Compile Data Set for Download or QSAR

Found 57 hits with Last Name = 'pachaiyappan' and Initial = 'b'   

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
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50065386 (CHEMBL3401327) Show SMILES Cl.S=C(NCCCNCCCCCNCCCNC(=S)NCCC(c1ccccc1)c1ccccc1)NCCC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C43H58N6S2.ClH/c50-42(48-34-26-40(36-18-6-1-7-19-36)37-20-8-2-9-21-37)46-32-16-30-44-28-14-5-15-29-45-31-17-33-47-43(51)49-35-27-41(38-22-10-3-11-23-38)39-24-12-4-13-25-39;/h1-4,6-13,18-25,40-41,44-45H,5,14-17,26-35H2,(H2,46,48,50)(H2,47,49,51);1H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
John Hopkins University Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant LSD1 by Lineweaver-Burk plot analysis				Bioorg Med Chem 23: 1601-12 (2015) Article DOI: 10.1016/j.bmc.2015.01.049 BindingDB Entry DOI: 10.7270/Q25Q4XSD
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM16034 (1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phen...) Show SMILES C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O)c1ccccc1 |r| Show InChI InChI=1S/C31H38N4O5S/c1-21(23-12-8-5-9-13-23)33-30(37)24-17-25(19-27(18-24)35(2)41(3,39)40)31(38)34-28(16-22-10-6-4-7-11-22)29(36)20-32-26-14-15-26/h4-13,17-19,21,26,28-29,32,36H,14-16,20H2,1-3H3,(H,33,37)(H,34,38)/t21-,28+,29-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of BACE1				Bioorg Med Chem Lett 19: 264-74 (2008) Article DOI: 10.1016/j.bmcl.2008.10.096 BindingDB Entry DOI: 10.7270/Q2ZP4606
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-secretase 1 (Homo sapiens (Human))	BDBM16034 (1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phen...) Show SMILES C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O)c1ccccc1 |r| Show InChI InChI=1S/C31H38N4O5S/c1-21(23-12-8-5-9-13-23)33-30(37)24-17-25(19-27(18-24)35(2)41(3,39)40)31(38)34-28(16-22-10-6-4-7-11-22)29(36)20-32-26-14-15-26/h4-13,17-19,21,26,28-29,32,36H,14-16,20H2,1-3H3,(H,33,37)(H,34,38)/t21-,28+,29-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) expressed in human 293T cells				Bioorg Med Chem Lett 19: 264-74 (2008) Article DOI: 10.1016/j.bmcl.2008.10.096 BindingDB Entry DOI: 10.7270/Q2ZP4606
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-secretase 1 (Homo sapiens (Human))	BDBM50254744 (CHEMBL474057 | N8-((2S,3R)-4-(cyclopropylamino)-3-...) Show SMILES C[C@@H](NC(=O)c1cc(cc2OCCCCc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccccc1 |r| Show InChI InChI=1S/C33H39N3O4/c1-22(24-12-6-3-7-13-24)35-33(39)28-19-25(20-31-27(28)14-8-9-17-40-31)32(38)36-29(18-23-10-4-2-5-11-23)30(37)21-34-26-15-16-26/h2-7,10-13,19-20,22,26,29-30,34,37H,8-9,14-18,21H2,1H3,(H,35,39)(H,36,38)/t22-,29+,30-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) expressed in human 293T cells				Bioorg Med Chem Lett 19: 264-74 (2008) Article DOI: 10.1016/j.bmcl.2008.10.096 BindingDB Entry DOI: 10.7270/Q2ZP4606
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50254714 (CHEMBL473854 | N7-((2S,3R)-4-(cyclopropylamino)-3-...) Show SMILES C[C@@H](NC(=O)c1cc(cc2OCCCc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccccc1 |r| Show InChI InChI=1S/C32H37N3O4/c1-21(23-11-6-3-7-12-23)34-32(38)27-18-24(19-30-26(27)13-8-16-39-30)31(37)35-28(17-22-9-4-2-5-10-22)29(36)20-33-25-14-15-25/h2-7,9-12,18-19,21,25,28-29,33,36H,8,13-17,20H2,1H3,(H,34,38)(H,35,37)/t21-,28+,29-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) expressed in human 293T cells				Bioorg Med Chem Lett 19: 264-74 (2008) Article DOI: 10.1016/j.bmcl.2008.10.096 BindingDB Entry DOI: 10.7270/Q2ZP4606
