Compile Data Set for Download or QSAR

Found 244 hits with Last Name = 'lin' and Initial = 'hy'   

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
Acetylcholinesterase (Homo sapiens (Human))	BDBM50394447 (CHEMBL2159662) Show SMILES CC(=O)c1ccccc1NC(=O)c1ccc(OCCCCC[n+]2cccc3ccccc23)cc1 Show InChI InChI=1S/C29H28N2O3/c1-22(32)26-12-4-5-13-27(26)30-29(33)24-15-17-25(18-16-24)34-21-8-2-7-19-31-20-9-11-23-10-3-6-14-28(23)31/h3-6,9-18,20H,2,7-8,19,21H2,1H3/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE using acetylthiocholine as substrate				Bioorg Med Chem 20: 6739-50 (2012) Article DOI: 10.1016/j.bmc.2012.09.016 BindingDB Entry DOI: 10.7270/Q2ZW1N1Z
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	PDB MMDB 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	PDB Article PubMed	8.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human recombinant BChE using acetylthiocholine as substrate				Bioorg Med Chem 20: 6739-50 (2012) Article DOI: 10.1016/j.bmc.2012.09.016 BindingDB Entry DOI: 10.7270/Q2ZW1N1Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (Human))	BDBM50394448 (CHEMBL2159661) Show SMILES CC(=O)c1ccccc1NC(=O)c1ccc(OCCCCCC[n+]2ccc3ccccc3c2)cc1 Show InChI InChI=1S/C30H30N2O3/c1-23(33)28-12-6-7-13-29(28)31-30(34)25-14-16-27(17-15-25)35-21-9-3-2-8-19-32-20-18-24-10-4-5-11-26(24)22-32/h4-7,10-18,20,22H,2-3,8-9,19,21H2,1H3/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE using acetylthiocholine as substrate				Bioorg Med Chem 20: 6739-50 (2012) Article DOI: 10.1016/j.bmc.2012.09.016 BindingDB Entry DOI: 10.7270/Q2ZW1N1Z
					More data for this Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase (Homo sapiens (Human))	BDBM50024721 (CHEMBL3342603) Show SMILES Cc1nc2ccc(cc2c(=O)n1-c1cccc(Cl)c1)C(=O)c1cnn(C)c1O Show InChI InChI=1S/C20H15ClN4O3/c1-11-23-17-7-6-12(18(26)16-10-22-24(2)19(16)27)8-15(17)20(28)25(11)14-5-3-4-13(21)9-14/h3-10,27H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of purified His6-tagged recombinant human HPPD assessed as inhibition of maleylacetoacetate formation after 30 mins by UV/visible spectrop...				Bioorg Med Chem 22: 5194-211 (2014) Article DOI: 10.1016/j.bmc.2014.08.011 BindingDB Entry DOI: 10.7270/Q2DF6SRG
					More data for this Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase (Homo sapiens (Human))	BDBM50024752 (CHEMBL3343183) Show SMILES Cc1ccc(c(Br)c1)-n1c(C)nc2ccc(cc2c1=O)C(=O)c1cnn(C)c1O |(7.71,-46.18,;6.4,-46.98,;6.43,-48.53,;5.12,-49.32,;3.77,-48.58,;3.73,-47.05,;2.38,-46.31,;5.04,-46.24,;2.46,-49.38,;2.49,-50.93,;3.84,-51.67,;1.16,-51.73,;-.2,-50.99,;-1.52,-51.78,;-2.87,-51.04,;-2.89,-49.5,;-1.58,-48.7,;-.24,-49.44,;1.09,-48.63,;1.06,-47.09,;-4.25,-48.75,;-4.28,-47.21,;-5.56,-49.55,;-5.69,-51.08,;-7.19,-51.44,;-7.98,-50.12,;-9.51,-49.99,;-6.98,-48.95,;-7.34,-47.45,)| Show InChI InChI=1S/C21H17BrN4O3/c1-11-4-7-18(16(22)8-11)26-12(2)24-17-6-5-13(9-14(17)21(26)29)19(27)15-10-23-25(3)20(15)28/h4-10,28H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of purified His6-tagged recombinant human HPPD assessed as inhibition of maleylacetoacetate formation after 30 mins by UV/visible spectrop...				Bioorg Med Chem 22: 5194-211 (2014) Article DOI: 10.1016/j.bmc.2014.08.011 BindingDB Entry DOI: 10.7270/Q2DF6SRG
					More data for this Ligand-Target Pair
Beta-glucuronidase (Bos taurus (Bovine))	BDBM50511223 (CHEMBL4589187) Show SMILES O[C@@H]1CNC[C@@H]([C@H]1O)C(O)=O |r| Show InChI InChI=1S/C6H11NO4/c8-4-2-7-1-3(5(4)9)6(10)11/h3-5,7-9H,1-2H2,(H,10,11)/t3-,4+,5+/m0/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Academia Sinica Curated by ChEMBL					Assay Description Inhibition of bovine GUS pre-incubated for 5 to 30 mins before 4-methylumbelliferone beta-D-glucuronide substrate addition at pH 6.7				J Med Chem 63: 4617-4627 (2020) Article DOI: 10.1021/acs.jmedchem.9b01918 BindingDB Entry DOI: 10.7270/Q2CJ8HTJ
					More data for this Ligand-Target Pair
Beta-glucuronidase (Escherichia coli (Enterobacteria))	BDBM50511223 (CHEMBL4589187) Show SMILES O[C@@H]1CNC[C@@H]([C@H]1O)C(O)=O |r| Show InChI InChI=1S/C6H11NO4/c8-4-2-7-1-3(5(4)9)6(10)11/h3-5,7-9H,1-2H2,(H,10,11)/t3-,4+,5+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Academia Sinica Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GUS pre-incubated for 5 to 30 mins before 4-methylumbelliferone beta-D-glucuronide substrate addition at pH 6.7				J Med Chem 63: 4617-4627 (2020) Article DOI: 10.1021/acs.jmedchem.9b01918 BindingDB Entry DOI: 10.7270/Q2CJ8HTJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
