=O |r| Show InChI InChI=1S/C10H16O3/c1-2-3-6-9(11)7-4-5-8-10(12)13/h4-5,7-9,11H,2-3,6H2,1H3,(H,12,13)/b7-4+,8-5+/t9-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Catholic University of Daegu Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine as substrate assessed as substrate hydrolysis by spectrophotometric/Ellman method				Bioorg Med Chem 23: 3126-34 (2015) Article DOI: 10.1016/j.bmc.2015.04.080 BindingDB Entry DOI: 10.7270/Q24X59JZ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50092529 (CHEMBL3586197) Show SMILES [H][C@]12CC[C@@]3([H])[C@@](C)(CC[C@@]4([H])C(C)(C)C(=O)CC[C@]34C)CC1=CC(=O)[C@@]1([H])C(C)(C)[C@H](O)CC[C@]21C |r,c:25| Show InChI InChI=1S/C30H46O3/c1-26(2)21-10-13-28(5)17-18-16-20(31)25-27(3,4)24(33)11-14-29(25,6)19(18)8-9-22(28)30(21,7)15-12-23(26)32/h16,19,21-22,24-25,33H,8-15,17H2,1-7H3/t19-,21-,22-,24+,25-,28-,29+,30-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Catholic University of Daegu Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 by fluorescence resonance energy transfer (FRET) assay				Bioorg Med Chem 23: 3126-34 (2015) Article DOI: 10.1016/j.bmc.2015.04.080 BindingDB Entry DOI: 10.7270/Q24X59JZ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50092537 (CHEMBL3586204) Show SMILES [H][C@@]12C[C@H](O)[C@@]3(O)C[C@]4(C)CC[C@]5([H])[C@](C)(CC[C@H](OC(=O)c6ccc(O)cc6)[C@]5(C)C(O)=O)[C@@]4([H])CC[C@]3([H])[C@@]1(C)CC[C@@H](O)[C@]2(C)CO |r| Show InChI InChI=1S/C37H54O9/c1-32-15-12-24-33(2,17-14-29(36(24,5)31(43)44)46-30(42)21-6-8-22(39)9-7-21)23(32)10-11-25-34(3)16-13-27(40)35(4,20-38)26(34)18-28(41)37(25,45)19-32/h6-9,23-29,38-41,45H,10-20H2,1-5H3,(H,43,44)/t23-,24+,25+,26+,27+,28-,29-,32-,33+,34+,35+,36+,37+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL 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
Catholic University of Daegu Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 by fluorescence resonance energy transfer (FRET) assay				Bioorg Med Chem 23: 3126-34 (2015) Article DOI: 10.1016/j.bmc.2015.04.080 BindingDB Entry DOI: 10.7270/Q24X59JZ
					More data for this Ligand-Target Pair
Pancreatic triacylglycerol lipase (Sus scrofa (Pig))	BDBM50168024 (CHEMBL3800462) Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]/[#6]-c1c(-[#8])cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c1-c1cc2ccc(-[#8])cc2o1 Show InChI InChI=1S/C34H42O4/c1-22(2)9-7-10-24(5)11-8-12-25(6)14-18-29-31(37)21-30(36)28(17-13-23(3)4)34(29)33-19-26-15-16-27(35)20-32(26)38-33/h9,11,13-16,19-21,35-37H,7-8,10,12,17-18H2,1-6H3/b24-11-,25-14-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
Catholic University of Daegu Curated by ChEMBL					Assay Description Inhibition of porcine pancreatic lipase using p-nitrophenyl butyrate as substrate assessed as formation of p-nitrophenol preincubated for 10 mins fol...				Bioorg Med Chem Lett 26: 2788-2794 (2016) Article DOI: 10.1016/j.bmcl.2016.04.066 BindingDB Entry DOI: 10.7270/Q2WD42GF
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50092532 (CHEMBL3586200) Show SMILES [H][C@@]12CC=C3C[C@]4(C)CC[C@]5([H])[C@](C)(CC[C@H](OC(=O)CCc6ccc(O)cc6)[C@]5(C)C(O)=O)[C@@]4([H])CC[C@]3([H])[C@@]1(C)CC[C@@H](O)[C@]2(C)CO |r,t:3| Show InChI InChI=1S/C39H56O7/c1-35-19-16-30-37(3,21-18-32(39(30,5)34(44)45)46-33(43)15-8-24-6-10-26(41)11-7-24)28(35)14-12-27-25(22-35)9-13-29-36(27,2)20-17-31(42)38(29,4)23-40/h6-7,9-11,27-32,40-42H,8,12-23H2,1-5H3,(H,44,45)/t27-,28-,29+,30+,31+,32-,35-,36+,37+,38+,39+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