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50254785 (CHEMBL464918 | N6-((2S,3R)-4-(cyclopropylamino)-3-...) Show SMILES C[C@@H](NC(=O)c1cc2OCCCCc2c(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccccc1 |r| Show InChI InChI=1S/C33H39N3O4/c1-22(24-12-6-3-7-13-24)35-32(38)25-19-28(27-14-8-9-17-40-31(27)20-25)33(39)36-29(18-23-10-4-2-5-11-23)30(37)21-34-26-15-16-26/h2-7,10-13,19-20,22,26,29-30,34,37H,8-9,14-18,21H2,1H3,(H,35,38)(H,36,39)/t22-,29+,30-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	89	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) expressed in human 293T cells				Bioorg Med Chem Lett 19: 264-74 (2008) Article DOI: 10.1016/j.bmcl.2008.10.096 BindingDB Entry DOI: 10.7270/Q2ZP4606
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50254784 (CHEMBL517179 | N5-((2S,3R)-4-(cyclopropylamino)-3-...) Show SMILES C[C@@H](NC(=O)c1cc2OCCCc2c(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccccc1 |r| Show InChI InChI=1S/C32H37N3O4/c1-21(23-11-6-3-7-12-23)34-31(37)24-18-27(26-13-8-16-39-30(26)19-24)32(38)35-28(17-22-9-4-2-5-10-22)29(36)20-33-25-14-15-25/h2-7,9-12,18-19,21,25,28-29,33,36H,8,13-17,20H2,1H3,(H,34,37)(H,35,38)/t21-,28+,29-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	112	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) expressed in human 293T cells				Bioorg Med Chem Lett 19: 264-74 (2008) Article DOI: 10.1016/j.bmcl.2008.10.096 BindingDB Entry DOI: 10.7270/Q2ZP4606
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM16034 (1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phen...) Show SMILES C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O)c1ccccc1 |r| Show InChI InChI=1S/C31H38N4O5S/c1-21(23-12-8-5-9-13-23)33-30(37)24-17-25(19-27(18-24)35(2)41(3,39)40)31(38)34-28(16-22-10-6-4-7-11-22)29(36)20-32-26-14-15-26/h4-13,17-19,21,26,28-29,32,36H,14-16,20H2,1-3H3,(H,33,37)(H,34,38)/t21-,28+,29-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	132	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of BACE2 expressed in human 293T cells				Bioorg Med Chem Lett 19: 264-74 (2008) Article DOI: 10.1016/j.bmcl.2008.10.096 BindingDB Entry DOI: 10.7270/Q2ZP4606
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50254711 (CHEMBL443087 | N-((1S,2R)-1-Benzyl-3-cyclopropylam...) Show SMILES C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N1CCCS1(=O)=O)c1ccccc1 |r| Show InChI InChI=1S/C32H38N4O5S/c1-22(24-11-6-3-7-12-24)34-31(38)25-18-26(20-28(19-25)36-15-8-16-42(36,40)41)32(39)35-29(17-23-9-4-2-5-10-23)30(37)21-33-27-13-14-27/h2-7,9-12,18-20,22,27,29-30,33,37H,8,13-17,21H2,1H3,(H,34,38)(H,35,39)/t22-,29+,30-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	141	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of BACE2 expressed in human 293T cells				Bioorg Med Chem Lett 19: 264-74 (2008) Article DOI: 10.1016/j.bmcl.2008.10.096 BindingDB Entry DOI: 10.7270/Q2ZP4606