4-hydroxyphenylpyruvate dioxygenase (Homo sapiens (Human))	BDBM50024719 (CHEMBL3342605) Show SMILES Cc1cccc(c1)-n1c(C)nc2ccc(cc2c1=O)C(=O)c1cnn(C)c1O Show InChI InChI=1S/C21H18N4O3/c1-12-5-4-6-15(9-12)25-13(2)23-18-8-7-14(10-16(18)21(25)28)19(26)17-11-22-24(3)20(17)27/h4-11,27H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of purified His6-tagged recombinant human HPPD assessed as inhibition of maleylacetoacetate formation after 30 mins by UV/visible spectrop...				Bioorg Med Chem 22: 5194-211 (2014) Article DOI: 10.1016/j.bmc.2014.08.011 BindingDB Entry DOI: 10.7270/Q2DF6SRG
					More data for this Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase (Homo sapiens (Human))	BDBM50024720 (CHEMBL3342604) Show SMILES Cc1nc2ccc(cc2c(=O)n1-c1cccc(Br)c1)C(=O)c1cnn(C)c1O Show InChI InChI=1S/C20H15BrN4O3/c1-11-23-17-7-6-12(18(26)16-10-22-24(2)19(16)27)8-15(17)20(28)25(11)14-5-3-4-13(21)9-14/h3-10,27H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of purified His6-tagged recombinant human HPPD assessed as inhibition of maleylacetoacetate formation after 30 mins by UV/visible spectrop...				Bioorg Med Chem 22: 5194-211 (2014) Article DOI: 10.1016/j.bmc.2014.08.011 BindingDB Entry DOI: 10.7270/Q2DF6SRG
					More data for this Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase (Homo sapiens (Human))	BDBM50024727 (CHEMBL3342432) Show SMILES Cc1nc2ccc(cc2c(=O)n1-c1ccccc1F)C(=O)c1cnn(C)c1O |(22.4,-6.56,;21.05,-5.81,;19.72,-6.62,;18.37,-5.87,;17.05,-6.67,;15.7,-5.92,;15.67,-4.38,;16.98,-3.59,;18.33,-4.32,;19.65,-3.51,;19.61,-1.97,;21.01,-4.26,;22.33,-3.46,;22.29,-1.93,;23.6,-1.13,;24.96,-1.87,;24.99,-3.41,;23.67,-4.21,;23.7,-5.75,;14.33,-3.64,;14.29,-2.1,;13.01,-4.43,;12.88,-5.97,;11.38,-6.32,;10.58,-5,;9.05,-4.88,;11.58,-3.84,;11.23,-2.34,)| Show InChI InChI=1S/C20H15FN4O3/c1-11-23-16-8-7-12(18(26)14-10-22-24(2)19(14)27)9-13(16)20(28)25(11)17-6-4-3-5-15(17)21/h3-10,27H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of purified His6-tagged recombinant human HPPD assessed as inhibition of maleylacetoacetate formation after 30 mins by UV/visible spectrop...				Bioorg Med Chem 22: 5194-211 (2014) Article DOI: 10.1016/j.bmc.2014.08.011 BindingDB Entry DOI: 10.7270/Q2DF6SRG
					More data for this Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase (Homo sapiens (Human))	BDBM50024758 (CHEMBL3342610) Show SMILES Cc1nc2ccc(cc2c(=O)n1-c1ccc(Br)cc1)C(=O)c1cnn(C)c1O Show InChI InChI=1S/C20H15BrN4O3/c1-11-23-17-8-3-12(18(26)16-10-22-24(2)19(16)27)9-15(17)20(28)25(11)14-6-4-13(21)5-7-14/h3-10,27H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of purified His6-tagged recombinant human HPPD assessed as inhibition of maleylacetoacetate formation after 30 mins by UV/visible spectrop...				Bioorg Med Chem 22: 5194-211 (2014) Article DOI: 10.1016/j.bmc.2014.08.011 BindingDB Entry DOI: 10.7270/Q2DF6SRG
					More data for this Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase (Homo sapiens (Human))	BDBM50024728 (CHEMBL3342431) Show SMILES Cc1nc2ccc(cc2c(=O)n1-c1ccccc1)C(=O)c1cnn(C)c1O Show InChI InChI=1S/C20H16N4O3/c1-12-22-17-9-8-13(18(25)16-11-21-23(2)19(16)26)10-15(17)20(27)24(12)14-6-4-3-5-7-14/h3-11,26H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of purified His6-tagged recombinant human HPPD assessed as inhibition of maleylacetoacetate formation after 30 mins by UV/visible spectrop...				Bioorg Med Chem 22: 5194-211 (2014) Article DOI: 10.1016/j.bmc.2014.08.011 BindingDB Entry DOI: 10.7270/Q2DF6SRG
					More data for this Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase (Homo sapiens (Human))	BDBM50024722 (CHEMBL3342602) Show SMILES Cc1nc2ccc(cc2c(=O)n1-c1cccc(F)c1)C(=O)c1cnn(C)c1O Show InChI InChI=1S/C20H15FN4O3/c1-11-23-17-7-6-12(18(26)16-10-22-24(2)19(16)27)8-15(17)20(28)25(11)14-5-3-4-13(21)9-14/h3-10,27H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of purified His6-tagged recombinant human HPPD assessed as inhibition of maleylacetoacetate formation after 30 mins by UV/visible spectrop...				Bioorg Med Chem 22: 5194-211 (2014) Article DOI: 10.1016/j.bmc.2014.08.011 BindingDB Entry DOI: 10.7270/Q2DF6SRG
					More data for this Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase (Homo sapiens (Human))	BDBM50024759 (CHEMBL3342609) Show SMILES Cc1nc2ccc(cc2c(=O)n1-c1ccc(Cl)cc1)C(=O)c1cnn(C)c1O Show InChI InChI=1S/C20H15ClN4O3/c1-11-23-17-8-3-12(18(26)16-10-22-24(2)19(16)27)9-15(17)20(28)25(11)14-6-4-13(21)5-7-14/h3-10,27H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of purified His6-tagged recombinant human HPPD assessed as inhibition of maleylacetoacetate formation after 30 mins by UV/visible spectrop...				Bioorg Med Chem 22: 5194-211 (2014) Article DOI: 10.1016/j.bmc.2014.08.011 BindingDB Entry DOI: 10.7270/Q2DF6SRG
