Compile Data Set for Download or QSAR

Found 106 hits with Last Name = 'dong' and Initial = 'n'   

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
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM15581 (CHEMBL8706 | CLG | CLORGILINE | Clorgyline | N-[3-...) Show SMILES CN(CCCOc1ccc(Cl)cc1Cl)CC#C Show InChI InChI=1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human MAOA using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured after 15 mins by ...				Eur J Med Chem 143: 33-47 (2018) Article DOI: 10.1016/j.ejmech.2017.08.025 BindingDB Entry DOI: 10.7270/Q2C53PC3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50199522 ((+)-huperzine A | (+-)-HA | (-)-1-Amino-13-ethylid...) Show SMILES C\C=C1/[C@@H]2Cc3[nH]c(=O)ccc3[C@@]1(N)CC(C)=C2 |r,c:18,THB:1:2:14.15.17:5.11.4| Show InChI InChI=1S/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-6,10H,7-8,16H2,1-2H3,(H,17,18)/b11-3+/t10-,15+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	98	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of AChE in rat cortex homogenate using acetylthiocholine iodide as substrate after 20 mins by Ellman's method				Eur J Med Chem 143: 33-47 (2018) Article DOI: 10.1016/j.ejmech.2017.08.025 BindingDB Entry DOI: 10.7270/Q2C53PC3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50172756 (Benzyl-methyl-prop-2-ynyl-amine | CHEMBL673 | Euto...) Show SMILES CN(CC#C)Cc1ccccc1 Show InChI InChI=1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	188	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human MAOB using benzylamine as substrate preincubated for 15 mins followed by substrate addition measured after 15 mins by...				Eur J Med Chem 143: 33-47 (2018) Article DOI: 10.1016/j.ejmech.2017.08.025 BindingDB Entry DOI: 10.7270/Q2C53PC3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50284434 (CHEMBL4163995) Show SMILES CCNC(=S)Nc1cc(ncn1)-n1cnc(CCNCC#C)c1 Show InChI InChI=1S/C15H19N7S/c1-3-6-16-7-5-12-9-22(11-20-12)14-8-13(18-10-19-14)21-15(23)17-4-2/h1,8-11,16H,4-7H2,2H3,(H2,17,18,19,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	228	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of AChE in rat cortex homogenate using acetylthiocholine iodide as substrate after 20 mins by Ellman's method				Eur J Med Chem 143: 33-47 (2018) Article DOI: 10.1016/j.ejmech.2017.08.025 BindingDB Entry DOI: 10.7270/Q2C53PC3
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50082665 (4-(dimethylamino)-N-(7-(hydroxyamino)-7-oxoheptyl)...) Show SMILES CN(C)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO Show InChI InChI=1S/C16H25N3O3/c1-19(2)14-10-8-13(9-11-14)16(21)17-12-6-4-3-5-7-15(20)18-22/h8-11,22H,3-7,12H2,1-2H3,(H,17,21)(H,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human LTA4H aminopeptidase activity expressed in Escherichia coli BL21 (DE3) pLysS assessed as formation of p-NA from Ala-p...				J Med Chem 60: 1817-1828 (2017) Article DOI: 10.1021/acs.jmedchem.6b01507 BindingDB Entry DOI: 10.7270/Q2VM4FJN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50284335 (CHEMBL4162742) Show SMILES CCNC(=S)Nc1cc(ncn1)-n1cnc(CN(C)CC#C)c1 Show InChI InChI=1S/C15H19N7S/c1-4-6-21(3)8-12-9-22(11-19-12)14-7-13(17-10-18-14)20-15(23)16-5-2/h1,7,9-11H,5-6,8H2,2-3H3,(H2,16,17,18,20,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	324	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of AChE in rat cortex homogenate using acetylthiocholine iodide as substrate after 20 mins by Ellman's method				Eur J Med Chem 143: 33-47 (2018) Article DOI: 10.1016/j.ejmech.2017.08.025 BindingDB Entry DOI: 10.7270/Q2C53PC3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50284433 (CHEMBL4174105) Show SMILES