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50254712 (CHEMBL499468 | N-((1S,2R)-1-Benzyl-3-cyclopropylam...) Show SMILES C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N1CCCCS1(=O)=O)c1ccccc1 |r| Show InChI InChI=1S/C33H40N4O5S/c1-23(25-12-6-3-7-13-25)35-32(39)26-19-27(21-29(20-26)37-16-8-9-17-43(37,41)42)33(40)36-30(18-24-10-4-2-5-11-24)31(38)22-34-28-14-15-28/h2-7,10-13,19-21,23,28,30-31,34,38H,8-9,14-18,22H2,1H3,(H,35,39)(H,36,40)/t23-,30+,31-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) expressed in human 293T cells				Bioorg Med Chem Lett 19: 264-74 (2008) Article DOI: 10.1016/j.bmcl.2008.10.096 BindingDB Entry DOI: 10.7270/Q2ZP4606
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50254712 (CHEMBL499468 | N-((1S,2R)-1-Benzyl-3-cyclopropylam...) Show SMILES C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N1CCCCS1(=O)=O)c1ccccc1 |r| Show InChI InChI=1S/C33H40N4O5S/c1-23(25-12-6-3-7-13-25)35-32(39)26-19-27(21-29(20-26)37-16-8-9-17-43(37,41)42)33(40)36-30(18-24-10-4-2-5-11-24)31(38)22-34-28-14-15-28/h2-7,10-13,19-21,23,28,30-31,34,38H,8-9,14-18,22H2,1H3,(H,35,39)(H,36,40)/t23-,30+,31-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	251	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of BACE2 expressed in human 293T cells				Bioorg Med Chem Lett 19: 264-74 (2008) Article DOI: 10.1016/j.bmcl.2008.10.096 BindingDB Entry DOI: 10.7270/Q2ZP4606
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50254746 (CHEMBL446879 | N8-((2S,3R)-4-(cyclopropylamino)-3-...) Show SMILES C[C@@H](NC(=O)c1cc(cc2OCCCCc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C33H38FN3O4/c1-21(23-10-12-25(34)13-11-23)36-33(40)28-18-24(19-31-27(28)9-5-6-16-41-31)32(39)37-29(17-22-7-3-2-4-8-22)30(38)20-35-26-14-15-26/h2-4,7-8,10-13,18-19,21,26,29-30,35,38H,5-6,9,14-17,20H2,1H3,(H,36,40)(H,37,39)/t21-,29+,30-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	262	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) expressed in human 293T cells				Bioorg Med Chem Lett 19: 264-74 (2008) Article DOI: 10.1016/j.bmcl.2008.10.096 BindingDB Entry DOI: 10.7270/Q2ZP4606
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50254713 (CHEMBL514310 | N6-((2S,3R)-4-(cyclopropylamino)-3-...) Show SMILES C[C@@H](NC(=O)c1cc(cc2oc(C)cc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccccc1 |r| Show InChI InChI=1S/C32H35N3O4/c1-20-15-26-27(32(38)34-21(2)23-11-7-4-8-12-23)17-24(18-30(26)39-20)31(37)35-28(16-22-9-5-3-6-10-22)29(36)19-33-25-13-14-25/h3-12,15,17-18,21,25,28-29,33,36H,13-14,16,19H2,1-2H3,(H,34,38)(H,35,37)/t21-,28+,29-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	524	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) expressed in human 293T cells				Bioorg Med Chem Lett 19: 264-74 (2008) Article DOI: 10.1016/j.bmcl.2008.10.096 BindingDB Entry DOI: 10.7270/Q2ZP4606
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50254745 (CHEMBL463864 | N7-((2S,3R)-4-(cyclopropylamino)-3-...) Show SMILES C[C@@H](NC(=O)c1cc(cc2OCCCc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C32H36FN3O4/c1-20(22-9-11-24(33)12-10-22)35-32(39)27-17-23(18-30-26(27)8-5-15-40-30)31(38)36-28(16-21-6-3-2-4-7-21)29(37)19-34-25-13-14-25/h2-4,6-7,9-12,17-18,20,25,28-29,34,37H,5,8,13-16,19H2,1H3,(H,35,39)(H,36,38)/t20-,28+,29-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	740	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) expressed in human 293T cells				Bioorg Med Chem Lett 19: 264-74 (2008) Article DOI: 10.1016/j.bmcl.2008.10.096 BindingDB Entry DOI: 10.7270/Q2ZP4606