					More data for this Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase (Homo sapiens (Human))	BDBM50024726 (CHEMBL3342598) Show SMILES Cc1nc2ccc(cc2c(=O)n1-c1ccccc1Cl)C(=O)c1cnn(C)c1O |(39.95,-6.5,;38.6,-5.76,;37.27,-6.56,;35.91,-5.82,;34.6,-6.61,;33.25,-5.87,;33.22,-4.32,;34.53,-3.53,;35.88,-4.27,;37.2,-3.46,;37.16,-1.92,;38.56,-4.21,;39.88,-3.41,;39.83,-1.87,;41.14,-1.07,;42.5,-1.81,;42.54,-3.35,;41.22,-4.15,;41.25,-5.69,;31.87,-3.58,;31.84,-2.04,;30.55,-4.38,;30.42,-5.91,;28.92,-6.27,;28.13,-4.95,;26.6,-4.82,;29.13,-3.78,;28.78,-2.28,)| Show InChI InChI=1S/C20H15ClN4O3/c1-11-23-16-8-7-12(18(26)14-10-22-24(2)19(14)27)9-13(16)20(28)25(11)17-6-4-3-5-15(17)21/h3-10,27H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of purified His6-tagged recombinant human HPPD assessed as inhibition of maleylacetoacetate formation after 30 mins by UV/visible spectrop...				Bioorg Med Chem 22: 5194-211 (2014) Article DOI: 10.1016/j.bmc.2014.08.011 BindingDB Entry DOI: 10.7270/Q2DF6SRG
					More data for this Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase (Homo sapiens (Human))	BDBM50024725 (CHEMBL3342599) Show SMILES Cc1nc2ccc(cc2c(=O)n1-c1ccccc1Br)C(=O)c1cnn(C)c1O |(57.5,-6.26,;56.15,-5.52,;54.82,-6.32,;53.47,-5.58,;52.15,-6.37,;50.8,-5.63,;50.78,-4.08,;52.09,-3.29,;53.43,-4.03,;54.75,-3.22,;54.72,-1.68,;56.12,-3.97,;57.43,-3.17,;57.39,-1.63,;58.7,-.83,;60.06,-1.57,;60.09,-3.11,;58.78,-3.91,;58.81,-5.45,;49.43,-3.34,;49.4,-1.8,;48.11,-4.14,;47.98,-5.67,;46.48,-6.03,;45.69,-4.71,;44.15,-4.58,;46.69,-3.54,;46.33,-2.04,)| Show InChI InChI=1S/C20H15BrN4O3/c1-11-23-16-8-7-12(18(26)14-10-22-24(2)19(14)27)9-13(16)20(28)25(11)17-6-4-3-5-15(17)21/h3-10,27H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of purified His6-tagged recombinant human HPPD assessed as inhibition of maleylacetoacetate formation after 30 mins by UV/visible spectrop...				Bioorg Med Chem 22: 5194-211 (2014) Article DOI: 10.1016/j.bmc.2014.08.011 BindingDB Entry DOI: 10.7270/Q2DF6SRG
					More data for this Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase (Homo sapiens (Human))	BDBM50024757 (CHEMBL3342611) Show SMILES Cc1ccc(cc1)-n1c(C)nc2ccc(cc2c1=O)C(=O)c1cnn(C)c1O Show InChI InChI=1S/C21H18N4O3/c1-12-4-7-15(8-5-12)25-13(2)23-18-9-6-14(10-16(18)21(25)28)19(26)17-11-22-24(3)20(17)27/h4-11,27H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of purified His6-tagged recombinant human HPPD assessed as inhibition of maleylacetoacetate formation after 30 mins by UV/visible spectrop...				Bioorg Med Chem 22: 5194-211 (2014) Article DOI: 10.1016/j.bmc.2014.08.011 BindingDB Entry DOI: 10.7270/Q2DF6SRG
					More data for this Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase (Homo sapiens (Human))	BDBM50024751 (CHEMBL3343184) Show SMILES Cc1nc2ccc(cc2c(=O)n1-c1ccc(Cl)c(Cl)c1)C(=O)c1cnn(C)c1O Show InChI InChI=1S/C20H14Cl2N4O3/c1-10-24-17-6-3-11(18(27)14-9-23-25(2)19(14)28)7-13(17)20(29)26(10)12-4-5-15(21)16(22)8-12/h3-9,28H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of purified His6-tagged recombinant human HPPD assessed as inhibition of maleylacetoacetate formation after 30 mins by UV/visible spectrop...				Bioorg Med Chem 22: 5194-211 (2014) Article DOI: 10.1016/j.bmc.2014.08.011 BindingDB Entry DOI: 10.7270/Q2DF6SRG
					More data for this Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase (Homo sapiens (Human))	BDBM50024716 (CHEMBL3342607) Show SMILES Cc1nc2ccc(cc2c(=O)n1-c1cccc(OC(F)(F)F)c1)C(=O)c1cnn(C)c1O Show InChI InChI=1S/C21H15F3N4O4/c1-11-26-17-7-6-12(18(29)16-10-25-27(2)19(16)30)8-15(17)20(31)28(11)13-4-3-5-14(9-13)32-21(22,23)24/h3-10,30H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of purified His6-tagged recombinant human HPPD assessed as inhibition of maleylacetoacetate formation after 30 mins by UV/visible spectrop...				Bioorg Med Chem 22: 5194-211 (2014) Article DOI: 10.1016/j.bmc.2014.08.011 BindingDB Entry DOI: 10.7270/Q2DF6SRG
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	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	PDB Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE using acetylthiocholine as substrate				Bioorg Med Chem 20: 6739-50 (2012) Article DOI: 10.1016/j.bmc.2012.09.016 BindingDB Entry DOI: 10.7270/Q2ZW1N1Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