Catholic University of Daegu Curated by ChEMBL					Assay Description Inhibition of BChE (unknown origin) using butyrylthiocholine as substrate assessed as substrate hydrolysis by spectrophotometric/Ellman method				Bioorg Med Chem 23: 3126-34 (2015) Article DOI: 10.1016/j.bmc.2015.04.080 BindingDB Entry DOI: 10.7270/Q24X59JZ
					More data for this Ligand-Target Pair
Pancreatic triacylglycerol lipase (Sus scrofa (Pig))	BDBM50168022 (CHEMBL3797266) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]/[#6]-c1c(-[#8])ccc2cc(oc12)-c1cc(-[#8])c2ccoc2c1 Show InChI InChI=1S/C26H26O4/c1-16(2)5-4-6-17(3)7-9-21-22(27)10-8-18-14-24(30-26(18)21)19-13-23(28)20-11-12-29-25(20)15-19/h5,7-8,10-15,27-28H,4,6,9H2,1-3H3/b17-7-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL 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
Catholic University of Daegu Curated by ChEMBL					Assay Description Inhibition of porcine pancreatic lipase using p-nitrophenyl butyrate as substrate assessed as formation of p-nitrophenol preincubated for 10 mins fol...				Bioorg Med Chem Lett 26: 2788-2794 (2016) Article DOI: 10.1016/j.bmcl.2016.04.066 BindingDB Entry DOI: 10.7270/Q2WD42GF
					More data for this Ligand-Target Pair
Pancreatic triacylglycerol lipase (Sus scrofa (Pig))	BDBM50168023 (CHEMBL3800628) Show SMILES [#6]-[#8]-c1cc(-[#8])cc(-c2cc3ccc(-[#8])cc3o2)c1-[#6]\[#6]=[#6](\[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6] Show InChI InChI=1S/C30H36O4/c1-20(2)8-6-9-21(3)10-7-11-22(4)12-15-26-27(17-25(32)19-29(26)33-5)30-16-23-13-14-24(31)18-28(23)34-30/h8,10,12-14,16-19,31-32H,6-7,9,11,15H2,1-5H3/b21-10-,22-12-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	570	n/a	n/a	n/a	n/a	n/a	n/a
Catholic University of Daegu Curated by ChEMBL					Assay Description Inhibition of porcine pancreatic lipase using p-nitrophenyl butyrate as substrate assessed as formation of p-nitrophenol preincubated for 10 mins fol...				Bioorg Med Chem Lett 26: 2788-2794 (2016) Article DOI: 10.1016/j.bmcl.2016.04.066 BindingDB Entry DOI: 10.7270/Q2WD42GF
					More data for this Ligand-Target Pair
Pancreatic triacylglycerol lipase (Sus scrofa (Pig))	BDBM50303004 (CHEMBL562810 | mulberrofuran W) Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]/[#6]-c1c(-[#8])cc(-[#8])cc1-c1cc2ccc(-[#8])cc2o1 Show InChI InChI=1S/C29H34O4/c1-19(2)7-5-8-20(3)9-6-10-21(4)11-14-25-26(16-24(31)17-27(25)32)29-15-22-12-13-23(30)18-28(22)33-29/h7,9,11-13,15-18,30-32H,5-6,8,10,14H2,1-4H3/b20-9-,21-11-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Catholic University of Daegu Curated by ChEMBL					Assay Description Inhibition of porcine pancreatic lipase using p-nitrophenyl butyrate as substrate assessed as formation of p-nitrophenol preincubated for 10 mins fol...				Bioorg Med Chem Lett 26: 2788-2794 (2016) Article DOI: 10.1016/j.bmcl.2016.04.066 BindingDB Entry DOI: 10.7270/Q2WD42GF
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50060923 (CHEMBL3394773) Show SMILES OC(=O)c1nnc(o1)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C15H10N2O3/c18-15(19)14-17-16-13(20-14)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Catholic University of Daegu Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B using p-nitrophenylphosphate as substrate				J Nat Prod 78: 34-42 (2015) Article DOI: 10.1021/np5005856 BindingDB Entry DOI: 10.7270/Q2TX3H15
					More data for this Ligand-Target Pair