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50254708 (4'-Chloro-biphenyl-3,5-dicarboxylic acid 3-[((1S,2...) Show SMILES C[C@@H](NC(=O)c1cc(cc(c1)-c1ccc(Cl)cc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccccc1 |r| Show InChI InChI=1S/C35H36ClN3O3/c1-23(25-10-6-3-7-11-25)38-34(41)28-19-27(26-12-14-30(36)15-13-26)20-29(21-28)35(42)39-32(18-24-8-4-2-5-9-24)33(40)22-37-31-16-17-31/h2-15,19-21,23,31-33,37,40H,16-18,22H2,1H3,(H,38,41)(H,39,42)/t23-,32+,33-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	811	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) expressed in human 293T cells				Bioorg Med Chem Lett 19: 264-74 (2008) Article DOI: 10.1016/j.bmcl.2008.10.096 BindingDB Entry DOI: 10.7270/Q2ZP4606
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50254667 (CHEMBL518294 | N1-((2S,3R)-4-(cyclopropylamino)-3-...) Show SMILES C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)C#C)c1ccccc1 |r| Show InChI InChI=1S/C31H33N3O3/c1-3-22-16-25(30(36)33-21(2)24-12-8-5-9-13-24)19-26(17-22)31(37)34-28(18-23-10-6-4-7-11-23)29(35)20-32-27-14-15-27/h1,4-13,16-17,19,21,27-29,32,35H,14-15,18,20H2,2H3,(H,33,36)(H,34,37)/t21-,28+,29-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	889	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) expressed in human 293T cells				Bioorg Med Chem Lett 19: 264-74 (2008) Article DOI: 10.1016/j.bmcl.2008.10.096 BindingDB Entry DOI: 10.7270/Q2ZP4606
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50254747 (CHEMBL463865 | N4-((2S,3R)-4-(cyclopropylamino)-3-...) Show SMILES C[C@@H](NC(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNC2CC2)c2cc(C)oc2c1)c1ccccc1 |r| Show InChI InChI=1S/C32H35N3O4/c1-20-15-26-27(17-24(18-30(26)39-20)31(37)34-21(2)23-11-7-4-8-12-23)32(38)35-28(16-22-9-5-3-6-10-22)29(36)19-33-25-13-14-25/h3-12,15,17-18,21,25,28-29,33,36H,13-14,16,19H2,1-2H3,(H,34,37)(H,35,38)/t21-,28+,29-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	998	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) expressed in human 293T cells				Bioorg Med Chem Lett 19: 264-74 (2008) Article DOI: 10.1016/j.bmcl.2008.10.096 BindingDB Entry DOI: 10.7270/Q2ZP4606
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50254709 (CHEMBL450801 | N1-((2S,3R)-4-(cyclopropylamino)-3-...) Show SMILES C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)C#Cc1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C37H37N3O3/c1-26(30-15-9-4-10-16-30)39-36(42)31-21-29(18-17-27-11-5-2-6-12-27)22-32(24-31)37(43)40-34(23-28-13-7-3-8-14-28)35(41)25-38-33-19-20-33/h2-16,21-22,24,26,33-35,38,41H,19-20,23,25H2,1H3,(H,39,42)(H,40,43)/t26-,34+,35-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) expressed in human 293T cells				Bioorg Med Chem Lett 19: 264-74 (2008) Article DOI: 10.1016/j.bmcl.2008.10.096 BindingDB Entry DOI: 10.7270/Q2ZP4606
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50254710 (5-(1-benzyl-1H-1,2,3-triazol-4-yl)-N1-((2S,3R)-4-(...) Show SMILES C[C@@H](NC(=O)c1cc(cc(c1)-c1cn(Cc2ccccc2)nn1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccccc1 |r| Show InChI InChI=1S/C38H40N6O3/c1-26(29-15-9-4-10-16-29)40-37(46)31-20-30(35-25-44(43-42-35)24-28-13-7-3-8-14-28)21-32(22-31)38(47)41-34(19-27-11-5-2-6-12-27)36(45)23-39-33-17-18-33/h2-16,20-22,25-26,33-34,36,39,45H,17-19,23-24H2,1H3,(H,40,46)(H,41,47)/t26-,34+,36-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) expressed in human 293T cells				Bioorg Med Chem Lett 19: 264-74 (2008) Article DOI: 10.1016/j.bmcl.2008.10.096 BindingDB Entry DOI: 10.7270/Q2ZP4606