CCNC(=S)Nc1cc(ncn1)-n1cnc(CNCC#C)c1 Show InChI InChI=1S/C14H17N7S/c1-3-5-15-7-11-8-21(10-19-11)13-6-12(17-9-18-13)20-14(22)16-4-2/h1,6,8-10,15H,4-5,7H2,2H3,(H2,16,17,18,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	354	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of AChE in rat cortex homogenate using acetylthiocholine iodide as substrate after 20 mins by Ellman's method				Eur J Med Chem 143: 33-47 (2018) Article DOI: 10.1016/j.ejmech.2017.08.025 BindingDB Entry DOI: 10.7270/Q2C53PC3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50284432 (CHEMBL4175437) Show SMILES CCNC(=S)Nc1cc(ncn1)-n1cnc(CCCNCC#C)c1 Show InChI InChI=1S/C16H21N7S/c1-3-7-17-8-5-6-13-10-23(12-21-13)15-9-14(19-11-20-15)22-16(24)18-4-2/h1,9-12,17H,4-8H2,2H3,(H2,18,19,20,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	381	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of AChE in rat cortex homogenate using acetylthiocholine iodide as substrate after 20 mins by Ellman's method				Eur J Med Chem 143: 33-47 (2018) Article DOI: 10.1016/j.ejmech.2017.08.025 BindingDB Entry DOI: 10.7270/Q2C53PC3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50284336 (CHEMBL4174653) Show SMILES CCNC(=S)Nc1cc(ncn1)-n1cnc(CCN(C)CC#C)c1 Show InChI InChI=1S/C16H21N7S/c1-4-7-22(3)8-6-13-10-23(12-20-13)15-9-14(18-11-19-15)21-16(24)17-5-2/h1,9-12H,5-8H2,2-3H3,(H2,17,18,19,21,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	392	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of AChE in rat cortex homogenate using acetylthiocholine iodide as substrate after 20 mins by Ellman's method				Eur J Med Chem 143: 33-47 (2018) Article DOI: 10.1016/j.ejmech.2017.08.025 BindingDB Entry DOI: 10.7270/Q2C53PC3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50284331 (CHEMBL4164807) Show SMILES CCNC(=S)Nc1cc(ncn1)-n1cnc(CCCN(C)CC#C)c1 Show InChI InChI=1S/C17H23N7S/c1-4-8-23(3)9-6-7-14-11-24(13-21-14)16-10-15(19-12-20-16)22-17(25)18-5-2/h1,10-13H,5-9H2,2-3H3,(H2,18,19,20,22,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	459	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of AChE in rat cortex homogenate using acetylthiocholine iodide as substrate after 20 mins by Ellman's method				Eur J Med Chem 143: 33-47 (2018) Article DOI: 10.1016/j.ejmech.2017.08.025 BindingDB Entry DOI: 10.7270/Q2C53PC3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50284339 (CHEMBL4170678) Show SMILES CCNC(=S)Nc1cc(ncn1)-n1cnc(CN(CC)CC#C)c1 Show InChI InChI=1S/C16H21N7S/c1-4-7-22(6-3)9-13-10-23(12-20-13)15-8-14(18-11-19-15)21-16(24)17-5-2/h1,8,10-12H,5-7,9H2,2-3H3,(H2,17,18,19,21,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	482	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of AChE in rat cortex homogenate using acetylthiocholine iodide as substrate after 20 mins by Ellman's method				Eur J Med Chem 143: 33-47 (2018) Article DOI: 10.1016/j.ejmech.2017.08.025 BindingDB Entry DOI: 10.7270/Q2C53PC3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50284338 (CHEMBL4160334) Show SMILES CCNC(=S)Nc1cc(ncn1)-n1cnc(CN2CCN(CC#C)CC2)c1 Show InChI InChI=1S/C18H24N8S/c1-3-5-24-6-8-25(9-7-24)11-15-12-26(14-22-15)17-10-16(20-13-21-17)23-18(27)19-4-2/h1,10,12-14H,4-9,11H2,2H3,(H2,19,20,21,23,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	482	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of AChE in rat cortex homogenate using acetylthiocholine iodide as substrate after 20 mins by Ellman's method				Eur J Med Chem 143: 33-47 (2018) Article DOI: 10.1016/j.ejmech.2017.08.025 BindingDB Entry DOI: 10.7270/Q2C53PC3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50284430 (CHEMBL4174258) Show SMILES CCCN(CC#C)Cc1cn(cn1)-c1cc(NC(=S)NCC)ncn1 