Pancreatic triacylglycerol lipase (Sus scrofa (Pig))	BDBM50168019 (CHEMBL3798170) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]/[#6]-c1c(-[#8])cc2-[#8]-[#6@@H](-[#6]-[#6](=O)-c2c1-[#8])-c1ccc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c1-[#8] |r| Show InChI InChI=1S/C30H36O6/c1-17(2)7-6-8-19(5)10-12-21-24(32)15-27-28(30(21)35)25(33)16-26(36-27)22-13-14-23(31)20(29(22)34)11-9-18(3)4/h7,9-10,13-15,26,31-32,34-35H,6,8,11-12,16H2,1-5H3/b19-10-/t26-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	710	n/a	n/a	n/a	n/a	n/a	n/a
Catholic University of Daegu Curated by ChEMBL					Assay Description Inhibition of porcine pancreatic lipase using p-nitrophenyl butyrate as substrate assessed as formation of p-nitrophenol preincubated for 10 mins fol...				Bioorg Med Chem Lett 26: 2788-2794 (2016) Article DOI: 10.1016/j.bmcl.2016.04.066 BindingDB Entry DOI: 10.7270/Q2WD42GF
					More data for this Ligand-Target Pair
Pancreatic triacylglycerol lipase (Sus scrofa (Pig))	BDBM50168021 (CHEMBL3800241) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]C1([#6])[#8]-c2cc(cc(-[#8])c2-[#6]=[#6]1)-c1cc2ccc(-[#8])cc2o1 |c:17| Show InChI InChI=1S/C24H24O4/c1-15(2)5-4-9-24(3)10-8-19-20(26)11-17(13-23(19)28-24)21-12-16-6-7-18(25)14-22(16)27-21/h5-8,10-14,25-26H,4,9H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	760	n/a	n/a	n/a	n/a	n/a	n/a
Catholic University of Daegu Curated by ChEMBL					Assay Description Inhibition of porcine pancreatic lipase using p-nitrophenyl butyrate as substrate assessed as formation of p-nitrophenol preincubated for 10 mins fol...				Bioorg Med Chem Lett 26: 2788-2794 (2016) Article DOI: 10.1016/j.bmcl.2016.04.066 BindingDB Entry DOI: 10.7270/Q2WD42GF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50203126 (3,4-dimethoxy-6,7-dihydro-[1,3]dioxolo[4,5-g]pyrid...) Show SMILES COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OC Show InChI InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars		n/a	n/a	770	n/a	n/a	n/a	n/a	8.0	25
Catholic University of Daegu					Assay Description Briefly, 140 μL of sodium phosphate buffer (pH 8.0), 20 μL of each tested compound with different concentrations (4, 20, and 100 μM) a...				Bioorg Chem 72: 293-300 (2017) BindingDB Entry DOI: 10.7270/Q2Q52NH6
					More data for this Ligand-Target Pair
Pancreatic triacylglycerol lipase (Sus scrofa (Pig))	BDBM50168018 (CHEMBL3798236) Show SMILES [#6]-[#8]-c1cc(-[#8])cc(\[#6]=[#6]\c2ccc(-[#8])cc2)c1-[#6]\[#6]=[#6](\[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C25H30O3/c1-18(2)6-5-7-19(3)8-15-24-21(16-23(27)17-25(24)28-4)12-9-20-10-13-22(26)14-11-20/h6,8-14,16-17,26-27H,5,7,15H2,1-4H3/b12-9+,19-8-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	850	n/a	n/a	n/a	n/a	n/a	n/a
Catholic University of Daegu Curated by ChEMBL					Assay Description Inhibition of porcine pancreatic lipase using p-nitrophenyl butyrate as substrate assessed as formation of p-nitrophenol preincubated for 10 mins fol...				Bioorg Med Chem Lett 26: 2788-2794 (2016) Article DOI: 10.1016/j.bmcl.2016.04.066 BindingDB Entry DOI: 10.7270/Q2WD42GF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50092531 (CHEMBL3586199) Show SMILES [H][C@@]12CC[C@@]3(C)C[C@@]4(O)CC[C@@]5([H])C(C)(C)[C@H](CC[C@]5(C)[C@@]4([H])CC[C@]3([H])[C@@]1(C)CC[C@H](OC(C)=O)C2(C)C)OC(C)=O |r| Show InChI InChI=1S/C34H56O5/c1-21(35)38-27-14-17-32(8)23(29(27,3)4)12-16-31(7)20-34(37)19-13-24-30(5,6)28(39-22(2)36)15-18-33(24,9)26(34)11-10-25(31)32/h23-28,37H,10-20H2,1-9H3/t23-,24-,25-,26+,27-,28-,31-,32-,33-,34-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	910	n/a	n/a	n/a	n/a	n/a	n/a