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50254665 (CHEMBL482371 | N1-((2S,3R)-4-(cyclopropylamino)-3-...) Show SMILES C[C@@H](NC(=O)c1cc(O)cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccccc1 |r| Show InChI InChI=1S/C29H33N3O4/c1-19(21-10-6-3-7-11-21)31-28(35)22-15-23(17-25(33)16-22)29(36)32-26(14-20-8-4-2-5-9-20)27(34)18-30-24-12-13-24/h2-11,15-17,19,24,26-27,30,33-34H,12-14,18H2,1H3,(H,31,35)(H,32,36)/t19-,26+,27-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) expressed in human 293T cells				Bioorg Med Chem Lett 19: 264-74 (2008) Article DOI: 10.1016/j.bmcl.2008.10.096 BindingDB Entry DOI: 10.7270/Q2ZP4606
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50254711 (CHEMBL443087 | N-((1S,2R)-1-Benzyl-3-cyclopropylam...) Show SMILES C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N1CCCS1(=O)=O)c1ccccc1 |r| Show InChI InChI=1S/C32H38N4O5S/c1-22(24-11-6-3-7-12-24)34-31(38)25-18-26(20-28(19-25)36-15-8-16-42(36,40)41)32(39)35-29(17-23-9-4-2-5-10-23)30(37)21-33-27-13-14-27/h2-7,9-12,18-20,22,27,29-30,33,37H,8,13-17,21H2,1H3,(H,34,38)(H,35,39)/t22-,29+,30-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.77E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) expressed in human 293T cells				Bioorg Med Chem Lett 19: 264-74 (2008) Article DOI: 10.1016/j.bmcl.2008.10.096 BindingDB Entry DOI: 10.7270/Q2ZP4606
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50254746 (CHEMBL446879 | N8-((2S,3R)-4-(cyclopropylamino)-3-...) Show SMILES C[C@@H](NC(=O)c1cc(cc2OCCCCc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C33H38FN3O4/c1-21(23-10-12-25(34)13-11-23)36-33(40)28-18-24(19-31-27(28)9-5-6-16-41-31)32(39)37-29(17-22-7-3-2-4-8-22)30(38)20-35-26-14-15-26/h2-4,7-8,10-13,18-19,21,26,29-30,35,38H,5-6,9,14-17,20H2,1H3,(H,36,40)(H,37,39)/t21-,29+,30-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.95E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of BACE2 expressed in human 293T cells				Bioorg Med Chem Lett 19: 264-74 (2008) Article DOI: 10.1016/j.bmcl.2008.10.096 BindingDB Entry DOI: 10.7270/Q2ZP4606
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50254745 (CHEMBL463864 | N7-((2S,3R)-4-(cyclopropylamino)-3-...) Show SMILES C[C@@H](NC(=O)c1cc(cc2OCCCc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C32H36FN3O4/c1-20(22-9-11-24(33)12-10-22)35-32(39)27-17-23(18-30-26(27)8-5-15-40-30)31(38)36-28(16-21-6-3-2-4-7-21)29(37)19-34-25-13-14-25/h2-4,6-7,9-12,17-18,20,25,28-29,34,37H,5,8,13-16,19H2,1H3,(H,35,39)(H,36,38)/t20-,28+,29-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of BACE2 expressed in human 293T cells				Bioorg Med Chem Lett 19: 264-74 (2008) Article DOI: 10.1016/j.bmcl.2008.10.096 BindingDB Entry DOI: 10.7270/Q2ZP4606
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50254707 (CHEMBL473652 | N1-((2S,3R)-4-(cyclopropylamino)-3-...) Show SMILES C[C@@H](NC(=O)c1cc(cc(c1)-c1ccsc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccccc1 |r| Show InChI InChI=1S/C33H35N3O3S/c1-22(24-10-6-3-7-11-24)35-32(38)27-17-26(25-14-15-40-21-25)18-28(19-27)33(39)36-30(16-23-8-4-2-5-9-23)31(37)20-34-29-12-13-29/h2-11,14-15,17-19,21-22,29-31,34,37H,12-13,16,20H2,1H3,(H,35,38)(H,36,39)/t22-,30+,31-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.23E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) expressed in human 293T cells				Bioorg Med Chem Lett 19: 264-74 (2008) Article DOI: 10.1016/j.bmcl.2008.10.096 BindingDB Entry DOI: 10.7270/Q2ZP4606