Show InChI InChI=1S/C17H23N7S/c1-4-7-23(8-5-2)10-14-11-24(13-21-14)16-9-15(19-12-20-16)22-17(25)18-6-3/h1,9,11-13H,5-8,10H2,2-3H3,(H2,18,19,20,22,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	485	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of AChE in rat cortex homogenate using acetylthiocholine iodide as substrate after 20 mins by Ellman's method				Eur J Med Chem 143: 33-47 (2018) Article DOI: 10.1016/j.ejmech.2017.08.025 BindingDB Entry DOI: 10.7270/Q2C53PC3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50284334 (CHEMBL4170832) Show SMILES CCNC(=S)Nc1cc(ncn1)-n1cnc(CN(CC#C)C(C)=O)c1 Show InChI InChI=1S/C16H19N7OS/c1-4-6-22(12(3)24)8-13-9-23(11-20-13)15-7-14(18-10-19-15)21-16(25)17-5-2/h1,7,9-11H,5-6,8H2,2-3H3,(H2,17,18,19,21,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	515	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of AChE in rat cortex homogenate using acetylthiocholine iodide as substrate after 20 mins by Ellman's method				Eur J Med Chem 143: 33-47 (2018) Article DOI: 10.1016/j.ejmech.2017.08.025 BindingDB Entry DOI: 10.7270/Q2C53PC3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50284333 (CHEMBL4164119) Show SMILES CCNC(=S)Nc1cc(ncn1)-n1cnc(CN(CC#C)Cc2ccccc2)c1 Show InChI InChI=1S/C21H23N7S/c1-3-10-27(12-17-8-6-5-7-9-17)13-18-14-28(16-25-18)20-11-19(23-15-24-20)26-21(29)22-4-2/h1,5-9,11,14-16H,4,10,12-13H2,2H3,(H2,22,23,24,26,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	585	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of AChE in rat cortex homogenate using acetylthiocholine iodide as substrate after 20 mins by Ellman's method				Eur J Med Chem 143: 33-47 (2018) Article DOI: 10.1016/j.ejmech.2017.08.025 BindingDB Entry DOI: 10.7270/Q2C53PC3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50284424 (CHEMBL4173774) Show SMILES CCNC(=S)Nc1cc(ncn1)-n1cnc(CCN(CC#C)CC#N)c1 Show InChI InChI=1S/C17H20N8S/c1-3-7-24(9-6-18)8-5-14-11-25(13-22-14)16-10-15(20-12-21-16)23-17(26)19-4-2/h1,10-13H,4-5,7-9H2,2H3,(H2,19,20,21,23,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	597	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of AChE in rat cortex homogenate using acetylthiocholine iodide as substrate after 20 mins by Ellman's method				Eur J Med Chem 143: 33-47 (2018) Article DOI: 10.1016/j.ejmech.2017.08.025 BindingDB Entry DOI: 10.7270/Q2C53PC3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50284329 (CHEMBL4166352) Show SMILES CCCCN(CC#C)Cc1cn(cn1)-c1cc(NC(=S)NCC)ncn1 Show InChI InChI=1S/C18H25N7S/c1-4-7-9-24(8-5-2)11-15-12-25(14-22-15)17-10-16(20-13-21-17)23-18(26)19-6-3/h2,10,12-14H,4,6-9,11H2,1,3H3,(H2,19,20,21,23,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	675	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of AChE in rat cortex homogenate using acetylthiocholine iodide as substrate after 20 mins by Ellman's method				Eur J Med Chem 143: 33-47 (2018) Article DOI: 10.1016/j.ejmech.2017.08.025 BindingDB Entry DOI: 10.7270/Q2C53PC3
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50082665 (4-(dimethylamino)-N-(7-(hydroxyamino)-7-oxoheptyl)...) Show SMILES CN(C)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO Show InChI InChI=1S/C16H25N3O3/c1-19(2)14-10-8-13(9-11-14)16(21)17-12-6-4-3-5-7-15(20)18-22/h8-11,22H,3-7,12H2,1-2H3,(H,17,21)(H,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	680	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human LTA4H Epoxide Hydrolase expressed in Escherichia coli BL21 (DE3) pLysS preincubated for 10 mins followed by addition ...				