Catholic University of Daegu Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine as substrate assessed as substrate hydrolysis by spectrophotometric/Ellman method				Bioorg Med Chem 23: 3126-34 (2015) Article DOI: 10.1016/j.bmc.2015.04.080 BindingDB Entry DOI: 10.7270/Q24X59JZ
					More data for this Ligand-Target Pair
Pancreatic triacylglycerol lipase (Sus scrofa (Pig))	BDBM50168020 (CHEMBL3797932) Show SMILES [#6]-[#8]-c1cc(-[#8])cc(-c2cc3ccc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c3o2)c1-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C30H36O4/c1-19(2)8-7-9-21(5)11-14-25-27(32)15-12-22-16-29(34-30(22)25)26-17-23(31)18-28(33-6)24(26)13-10-20(3)4/h8,10-12,15-18,31-32H,7,9,13-14H2,1-6H3/b21-11-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	920	n/a	n/a	n/a	n/a	n/a	n/a
Catholic University of Daegu Curated by ChEMBL					Assay Description Inhibition of porcine pancreatic lipase using p-nitrophenyl butyrate as substrate assessed as formation of p-nitrophenol preincubated for 10 mins fol...				Bioorg Med Chem Lett 26: 2788-2794 (2016) Article DOI: 10.1016/j.bmcl.2016.04.066 BindingDB Entry DOI: 10.7270/Q2WD42GF
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50092530 (CHEMBL3586198) Show SMILES [H][C@@]12C[C@H](O)[C@@]3(O)C[C@]4(C)CC[C@]5([H])[C@](C)(CC[C@H](OC(=O)c6ccc(OC)c(O)c6)[C@]5(C)C(O)=O)[C@@]4([H])CC[C@]3([H])[C@@]1(C)CC[C@@H](O)C2(C)C |r| Show InChI InChI=1S/C38H56O9/c1-33(2)27-19-29(41)38(45)20-34(3)15-12-25-35(4,24(34)10-11-26(38)36(27,5)16-13-28(33)40)17-14-30(37(25,6)32(43)44)47-31(42)21-8-9-23(46-7)22(39)18-21/h8-9,18,24-30,39-41,45H,10-17,19-20H2,1-7H3,(H,43,44)/t24-,25+,26+,27-,28+,29-,30-,34-,35+,36+,37+,38+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	980	n/a	n/a	n/a	n/a	n/a	n/a
Catholic University of Daegu Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 by fluorescence resonance energy transfer (FRET) assay				Bioorg Med Chem 23: 3126-34 (2015) Article DOI: 10.1016/j.bmc.2015.04.080 BindingDB Entry DOI: 10.7270/Q24X59JZ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50092527 (CHEMBL3586196) Show SMILES [H][C@@]12CC=C3C[C@]4(C)CC[C@]5([H])[C@](C)(CC[C@H](OC(=O)\C=C\c6ccc(O)cc6)[C@]5(C)C(O)=O)[C@@]4([H])CC[C@]3([H])[C@@]1(C)CC[C@@H](O)[C@]2(C)CO |r,t:3| Show InChI InChI=1S/C39H54O7/c1-35-19-16-30-37(3,21-18-32(39(30,5)34(44)45)46-33(43)15-8-24-6-10-26(41)11-7-24)28(35)14-12-27-25(22-35)9-13-29-36(27,2)20-17-31(42)38(29,4)23-40/h6-11,15,27-32,40-42H,12-14,16-23H2,1-5H3,(H,44,45)/b15-8+/t27-,28-,29+,30+,31+,32-,35-,36+,37+,38+,39+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
Catholic University of Daegu Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 by fluorescence resonance energy transfer (FRET) assay				Bioorg Med Chem 23: 3126-34 (2015) Article DOI: 10.1016/j.bmc.2015.04.080 BindingDB Entry DOI: 10.7270/Q24X59JZ
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50203126 (3,4-dimethoxy-6,7-dihydro-[1,3]dioxolo[4,5-g]pyrid...) Show SMILES COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OC Show InChI InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
Catholic University of Daegu Curated by ChEMBL					Assay Description Inhibition of BChE (unknown origin) using butyrylthiocholine as substrate assessed as substrate hydrolysis by spectrophotometric/Ellman method				Bioorg Med Chem 23: 3126-34 (2015) Article DOI: 10.1016/j.bmc.2015.04.080 BindingDB Entry DOI: 10.7270/Q24X59JZ
					More data for this Ligand-Target Pair

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