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50254666 (CHEMBL479421 | N1-((2S,3R)-4-(cyclopropylamino)-3-...) Show SMILES COc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)C(=O)N[C@H](C)c1ccccc1 |r| Show InChI InChI=1S/C30H35N3O4/c1-20(22-11-7-4-8-12-22)32-29(35)23-16-24(18-26(17-23)37-2)30(36)33-27(15-21-9-5-3-6-10-21)28(34)19-31-25-13-14-25/h3-12,16-18,20,25,27-28,31,34H,13-15,19H2,1-2H3,(H,32,35)(H,33,36)/t20-,27+,28-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) expressed in human 293T cells				Bioorg Med Chem Lett 19: 264-74 (2008) Article DOI: 10.1016/j.bmcl.2008.10.096 BindingDB Entry DOI: 10.7270/Q2ZP4606
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50113851 ((+/-)-Tranylcypromine | 2-PCPA | 2-Phenyl-cyclopro...) Show SMILES NC1CC1c1ccccc1 Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
John Hopkins University Curated by ChEMBL					Assay Description Inhibition of MAO-A (unknown origin) by MAo-Glo kit analysis				Bioorg Med Chem 23: 1601-12 (2015) Article DOI: 10.1016/j.bmc.2015.01.049 BindingDB Entry DOI: 10.7270/Q25Q4XSD
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50065386 (CHEMBL3401327) Show SMILES Cl.S=C(NCCCNCCCCCNCCCNC(=S)NCCC(c1ccccc1)c1ccccc1)NCCC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C43H58N6S2.ClH/c50-42(48-34-26-40(36-18-6-1-7-19-36)37-20-8-2-9-21-37)46-32-16-30-44-28-14-5-15-29-45-31-17-33-47-43(51)49-35-27-41(38-22-10-3-11-23-38)39-24-12-4-13-25-39;/h1-4,6-13,18-25,40-41,44-45H,5,14-17,26-35H2,(H2,46,48,50)(H2,47,49,51);1H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
John Hopkins University Curated by ChEMBL					Assay Description Inhibition of human recombinant LSD1 after 30 mins to 4 hrs by fluorescence assay				Bioorg Med Chem 23: 1601-12 (2015) Article DOI: 10.1016/j.bmc.2015.01.049 BindingDB Entry DOI: 10.7270/Q25Q4XSD
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50113851 ((+/-)-Tranylcypromine | 2-PCPA | 2-Phenyl-cyclopro...) Show SMILES NC1CC1c1ccccc1 Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
John Hopkins University Curated by ChEMBL					Assay Description Inhibition of MAO-B (unknown origin) by MAo-Glo kit analysis				Bioorg Med Chem 23: 1601-12 (2015) Article DOI: 10.1016/j.bmc.2015.01.049 BindingDB Entry DOI: 10.7270/Q25Q4XSD
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50065385 (CHEMBL3401326) Show SMILES Cl.S=C(NCCCNCCCCCNCCCNC(=S)NCC(c1ccccc1)c1ccccc1)NCC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C41H54N6S2.ClH/c48-40(46-32-38(34-18-6-1-7-19-34)35-20-8-2-9-21-35)44-30-16-28-42-26-14-5-15-27-43-29-17-31-45-41(49)47-33-39(36-22-10-3-11-23-36)37-24-12-4-13-25-37;/h1-4,6-13,18-25,38-39,42-43H,5,14-17,26-33H2,(H2,44,46,48)(H2,45,47,49);1H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
John Hopkins University Curated by ChEMBL					Assay Description Inhibition of human recombinant LSD1 after 30 mins to 4 hrs by fluorescence assay				Bioorg Med Chem 23: 1601-12 (2015) Article DOI: 10.1016/j.bmc.2015.01.049 BindingDB Entry DOI: 10.7270/Q25Q4XSD