J Med Chem 60: 1817-1828 (2017) Article DOI: 10.1021/acs.jmedchem.6b01507 BindingDB Entry DOI: 10.7270/Q2VM4FJN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50284332 (CHEMBL4167443) Show SMILES CCNC(=S)Nc1cc(ncn1)-n1cnc(CN(CC#C)CC#N)c1 Show InChI InChI=1S/C16H18N8S/c1-3-6-23(7-5-17)9-13-10-24(12-21-13)15-8-14(19-11-20-15)22-16(25)18-4-2/h1,8,10-12H,4,6-7,9H2,2H3,(H2,18,19,20,22,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	707	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of AChE in rat cortex homogenate using acetylthiocholine iodide as substrate after 20 mins by Ellman's method				Eur J Med Chem 143: 33-47 (2018) Article DOI: 10.1016/j.ejmech.2017.08.025 BindingDB Entry DOI: 10.7270/Q2C53PC3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50284431 (CHEMBL4159540) Show SMILES CCNC(=S)Nc1cc(ncn1)-n1cnc(CN(CC#C)CC#C)c1 Show InChI InChI=1S/C17H19N7S/c1-4-7-23(8-5-2)10-14-11-24(13-21-14)16-9-15(19-12-20-16)22-17(25)18-6-3/h1-2,9,11-13H,6-8,10H2,3H3,(H2,18,19,20,22,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	718	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of AChE in rat cortex homogenate using acetylthiocholine iodide as substrate after 20 mins by Ellman's method				Eur J Med Chem 143: 33-47 (2018) Article DOI: 10.1016/j.ejmech.2017.08.025 BindingDB Entry DOI: 10.7270/Q2C53PC3
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Mus musculus)	BDBM50082665 (4-(dimethylamino)-N-(7-(hydroxyamino)-7-oxoheptyl)...) Show SMILES CN(C)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO Show InChI InChI=1S/C16H25N3O3/c1-19(2)14-10-8-13(9-11-14)16(21)17-12-6-4-3-5-7-15(20)18-22/h8-11,22H,3-7,12H2,1-2H3,(H,17,21)(H,18,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	790	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of LTA4H in C57BL/6 mouse assessed as reduction in LTB4 production pre-incubated for 30 mins before 5-(methylamino)-2-({(2R,3R,6S,8S,9R,11...				J Med Chem 60: 1817-1828 (2017) Article DOI: 10.1021/acs.jmedchem.6b01507 BindingDB Entry DOI: 10.7270/Q2VM4FJN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50284337 (CHEMBL4169378) Show SMILES CCNC(=S)Nc1cc(ncn1)-n1cnc(CCN(CC)CC#C)c1 Show InChI InChI=1S/C17H23N7S/c1-4-8-23(6-3)9-7-14-11-24(13-21-14)16-10-15(19-12-20-16)22-17(25)18-5-2/h1,10-13H,5-9H2,2-3H3,(H2,18,19,20,22,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.34E+3	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of AChE in rat cortex homogenate using acetylthiocholine iodide as substrate after 20 mins by Ellman's method				Eur J Med Chem 143: 33-47 (2018) Article DOI: 10.1016/j.ejmech.2017.08.025 BindingDB Entry DOI: 10.7270/Q2C53PC3
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50284335 (CHEMBL4162742) Show SMILES CCNC(=S)Nc1cc(ncn1)-n1cnc(CN(C)CC#C)c1 Show InChI InChI=1S/C15H19N7S/c1-4-6-21(3)8-12-9-22(11-19-12)14-7-13(17-10-18-14)20-15(23)16-5-2/h1,7,9-11H,5-6,8H2,2-3H3,(H2,16,17,18,20,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.43E+3	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human MAOB using benzylamine as substrate preincubated for 15 mins followed by substrate addition measured after 15 mins by...				Eur J Med Chem 143: 33-47 (2018) Article DOI: 10.1016/j.ejmech.2017.08.025 BindingDB Entry DOI: 10.7270/Q2C53PC3