4-hydroxyphenylpyruvate dioxygenase (Homo sapiens (Human))	BDBM50024754 (CHEMBL3342614) Show SMILES Cc1cc(Cl)ccc1-n1c(C)nc2ccc(cc2c1=O)C(=O)c1cnn(C)c1O |(41.86,-39.5,;43.21,-40.23,;44.52,-39.43,;45.88,-40.17,;47.19,-39.37,;45.91,-41.71,;44.6,-42.51,;43.25,-41.77,;41.94,-42.57,;41.97,-44.12,;43.32,-44.86,;40.64,-44.92,;39.29,-44.18,;37.97,-44.97,;36.62,-44.23,;36.6,-42.69,;37.91,-41.89,;39.25,-42.63,;40.57,-41.82,;40.54,-40.28,;35.25,-41.94,;35.22,-40.4,;33.93,-42.74,;33.8,-44.27,;32.3,-44.63,;31.51,-43.31,;29.97,-43.18,;32.51,-42.14,;32.15,-40.64,)| Show InChI InChI=1S/C21H17ClN4O3/c1-11-8-14(22)5-7-18(11)26-12(2)24-17-6-4-13(9-15(17)21(26)29)19(27)16-10-23-25(3)20(16)28/h4-10,28H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of purified His6-tagged recombinant human HPPD assessed as inhibition of maleylacetoacetate formation after 30 mins by UV/visible spectrop...				Bioorg Med Chem 22: 5194-211 (2014) Article DOI: 10.1016/j.bmc.2014.08.011 BindingDB Entry DOI: 10.7270/Q2DF6SRG
					More data for this Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase (Homo sapiens (Human))	BDBM50024718 (CHEMBL3342606) Show SMILES COc1cccc(c1)-n1c(C)nc2ccc(cc2c1=O)C(=O)c1cnn(C)c1O Show InChI InChI=1S/C21H18N4O4/c1-12-23-18-8-7-13(19(26)17-11-22-24(2)20(17)27)9-16(18)21(28)25(12)14-5-4-6-15(10-14)29-3/h4-11,27H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of purified His6-tagged recombinant human HPPD assessed as inhibition of maleylacetoacetate formation after 30 mins by UV/visible spectrop...				Bioorg Med Chem 22: 5194-211 (2014) Article DOI: 10.1016/j.bmc.2014.08.011 BindingDB Entry DOI: 10.7270/Q2DF6SRG
					More data for this Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase (Homo sapiens (Human))	BDBM50024760 (CHEMBL3342608) Show SMILES Cc1nc2ccc(cc2c(=O)n1-c1ccc(F)cc1)C(=O)c1cnn(C)c1O Show InChI InChI=1S/C20H15FN4O3/c1-11-23-17-8-3-12(18(26)16-10-22-24(2)19(16)27)9-15(17)20(28)25(11)14-6-4-13(21)5-7-14/h3-10,27H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of purified His6-tagged recombinant human HPPD assessed as inhibition of maleylacetoacetate formation after 30 mins by UV/visible spectrop...				Bioorg Med Chem 22: 5194-211 (2014) Article DOI: 10.1016/j.bmc.2014.08.011 BindingDB Entry DOI: 10.7270/Q2DF6SRG
					More data for this Ligand-Target Pair
Beta-glucuronidase (Escherichia coli (Enterobacteria))	BDBM50511223 (CHEMBL4589187) Show SMILES O[C@@H]1CNC[C@@H]([C@H]1O)C(O)=O |r| Show InChI InChI=1S/C6H11NO4/c8-4-2-7-1-3(5(4)9)6(10)11/h3-5,7-9H,1-2H2,(H,10,11)/t3-,4+,5+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Academia Sinica Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GUS pre-incubated for 5 to 30 mins before 4-methylumbelliferone beta-D-glucuronide substrate addition at pH 5.5				J Med Chem 63: 4617-4627 (2020) Article DOI: 10.1021/acs.jmedchem.9b01918 BindingDB Entry DOI: 10.7270/Q2CJ8HTJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
4-hydroxyphenylpyruvate dioxygenase (Homo sapiens (Human))	BDBM50088804 (1,3-Cyclohexanedione, 2-(2-nitro-4-(trifluoromethy...) Show SMILES [O-][N+](=O)c1cc(ccc1C(=O)C1C(=O)CCCC1=O)C(F)(F)F Show InChI InChI=1S/C14H10F3NO5/c15-14(16,17)7-4-5-8(9(6-7)18(22)23)13(21)12-10(19)2-1-3-11(12)20/h4-6,12H,1-3H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of purified His6-tagged recombinant human HPPD assessed as inhibition of maleylacetoacetate formation after 30 mins by UV/visible spectrop...				Bioorg Med Chem 22: 5194-211 (2014) Article DOI: 10.1016/j.bmc.2014.08.011 BindingDB Entry DOI: 10.7270/Q2DF6SRG
					More data for this Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase (Homo sapiens (Human))	BDBM50024723 (CHEMBL3342601) Show SMILES COc1ccccc1-n1c(C)nc2ccc(cc2c1=O)C(=O)c1cnn(C)c1O |(24.63,-14.14,;23.28,-13.4,;23.25,-11.86,;24.57,-11.06,;24.54,-9.52,;23.18,-8.78,;21.87,-9.58,;21.91,-11.12,;20.59,-11.92,;20.63,-13.47,;21.98,-14.21,;19.3,-14.27,;17.95,-13.53,;16.63,-14.32,;15.28,-13.58,;15.25,-12.03,;16.56,-11.24,;17.91,-11.98,;19.23,-11.17,;19.19,-9.63,;13.91,-11.29,;13.87,-9.75,;12.59,-12.09,;12.46,-13.62,;10.96,-13.97,;10.16,-12.66,;8.63,-12.53,;11.16,-11.49,;10.81,-9.99,)| Show InChI InChI=1S/C21H18N4O4/c1-12-23-16-9-8-13(19(26)15-11-22-24(2)20(15)27)10-14(16)21(28)25(12)17-6-4-5-7-18(17)29-3/h4-11,27H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of purified His6-tagged recombinant human HPPD assessed as inhibition of maleylacetoacetate formation after 30 mins by UV/visible spectrop...				Bioorg Med Chem 22: 5194-211 (2014) Article DOI: 10.1016/j.bmc.2014.08.011 BindingDB Entry DOI: 10.7270/Q2DF6SRG