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.67E+3	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human LTA4H aminopeptidase activity expressed in Escherichia coli BL21 (DE3) pLysS assessed as formation of p-NA from Ala-p...				J Med Chem 60: 1817-1828 (2017) Article DOI: 10.1021/acs.jmedchem.6b01507 BindingDB Entry DOI: 10.7270/Q2VM4FJN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.67E+3	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibitory activity towards Alpha-mannosidase from Jack bean				J Med Chem 60: 1817-1828 (2017) Article DOI: 10.1021/acs.jmedchem.6b01507 BindingDB Entry DOI: 10.7270/Q2VM4FJN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50284331 (CHEMBL4164807) Show SMILES CCNC(=S)Nc1cc(ncn1)-n1cnc(CCCN(C)CC#C)c1 Show InChI InChI=1S/C17H23N7S/c1-4-8-23(3)9-6-7-14-11-24(13-21-14)16-10-15(19-12-20-16)22-17(25)18-5-2/h1,10-13H,5-9H2,2-3H3,(H2,18,19,20,22,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.23E+3	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human MAOB using benzylamine as substrate preincubated for 15 mins followed by substrate addition measured after 15 mins by...				Eur J Med Chem 143: 33-47 (2018) Article DOI: 10.1016/j.ejmech.2017.08.025 BindingDB Entry DOI: 10.7270/Q2C53PC3
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50284433 (CHEMBL4174105) Show SMILES CCNC(=S)Nc1cc(ncn1)-n1cnc(CNCC#C)c1 Show InChI InChI=1S/C14H17N7S/c1-3-5-15-7-11-8-21(10-19-11)13-6-12(17-9-18-13)20-14(22)16-4-2/h1,6,8-10,15H,4-5,7H2,2H3,(H2,16,17,18,20,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.33E+3	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human MAOA using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured after 15 mins by ...				Eur J Med Chem 143: 33-47 (2018) Article DOI: 10.1016/j.ejmech.2017.08.025 BindingDB Entry DOI: 10.7270/Q2C53PC3
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50328678 (6-(1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-hexa...) Show SMILES ONC(=O)CCCCCN1C(=O)c2cccc3cccc(C1=O)c23 Show InChI InChI=1S/C18H18N2O4/c21-15(19-24)10-2-1-3-11-20-17(22)13-8-4-6-12-7-5-9-14(16(12)13)18(20)23/h4-9,24H,1-3,10-11H2,(H,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human LTA4H aminopeptidase activity expressed in Escherichia coli BL21 (DE3) pLysS assessed as formation of p-NA from Ala-p...				J Med Chem 60: 1817-1828 (2017) Article DOI: 10.1021/acs.jmedchem.6b01507 BindingDB Entry DOI: 10.7270/Q2VM4FJN
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50284433 (CHEMBL4174105) Show SMILES CCNC(=S)Nc1cc(ncn1)-n1cnc(CNCC#C)c1 Show InChI InChI=1S/C14H17N7S/c1-3-5-15-7-11-8-21(10-19-11)13-6-12(17-9-18-13)20-14(22)16-4-2/h1,6,8-10,15H,4-5,7H2,2H3,(H2,16,17,18,20,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.24E+3	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human MAOB using benzylamine as substrate preincubated for 15 mins followed by substrate addition measured after 15 mins by...				Eur J Med Chem 143: 33-47 (2018) Article DOI: 10.1016/j.ejmech.2017.08.025 BindingDB Entry DOI: 10.7270/Q2C53PC3
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Mus musculus)	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	6.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of LTA4H in C57BL/6 mouse assessed as reduction in LTB4 production pre-incubated for 30 mins before 5-(methylamino)-2-({(2R,3R,6S,8S,9R,11...				J Med Chem 60: 1817-1828 (2017) Article DOI: 10.1021/acs.jmedchem.6b01507 BindingDB Entry DOI: 10.7270/Q2VM4FJN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50284336 (CHEMBL4174653) Show SMILES CCNC(=S)Nc1cc(ncn1)-n1cnc(CCN(C)CC#C)c1 Show InChI InChI=1S/C16H21N7S/c1-4-7-22(3)8-6-13-10-23(12-20-13)15-9-14(18-11-19-15)21-16(24)17-5-2/h1,9-12H,5-8H2,2-3H3,(H2,17,18,19,21,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human MAOA using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured after 15 mins by ...				Eur J Med Chem 143: 33-47 (2018) Article DOI: 10.1016/j.ejmech.2017.08.025 BindingDB Entry DOI: 10.7270/Q2C53PC3
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50105330 (CHEMBL1851943) Show SMILES CCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1CCN(CC)CC Show InChI InChI=1S/C20H30N4O2/c1-4-7-8-19-21-17-15-16(10-12-20(25)22-26)9-11-18(17)24(19)14-13-23(5-2)6-3/h9-12,15,26H,4-8,13-14H2,1-3H3,(H,22,25)/b12-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibitory activity towards Alpha-mannosidase from Jack bean				J Med Chem 60: 1817-1828 (2017) Article DOI: 10.1021/acs.jmedchem.6b01507 BindingDB Entry DOI: 10.7270/Q2VM4FJN
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM24622 (3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...) Show SMILES CN(C)Cc1c(oc2ccccc12)C(=O)NCCOc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C21H23N3O5/c1-24(2)13-17-16-5-3-4-6-18(16)29-19(17)21(26)22-11-12-28-15-9-7-14(8-10-15)20(25)23-27/h3-10,27H,11-13H2,1-2H3,(H,22,26)(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human LTA4H aminopeptidase activity expressed in Escherichia coli BL21 (DE3) pLysS assessed as formation of p-NA from Ala-p...				J Med Chem 60: 1817-1828 (2017) Article DOI: 10.1021/acs.jmedchem.6b01507 BindingDB Entry DOI: 10.7270/Q2VM4FJN
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM207629 (US9265734, R01 | US9796664, Compound R01) Show SMILES Cc1ccc(cc1)C(=O)NCCCCCC(=O)Nc1ccccc1N Show InChI InChI=1S/C20H25N3O2/c1-15-10-12-16(13-11-15)20(25)22-14-6-2-3-9-19(24)23-18-8-5-4-7-17(18)21/h4-5,7-8,10-13H,2-3,6,9,14,21H2,1H3,(H,22,25)(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human LTA4H Epoxide Hydrolase expressed in Escherichia coli BL21 (DE3) pLysS preincubated for 10 mins followed by addition ...				J Med Chem 60: 1817-1828 (2017) Article DOI: 10.1021/acs.jmedchem.6b01507 BindingDB Entry DOI: 10.7270/Q2VM4FJN
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM24624 (CHEMBL272980 | MGCD-0103 | MGCD0103 | N-(2-aminoph...) Show SMILES Nc1ccccc1NC(=O)c1ccc(CNc2nccc(n2)-c2cccnc2)cc1 Show InChI InChI=1S/C23H20N6O/c24-19-5-1-2-6-21(19)28-22(30)17-9-7-16(8-10-17)14-27-23-26-13-11-20(29-23)18-4-3-12-25-15-18/h1-13,15H,14,24H2,(H,28,30)(H,26,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human LTA4H Epoxide Hydrolase expressed in Escherichia coli BL21 (DE3) pLysS preincubated for 10 mins followed by addition ...				J Med Chem 60: 1817-1828 (2017) Article DOI: 10.1021/acs.jmedchem.6b01507 BindingDB Entry DOI: 10.7270/Q2VM4FJN
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM19410 (CHEMBL27759 | MS-275 | US11377423, MS-275 | US1167...) Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1 Show InChI InChI=1S/C21H20N4O3/c22-18-5-1-2-6-19(18)25-20(26)17-9-7-15(8-10-17)13-24-21(27)28-14-16-4-3-11-23-12-16/h1-12H,13-14,22H2,(H,24,27)(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human LTA4H aminopeptidase activity expressed in Escherichia coli BL21 (DE3) pLysS assessed as formation of p-NA from Ala-p...				J Med Chem 60: 1817-1828 (2017) Article DOI: 10.1021/acs.jmedchem.6b01507 BindingDB Entry DOI: 10.7270/Q2VM4FJN
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM22449 (CHEMBL356769 | N-(4-{(2R,4R,6S)-4-{[(4,5-diphenyl-...) Show SMILES OCc1ccc(cc1)[C@@H]1C[C@H](CSc2nc(c(o2)-c2ccccc2)-c2ccccc2)O[C@@H](O1)c1ccc(NC(=O)CCCCCCC(=O)NO)cc1 |r| Show InChI InChI=1S/C41H43N3O7S/c45-26-28-17-19-29(20-18-28)35-25-34(27-52-41-43-38(30-11-5-3-6-12-30)39(51-41)31-13-7-4-8-14-31)49-40(50-35)32-21-23-33(24-22-32)42-36(46)15-9-1-2-10-16-37(47)44-48/h3-8,11-14,17-24,34-35,40,45,48H,1-2,9-10,15-16,25-27H2,(H,42,46)(H,44,47)/t34-,35+,40+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibitory activity towards Alpha-mannosidase from Almond				J Med Chem 60: 1817-1828 (2017) Article DOI: 10.1021/acs.jmedchem.6b01507 BindingDB Entry DOI: 10.7270/Q2VM4FJN