					More data for this Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase (Homo sapiens (Human))	BDBM50024753 (CHEMBL3343182) Show SMILES Cc1cc(F)ccc1-n1c(C)nc2ccc(cc2c1=O)C(=O)c1cnn(C)c1O |(59.16,-38.71,;60.52,-39.45,;61.83,-38.65,;63.19,-39.39,;64.5,-38.59,;63.22,-40.93,;61.9,-41.73,;60.56,-40.98,;59.24,-41.78,;59.28,-43.33,;60.63,-44.08,;57.95,-44.14,;56.6,-43.39,;55.28,-44.19,;53.93,-43.44,;53.9,-41.9,;55.21,-41.11,;56.56,-41.84,;57.88,-41.03,;57.84,-39.49,;52.55,-41.16,;52.52,-39.62,;51.24,-41.95,;51.1,-43.49,;49.61,-43.84,;48.81,-42.52,;47.28,-42.4,;49.81,-41.36,;49.46,-39.86,)| Show InChI InChI=1S/C21H17FN4O3/c1-11-8-14(22)5-7-18(11)26-12(2)24-17-6-4-13(9-15(17)21(26)29)19(27)16-10-23-25(3)20(16)28/h4-10,28H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of purified His6-tagged recombinant human HPPD assessed as inhibition of maleylacetoacetate formation after 30 mins by UV/visible spectrop...				Bioorg Med Chem 22: 5194-211 (2014) Article DOI: 10.1016/j.bmc.2014.08.011 BindingDB Entry DOI: 10.7270/Q2DF6SRG
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50394449 (CHEMBL2159660) Show SMILES CC(=O)c1ccccc1NC(=O)c1ccc(OCCCCC[n+]2ccc3ccccc3c2)cc1 Show InChI InChI=1S/C29H28N2O3/c1-22(32)27-11-5-6-12-28(27)30-29(33)24-13-15-26(16-14-24)34-20-8-2-7-18-31-19-17-23-9-3-4-10-25(23)21-31/h3-6,9-17,19,21H,2,7-8,18,20H2,1H3/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE using acetylthiocholine as substrate				Bioorg Med Chem 20: 6739-50 (2012) Article DOI: 10.1016/j.bmc.2012.09.016 BindingDB Entry DOI: 10.7270/Q2ZW1N1Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50394450 (CHEMBL2159659) Show SMILES CC(=O)c1ccccc1NC(=O)c1ccc(OCCCC[n+]2ccc3ccccc3c2)cc1 Show InChI InChI=1S/C28H26N2O3/c1-21(31)26-10-4-5-11-27(26)29-28(32)23-12-14-25(15-13-23)33-19-7-6-17-30-18-16-22-8-2-3-9-24(22)20-30/h2-5,8-16,18,20H,6-7,17,19H2,1H3/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE using acetylthiocholine as substrate				Bioorg Med Chem 20: 6739-50 (2012) Article DOI: 10.1016/j.bmc.2012.09.016 BindingDB Entry DOI: 10.7270/Q2ZW1N1Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50394445 (CHEMBL2159664) Show SMILES CC(=O)c1ccccc1NC(=O)c1ccc(OCCCCCC[n+]2ccccc2)cc1 Show InChI InChI=1S/C26H28N2O3/c1-21(29)24-11-5-6-12-25(24)27-26(30)22-13-15-23(16-14-22)31-20-10-3-2-7-17-28-18-8-4-9-19-28/h4-6,8-9,11-16,18-19H,2-3,7,10,17,20H2,1H3/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE using acetylthiocholine as substrate				Bioorg Med Chem 20: 6739-50 (2012) Article DOI: 10.1016/j.bmc.2012.09.016 BindingDB Entry DOI: 10.7270/Q2ZW1N1Z
					More data for this Ligand-Target Pair
Beta-glucuronidase (Bos taurus (Bovine))	BDBM50511223 (CHEMBL4589187) Show SMILES O[C@@H]1CNC[C@@H]([C@H]1O)C(O)=O |r| Show InChI InChI=1S/C6H11NO4/c8-4-2-7-1-3(5(4)9)6(10)11/h3-5,7-9H,1-2H2,(H,10,11)/t3-,4+,5+/m0/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Academia Sinica Curated by ChEMBL					Assay Description Inhibition of bovine GUS pre-incubated for 5 to 30 mins before 4-methylumbelliferone beta-D-glucuronide substrate addition at pH 4.5				J Med Chem 63: 4617-4627 (2020) Article DOI: 10.1021/acs.jmedchem.9b01918 BindingDB Entry DOI: 10.7270/Q2CJ8HTJ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50394451 (CHEMBL2159658) Show SMILES CC(=O)c1ccccc1NC(=O)c1ccc(OCCCC[n+]2cccc3ccccc23)cc1 Show InChI InChI=1S/C28H26N2O3/c1-21(31)25-11-3-4-12-26(25)29-28(32)23-14-16-24(17-15-23)33-20-7-6-18-30-19-8-10-22-9-2-5-13-27(22)30/h2-5,8-17,19H,6-7,18,20H2,1H3/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE using acetylthiocholine as substrate				Bioorg Med Chem 20: 6739-50 (2012) Article DOI: 10.1016/j.bmc.2012.09.016 BindingDB Entry DOI: 10.7270/Q2ZW1N1Z
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50394447 (CHEMBL2159662) Show SMILES CC(=O)c1ccccc1NC(=O)c1ccc(OCCCCC[n+]2cccc3ccccc23)cc1 Show InChI InChI=1S/C29H28N2O3/c1-22(32)26-12-4-5-13-27(26)30-29(33)24-15-17-25(18-16-24)34-21-8-2-7-19-31-20-9-11-23-10-3-6-14-28(23)31/h3-6,9-18,20H,2,7-8,19,21H2,1H3/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human recombinant BChE using acetylthiocholine as substrate				Bioorg Med Chem 20: 6739-50 (2012) Article DOI: 10.1016/j.bmc.2012.09.016 BindingDB Entry DOI: 10.7270/Q2ZW1N1Z