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM25150 ((2E)-N-hydroxy-3-[3-(phenylsulfamoyl)phenyl]prop-2...) Show SMILES ONC(=O)\C=C\c1cccc(c1)S(=O)(=O)Nc1ccccc1 Show InChI InChI=1S/C15H14N2O4S/c18-15(16-19)10-9-12-5-4-8-14(11-12)22(20,21)17-13-6-2-1-3-7-13/h1-11,17,19H,(H,16,18)/b10-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human LTA4H aminopeptidase activity expressed in Escherichia coli BL21 (DE3) pLysS assessed as formation of p-NA from Ala-p...				J Med Chem 60: 1817-1828 (2017) Article DOI: 10.1021/acs.jmedchem.6b01507 BindingDB Entry DOI: 10.7270/Q2VM4FJN
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM29589 (Faridak | LBH-589 | LBH-589B | Panobinostat | US10...) Show SMILES Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human LTA4H aminopeptidase activity expressed in Escherichia coli BL21 (DE3) pLysS assessed as formation of p-NA from Ala-p...				J Med Chem 60: 1817-1828 (2017) Article DOI: 10.1021/acs.jmedchem.6b01507 BindingDB Entry DOI: 10.7270/Q2VM4FJN
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50005711 (CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...) Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibitory activity towards Alpha-mannosidase from Almond				J Med Chem 60: 1817-1828 (2017) Article DOI: 10.1021/acs.jmedchem.6b01507 BindingDB Entry DOI: 10.7270/Q2VM4FJN
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50105327 (JNJ-26481585 | Quisinostat) Show SMILES Cn1cc(CNCC2CCN(CC2)c2ncc(cn2)C(=O)NO)c2ccccc12 Show InChI InChI=1S/C21H26N6O2/c1-26-14-17(18-4-2-3-5-19(18)26)11-22-10-15-6-8-27(9-7-15)21-23-12-16(13-24-21)20(28)25-29/h2-5,12-15,22,29H,6-11H2,1H3,(H,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human LTA4H aminopeptidase activity expressed in Escherichia coli BL21 (DE3) pLysS assessed as formation of p-NA from Ala-p...				J Med Chem 60: 1817-1828 (2017) Article DOI: 10.1021/acs.jmedchem.6b01507 BindingDB Entry DOI: 10.7270/Q2VM4FJN
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50439674 (RICOLINOSTAT | US10858323, Compound 2 | US11207431...) Show SMILES ONC(=O)CCCCCCNC(=O)c1cnc(nc1)N(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C24H27N5O3/c30-22(28-32)15-9-1-2-10-16-25-23(31)19-17-26-24(27-18-19)29(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-8,11-14,17-18,32H,1-2,9-10,15-16H2,(H,25,31)(H,28,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human LTA4H Epoxide Hydrolase expressed in Escherichia coli BL21 (DE3) pLysS preincubated for 10 mins followed by addition ...				J Med Chem 60: 1817-1828 (2017) Article DOI: 10.1021/acs.jmedchem.6b01507 BindingDB Entry DOI: 10.7270/Q2VM4FJN
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50236887 (CHEMBL4082369) Show SMILES CN(C)Cc1cccc(c1)S(=O)(=O)n1ccc(\C=C\C(=O)NO)c1 Show InChI InChI=1S/C16H19N3O4S/c1-18(2)11-14-4-3-5-15(10-14)24(22,23)19-9-8-13(12-19)6-7-16(20)17-21/h3-10,12,21H,11H2,1-2H3,(H,17,20)/b7-6+	PDB MMDB 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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human LTA4H Epoxide Hydrolase expressed in Escherichia coli BL21 (DE3) pLysS preincubated for 10 mins followed by addition ...				J Med Chem 60: 1817-1828 (2017) Article DOI: 10.1021/acs.jmedchem.6b01507 BindingDB Entry DOI: 10.7270/Q2VM4FJN
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50307768 (7-(4-(3-Ethynylphenylamino)-7-methoxyquinazolin-6-...) Show SMILES COc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCCCCCC(=O)NO Show InChI InChI=1S/C24H26N4O4/c1-3-17-9-8-10-18(13-17)27-24-19-14-22(21(31-2)15-20(19)25-16-26-24)32-12-7-5-4-6-11-23(29)28-30/h1,8-10,13-16,30H,4-7,11-12H2,2H3,(H,28,29)(H,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human LTA4H Epoxide Hydrolase expressed in Escherichia coli BL21 (DE3) pLysS preincubated for 10 mins followed by addition ...				J Med Chem 60: 1817-1828 (2017) Article DOI: 10.1021/acs.jmedchem.6b01507 BindingDB Entry DOI: 10.7270/Q2VM4FJN
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50105329 (CHEMBL1213492) Show SMILES CCN(CC)Cc1ccc2cc(COC(=O)Nc3ccc(cc3)C(=O)NO)ccc2c1 Show InChI InChI=1S/C24H27N3O4/c1-3-27(4-2)15-17-5-7-21-14-18(6-8-20(21)13-17)16-31-24(29)25-22-11-9-19(10-12-22)23(28)26-30/h5-14,30H,3-4,15-16H2,1-2H3,(H,25,29)(H,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human LTA4H Epoxide Hydrolase expressed in Escherichia coli BL21 (DE3) pLysS preincubated for 10 mins followed by addition ...				J Med Chem 60: 1817-1828 (2017) Article DOI: 10.1021/acs.jmedchem.6b01507 BindingDB Entry DOI: 10.7270/Q2VM4FJN
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50009834 (2-Propylvaleric acid sodium salt | CHEMBL433 | Dep...) Show SMILES CCCC(CCC)C([O-])=O Show InChI InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human LTA4H Epoxide Hydrolase expressed in Escherichia coli BL21 (DE3) pLysS preincubated for 10 mins followed by addition ...				J Med Chem 60: 1817-1828 (2017) Article DOI: 10.1021/acs.jmedchem.6b01507 BindingDB Entry DOI: 10.7270/Q2VM4FJN
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM19410 (CHEMBL27759 | MS-275 | US11377423, MS-275 | US1167...) Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1 Show InChI InChI=1S/C21H20N4O3/c22-18-5-1-2-6-19(18)25-20(26)17-9-7-15(8-10-17)13-24-21(27)28-14-16-4-3-11-23-12-16/h1-12H,13-14,22H2,(H,24,27)(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human LTA4H Epoxide Hydrolase expressed in Escherichia coli BL21 (DE3) pLysS preincubated for 10 mins followed by addition ...				J Med Chem 60: 1817-1828 (2017) Article DOI: 10.1021/acs.jmedchem.6b01507 BindingDB Entry DOI: 10.7270/Q2VM4FJN
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM25150 ((2E)-N-hydroxy-3-[3-(phenylsulfamoyl)phenyl]prop-2...) Show SMILES ONC(=O)\C=C\c1cccc(c1)S(=O)(=O)Nc1ccccc1 Show InChI InChI=1S/C15H14N2O4S/c18-15(16-19)10-9-12-5-4-8-14(11-12)22(20,21)17-13-6-2-1-3-7-13/h1-11,17,19H,(H,16,18)/b10-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibitory activity towards Alpha-mannosidase from Almond				J Med Chem 60: 1817-1828 (2017) Article DOI: 10.1021/acs.jmedchem.6b01507 BindingDB Entry DOI: 10.7270/Q2VM4FJN
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM24622 (3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...) Show SMILES CN(C)Cc1c(oc2ccccc12)C(=O)NCCOc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C21H23N3O5/c1-24(2)13-17-16-5-3-4-6-18(16)29-19(17)21(26)22-11-12-28-15-9-7-14(8-10-15)20(25)23-27/h3-10,27H,11-13H2,1-2H3,(H,22,26)(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human LTA4H Epoxide Hydrolase expressed in Escherichia coli BL21 (DE3) pLysS preincubated for 10 mins followed by addition ...				J Med Chem 60: 1817-1828 (2017) Article DOI: 10.1021/acs.jmedchem.6b01507 BindingDB Entry DOI: 10.7270/Q2VM4FJN
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM207629 (US9265734, R01 | US9796664, Compound R01) Show SMILES Cc1ccc(cc1)C(=O)NCCCCCC(=O)Nc1ccccc1N Show InChI InChI=1S/C20H25N3O2/c1-15-10-12-16(13-11-15)20(25)22-14-6-2-3-9-19(24)23-18-8-5-4-7-17(18)21/h4-5,7-8,10-13H,2-3,6,9,14,21H2,1H3,(H,22,25)(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human LTA4H aminopeptidase activity expressed in Escherichia coli BL21 (DE3) pLysS assessed as formation of p-NA from Ala-p...				J Med Chem 60: 1817-1828 (2017) Article DOI: 10.1021/acs.jmedchem.6b01507 BindingDB Entry DOI: 10.7270/Q2VM4FJN
					More data for this Ligand-Target Pair

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