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50394450 (CHEMBL2159659) Show SMILES CC(=O)c1ccccc1NC(=O)c1ccc(OCCCC[n+]2ccc3ccccc3c2)cc1 Show InChI InChI=1S/C28H26N2O3/c1-21(31)26-10-4-5-11-27(26)29-28(32)23-12-14-25(15-13-23)33-19-7-6-17-30-18-16-22-8-2-3-9-24(22)20-30/h2-5,8-16,18,20H,6-7,17,19H2,1H3/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human recombinant BChE using acetylthiocholine as substrate				Bioorg Med Chem 20: 6739-50 (2012) Article DOI: 10.1016/j.bmc.2012.09.016 BindingDB Entry DOI: 10.7270/Q2ZW1N1Z
					More data for this Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase (Homo sapiens (Human))	BDBM50024724 (CHEMBL3342600) Show SMILES Cc1ccccc1-n1c(C)nc2ccc(cc2c1=O)C(=O)c1cnn(C)c1O |(6.33,-13.22,;6.3,-11.68,;7.61,-10.88,;7.58,-9.34,;6.22,-8.6,;4.91,-9.4,;4.95,-10.93,;3.64,-11.73,;3.67,-13.28,;5.02,-14.02,;2.34,-14.09,;.99,-13.34,;-.34,-14.14,;-1.68,-13.39,;-1.7,-11.85,;-.4,-11.06,;.96,-11.79,;2.27,-10.98,;2.24,-9.44,;-3.06,-11.11,;-3.09,-9.57,;-4.37,-11.9,;-4.51,-13.44,;-6.01,-13.79,;-6.8,-12.47,;-8.33,-12.35,;-5.79,-11.31,;-6.16,-9.81,)| Show InChI InChI=1S/C21H18N4O3/c1-12-6-4-5-7-18(12)25-13(2)23-17-9-8-14(10-15(17)21(25)28)19(26)16-11-22-24(3)20(16)27/h4-11,27H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of purified His6-tagged recombinant human HPPD assessed as inhibition of maleylacetoacetate formation after 30 mins by UV/visible spectrop...				Bioorg Med Chem 22: 5194-211 (2014) Article DOI: 10.1016/j.bmc.2014.08.011 BindingDB Entry DOI: 10.7270/Q2DF6SRG
					More data for this Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase (Homo sapiens (Human))	BDBM50024748 (CHEMBL3343187) Show SMILES Cc1ccc(c(C)c1)-n1c(C)nc2ccc(cc2c1=O)C(=O)c1cnn(C)c1O |(30.83,-34.46,;29.51,-35.26,;29.55,-36.8,;28.23,-37.6,;26.89,-36.85,;26.84,-35.32,;25.49,-34.58,;28.16,-34.52,;25.57,-37.65,;25.61,-39.2,;26.96,-39.95,;24.28,-40.01,;22.92,-39.26,;21.61,-40.06,;20.26,-39.31,;20.23,-37.77,;21.54,-36.98,;22.89,-37.71,;24.21,-36.9,;24.17,-35.36,;18.88,-37.03,;18.85,-35.49,;17.57,-37.82,;17.43,-39.36,;15.94,-39.71,;15.14,-38.39,;13.61,-38.27,;16.14,-37.23,;15.79,-35.73,)| Show InChI InChI=1S/C22H20N4O3/c1-12-5-8-19(13(2)9-12)26-14(3)24-18-7-6-15(10-16(18)22(26)29)20(27)17-11-23-25(4)21(17)28/h5-11,28H,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of purified His6-tagged recombinant human HPPD assessed as inhibition of maleylacetoacetate formation after 30 mins by UV/visible spectrop...				Bioorg Med Chem 22: 5194-211 (2014) Article DOI: 10.1016/j.bmc.2014.08.011 BindingDB Entry DOI: 10.7270/Q2DF6SRG
					More data for this Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase (Homo sapiens (Human))	BDBM50024756 (CHEMBL3342612) Show SMILES COc1ccc(cc1)-n1c(C)nc2ccc(cc2c1=O)C(=O)c1cnn(C)c1O Show InChI InChI=1S/C21H18N4O4/c1-12-23-18-9-4-13(19(26)17-11-22-24(2)20(17)27)10-16(18)21(28)25(12)14-5-7-15(29-3)8-6-14/h4-11,27H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of purified His6-tagged recombinant human HPPD assessed as inhibition of maleylacetoacetate formation after 30 mins by UV/visible spectrop...				Bioorg Med Chem 22: 5194-211 (2014) Article DOI: 10.1016/j.bmc.2014.08.011 BindingDB Entry DOI: 10.7270/Q2DF6SRG
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM10404 ((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...) Show SMILES COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:12| Show InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1	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	DrugBank PDB Article PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE using acetylthiocholine as substrate				Bioorg Med Chem 20: 6739-50 (2012) Article DOI: 10.1016/j.bmc.2012.09.016 BindingDB Entry DOI: 10.7270/Q2ZW1N1Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cholinesterase (Homo sapiens (Human))	BDBM50394445 (CHEMBL2159664) Show SMILES CC(=O)c1ccccc1NC(=O)c1ccc(OCCCCCC[n+]2ccccc2)cc1 Show InChI InChI=1S/C26H28N2O3/c1-21(29)24-11-5-6-12-25(24)27-26(30)22-13-15-23(16-14-22)31-20-10-3-2-7-17-28-18-8-4-9-19-28/h4-6,8-9,11-16,18-19H,2-3,7,10,17,20H2,1H3/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human recombinant BChE using acetylthiocholine as substrate				Bioorg Med Chem 20: 6739-50 (2012) Article DOI: 10.1016/j.bmc.2012.09.016 BindingDB Entry DOI: 10.7270/Q2ZW1N1Z
					More data for this Ligand-Target Pair
Beta-glucuronidase (Escherichia coli (Enterobacteria))	BDBM50511221 (CHEMBL4451253) Show SMILES CCC[C@@H]1NC[C@@H](O)[C@H](O)[C@H]1C(O)=O |r| Show InChI InChI=1S/C9H17NO4/c1-2-3-5-7(9(13)14)8(12)6(11)4-10-5/h5-8,10-12H,2-4H2,1H3,(H,13,14)/t5-,6+,7-,8-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Academia Sinica Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GUS pre-incubated for 5 to 30 mins before 4-methylumbelliferone beta-D-glucuronide substrate addition at pH 6.7				J Med Chem 63: 4617-4627 (2020) Article DOI: 10.1021/acs.jmedchem.9b01918 BindingDB Entry DOI: 10.7270/Q2CJ8HTJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
4-hydroxyphenylpyruvate dioxygenase (Homo sapiens (Human))	BDBM50024743 (CHEMBL3342416) Show SMILES Cc1nn(C)c(O)c1C(=O)c1ccc2nc(C)n(-c3cccc(C)c3)c(=O)c2c1 Show InChI InChI=1S/C22H20N4O3/c1-12-6-5-7-16(10-12)26-14(3)23-18-9-8-15(11-17(18)21(26)28)20(27)19-13(2)24-25(4)22(19)29/h5-11,29H,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of purified His6-tagged recombinant human HPPD assessed as inhibition of maleylacetoacetate formation after 30 mins by UV/visible spectrop...				Bioorg Med Chem 22: 5194-211 (2014) Article DOI: 10.1016/j.bmc.2014.08.011 BindingDB Entry DOI: 10.7270/Q2DF6SRG
					More data for this Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase (Homo sapiens (Human))	BDBM50024744 (CHEMBL3342415) Show SMILES Cc1nn(C)c(O)c1C(=O)c1ccc2nc(C)n(-c3ccccc3F)c(=O)c2c1 |(4.02,-15.93,;2.85,-14.93,;1.35,-15.28,;.56,-13.96,;-.98,-13.84,;1.56,-12.8,;1.2,-11.3,;2.98,-13.39,;4.3,-12.6,;4.27,-11.06,;5.65,-13.34,;5.68,-14.88,;7.02,-15.63,;8.34,-14.83,;9.7,-15.58,;11.02,-14.77,;12.37,-15.52,;10.99,-13.22,;12.3,-12.42,;13.65,-13.17,;14.96,-12.37,;14.93,-10.83,;13.57,-10.09,;12.26,-10.89,;10.91,-10.15,;9.63,-12.47,;9.59,-10.93,;8.31,-13.28,;6.96,-12.55,)| Show InChI InChI=1S/C21H17FN4O3/c1-11-18(21(29)25(3)24-11)19(27)13-8-9-16-14(10-13)20(28)26(12(2)23-16)17-7-5-4-6-15(17)22/h4-10,29H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of purified His6-tagged recombinant human HPPD assessed as inhibition of maleylacetoacetate formation after 30 mins by UV/visible spectrop...				Bioorg Med Chem 22: 5194-211 (2014) Article DOI: 10.1016/j.bmc.2014.08.011 BindingDB Entry DOI: 10.7270/Q2DF6SRG
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50394446 (CHEMBL2159663) Show SMILES CC(=O)c1ccccc1NC(=O)c1ccc(OCCCCC[n+]2ccccc2)cc1 Show InChI InChI=1S/C25H26N2O3/c1-20(28)23-10-4-5-11-24(23)26-25(29)21-12-14-22(15-13-21)30-19-9-3-8-18-27-16-6-2-7-17-27/h2,4-7,10-17H,3,8-9,18-19H2,1H3/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	81	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE using acetylthiocholine as substrate				Bioorg Med Chem 20: 6739-50 (2012) Article DOI: 10.1016/j.bmc.2012.09.016 BindingDB Entry DOI: 10.7270/Q2ZW1N1Z
					More data for this Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase (Homo sapiens (Human))	BDBM50024733 (CHEMBL3342426) Show SMILES Cc1nn(C)c(O)c1C(=O)c1ccc2nc(C)n(-c3ccc(C)cc3F)c(=O)c2c1 |(40.74,-42.2,;39.58,-41.19,;38.08,-41.55,;37.28,-40.23,;35.75,-40.1,;38.28,-39.06,;37.93,-37.56,;39.71,-39.66,;41.03,-38.86,;41,-37.32,;42.38,-39.61,;42.4,-41.15,;43.75,-41.89,;45.07,-41.1,;46.42,-41.84,;47.75,-41.04,;49.1,-41.78,;47.72,-39.49,;49.03,-38.69,;50.37,-39.43,;51.69,-38.63,;51.66,-37.09,;52.97,-36.29,;50.3,-36.35,;48.99,-37.15,;47.63,-36.42,;46.35,-38.74,;46.32,-37.2,;45.03,-39.55,;43.68,-38.81,)| Show InChI InChI=1S/C22H19FN4O3/c1-11-5-8-18(16(23)9-11)27-13(3)24-17-7-6-14(10-15(17)21(27)29)20(28)19-12(2)25-26(4)22(19)30/h5-10,30H,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	81	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of purified His6-tagged recombinant human HPPD assessed as inhibition of maleylacetoacetate formation after 30 mins by UV/visible spectrop...				Bioorg Med Chem 22: 5194-211 (2014) Article DOI: 10.1016/j.bmc.2014.08.011 BindingDB Entry DOI: 10.7270/Q2DF6SRG
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50394449 (CHEMBL2159660) Show SMILES CC(=O)c1ccccc1NC(=O)c1ccc(OCCCCC[n+]2ccc3ccccc3c2)cc1 Show InChI InChI=1S/C29H28N2O3/c1-22(32)27-11-5-6-12-28(27)30-29(33)24-13-15-26(16-14-24)34-20-8-2-7-18-31-19-17-23-9-3-4-10-25(23)21-31/h3-6,9-17,19,21H,2,7-8,18,20H2,1H3/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	82	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human recombinant BChE using acetylthiocholine as substrate				Bioorg Med Chem 20: 6739-50 (2012) Article DOI: 10.1016/j.bmc.2012.09.016 BindingDB Entry DOI: 10.7270/Q2ZW1N1Z
					More data for this Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase (Homo sapiens (Human))	BDBM50024747 (CHEMBL3342412) Show SMILES Cc1nn(C)c(O)c1C(=O)c1ccc2nc(C)n(-c3ccccc3Cl)c(=O)c2c1 |(5.74,-6.55,;4.58,-5.55,;3.08,-5.9,;2.28,-4.58,;.75,-4.46,;3.28,-3.42,;2.93,-1.92,;4.71,-4.01,;6.03,-3.22,;6,-1.68,;7.38,-3.96,;7.4,-5.5,;8.75,-6.25,;10.07,-5.45,;11.42,-6.2,;12.75,-5.39,;14.1,-6.14,;12.71,-3.84,;14.03,-3.04,;13.99,-1.51,;15.3,-.71,;16.66,-1.45,;16.69,-2.99,;15.37,-3.79,;15.4,-5.33,;11.35,-3.09,;11.31,-1.55,;10.03,-3.9,;8.68,-3.17,)| Show InChI InChI=1S/C21H17ClN4O3/c1-11-18(21(29)25(3)24-11)19(27)13-8-9-16-14(10-13)20(28)26(12(2)23-16)17-7-5-4-6-15(17)22/h4-10,29H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	86	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of purified His6-tagged recombinant human HPPD assessed as inhibition of maleylacetoacetate formation after 30 mins by UV/visible spectrop...				Bioorg Med Chem 22: 5194-211 (2014) Article DOI: 10.1016/j.bmc.2014.08.011 BindingDB Entry DOI: 10.7270/Q2DF6SRG
					More data for this Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase (Homo sapiens (Human))	BDBM50024731 (CHEMBL3342428) Show SMILES Cc1nn(C)c(O)c1C(=O)c1ccc2nc(C)n(-c3ccc(C)cc3Br)c(=O)c2c1 |(19.9,-51.81,;18.73,-50.81,;17.23,-51.16,;16.44,-49.84,;14.91,-49.72,;17.44,-48.67,;17.09,-47.18,;18.86,-49.27,;20.18,-48.48,;20.15,-46.94,;21.53,-49.22,;21.56,-50.76,;22.91,-51.51,;24.22,-50.71,;25.58,-51.46,;26.91,-50.65,;28.26,-51.39,;26.87,-49.1,;28.19,-48.3,;29.53,-49.04,;30.85,-48.25,;30.81,-46.71,;32.13,-45.91,;29.45,-45.97,;28.14,-46.77,;26.79,-46.03,;25.51,-48.35,;25.47,-46.81,;24.19,-49.16,;22.84,-48.43,)| Show InChI InChI=1S/C22H19BrN4O3/c1-11-5-8-18(16(23)9-11)27-13(3)24-17-7-6-14(10-15(17)21(27)29)20(28)19-12(2)25-26(4)22(19)30/h5-10,30H,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	87	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of purified His6-tagged recombinant human HPPD assessed as inhibition of maleylacetoacetate formation after 30 mins by UV/visible spectrop...				Bioorg Med Chem 22: 5194-211 (2014) Article DOI: 10.1016/j.bmc.2014.08.011 BindingDB Entry DOI: 10.7270/Q2DF6SRG
					More data for this Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase (Homo sapiens (Human))	BDBM50024740 (CHEMBL3342419) Show SMILES Cc1nn(C)c(O)c1C(=O)c1ccc2nc(C)n(-c3cccc(F)c3)c(=O)c2c1 Show InChI InChI=1S/C21H17FN4O3/c1-11-18(21(29)25(3)24-11)19(27)13-7-8-17-16(9-13)20(28)26(12(2)23-17)15-6-4-5-14(22)10-15/h4-10,29H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of purified His6-tagged recombinant human HPPD assessed as inhibition of maleylacetoacetate formation after 30 mins by UV/visible spectrop...				Bioorg Med Chem 22: 5194-211 (2014) Article DOI: 10.1016/j.bmc.2014.08.011 BindingDB Entry DOI: 10.7270/Q2DF6SRG
					More data for this Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase (Homo sapiens (Human))	BDBM50024749 (CHEMBL3343186) Show SMILES Cc1ccc(c(Cl)c1)-n1c(C)nc2ccc(cc2c1=O)C(=O)c1cnn(C)c1O |(60,-48.32,;58.68,-49.12,;58.71,-50.67,;57.4,-51.46,;56.06,-50.72,;56.01,-49.19,;54.66,-48.45,;57.32,-48.38,;54.74,-51.52,;54.77,-53.07,;56.12,-53.81,;53.45,-53.87,;52.09,-53.13,;50.77,-53.92,;49.43,-53.18,;49.4,-51.64,;50.71,-50.84,;52.06,-51.58,;53.38,-50.77,;53.34,-49.23,;48.05,-50.89,;48.02,-49.35,;46.73,-51.69,;46.6,-53.23,;45.1,-53.58,;44.31,-52.26,;42.77,-52.14,;45.31,-51.09,;44.95,-49.59,)| Show InChI InChI=1S/C21H17ClN4O3/c1-11-4-7-18(16(22)8-11)26-12(2)24-17-6-5-13(9-14(17)21(26)29)19(27)15-10-23-25(3)20(15)28/h4-10,28H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of purified His6-tagged recombinant human HPPD assessed as inhibition of maleylacetoacetate formation after 30 mins by UV/visible spectrop...				Bioorg Med Chem 22: 5194-211 (2014) Article DOI: 10.1016/j.bmc.2014.08.011 BindingDB Entry DOI: 10.7270/Q2DF6SRG
					More data for this Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase (Homo sapiens (Human))	BDBM50024741 (CHEMBL3342418) Show SMILES Cc1nn(C)c(O)c1C(=O)c1ccc2nc(C)n(-c3cccc(Br)c3)c(=O)c2c1 Show InChI InChI=1S/C21H17BrN4O3/c1-11-18(21(29)25(3)24-11)19(27)13-7-8-17-16(9-13)20(28)26(12(2)23-17)15-6-4-5-14(22)10-15/h4-10,29H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	93	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of purified His6-tagged recombinant human HPPD assessed as inhibition of maleylacetoacetate formation after 30 mins by UV/visible spectrop...				Bioorg Med Chem 22: 5194-211 (2014) Article DOI: 10.1016/j.bmc.2014.08.011 BindingDB Entry DOI: 10.7270/Q2DF6SRG
					More data for this Ligand-Target Pair

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