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50065384 (CHEMBL3401325) Show SMILES Cl.S=C(NCCCNCCCCCNCCCNC(=S)NC(c1ccccc1)c1ccccc1)NC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C39H50N6S2.ClH/c46-38(44-36(32-18-6-1-7-19-32)33-20-8-2-9-21-33)42-30-16-28-40-26-14-5-15-27-41-29-17-31-43-39(47)45-37(34-22-10-3-11-23-34)35-24-12-4-13-25-35;/h1-4,6-13,18-25,36-37,40-41H,5,14-17,26-31H2,(H2,42,44,46)(H2,43,45,47);1H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
John Hopkins University Curated by ChEMBL					Assay Description Inhibition of human recombinant LSD1 after 30 mins to 4 hrs by fluorescence assay				Bioorg Med Chem 23: 1601-12 (2015) Article DOI: 10.1016/j.bmc.2015.01.049 BindingDB Entry DOI: 10.7270/Q25Q4XSD
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50065382 (CHEMBL1085949) Show SMILES Cl.N=C(NCCCNCCCCCCCNCCCNC(=N)NC(=N)NCCC(c1ccccc1)c1ccccc1)NC(=N)NCCC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C47H68N12.ClH/c48-44(58-46(50)56-36-28-42(38-20-8-4-9-21-38)39-22-10-5-11-23-39)54-34-18-32-52-30-16-2-1-3-17-31-53-33-19-35-55-45(49)59-47(51)57-37-29-43(40-24-12-6-13-25-40)41-26-14-7-15-27-41;/h4-15,20-27,42-43,52-53H,1-3,16-19,28-37H2,(H5,48,50,54,56,58)(H5,49,51,55,57,59);1H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
John Hopkins University Curated by ChEMBL					Assay Description Inhibition of MAO-B (unknown origin) by MAo-Glo kit analysis				Bioorg Med Chem 23: 1601-12 (2015) Article DOI: 10.1016/j.bmc.2015.01.049 BindingDB Entry DOI: 10.7270/Q25Q4XSD
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50065382 (CHEMBL1085949) Show SMILES Cl.N=C(NCCCNCCCCCCCNCCCNC(=N)NC(=N)NCCC(c1ccccc1)c1ccccc1)NC(=N)NCCC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C47H68N12.ClH/c48-44(58-46(50)56-36-28-42(38-20-8-4-9-21-38)39-22-10-5-11-23-39)54-34-18-32-52-30-16-2-1-3-17-31-53-33-19-35-55-45(49)59-47(51)57-37-29-43(40-24-12-6-13-25-40)41-26-14-7-15-27-41;/h4-15,20-27,42-43,52-53H,1-3,16-19,28-37H2,(H5,48,50,54,56,58)(H5,49,51,55,57,59);1H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
John Hopkins University Curated by ChEMBL					Assay Description Inhibition of human recombinant LSD1 after 30 mins to 4 hrs by fluorescence assay				Bioorg Med Chem 23: 1601-12 (2015) Article DOI: 10.1016/j.bmc.2015.01.049 BindingDB Entry DOI: 10.7270/Q25Q4XSD
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50065383 (CHEMBL3144164) Show SMILES Cl.Cl.S=C(NCCCNCCCCNCCCNC(=S)NCC(c1ccccc1)c1ccccc1)NCC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C40H52N6S2.2ClH/c47-39(45-31-37(33-17-5-1-6-18-33)34-19-7-2-8-20-34)43-29-15-27-41-25-13-14-26-42-28-16-30-44-40(48)46-32-38(35-21-9-3-10-22-35)36-23-11-4-12-24-36;;/h1-12,17-24,37-38,41-42H,13-16,25-32H2,(H2,43,45,47)(H2,44,46,48);2*1H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
John Hopkins University Curated by ChEMBL					Assay Description Inhibition of human recombinant LSD1 after 30 mins to 4 hrs by fluorescence assay				Bioorg Med Chem 23: 1601-12 (2015) Article DOI: 10.1016/j.bmc.2015.01.049 BindingDB Entry DOI: 10.7270/Q25Q4XSD
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50398073 (CHEMBL2181950) Show SMILES ONC(=N)CC(=O)Nc1ccccc1 Show InChI InChI=1S/C9H11N3O2/c10-8(12-14)6-9(13)11-7-4-2-1-3-5-7/h1-5,14H,6H2,(H2,10,12)(H,11,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.56E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal histidine tagged LSD1 expressed in Escherichia coli BL21 (DE3) assessed as production of H2O2 using H3K4me...				J Med Chem 55: 7378-91 (2012) Article DOI: 10.1021/jm3002845 BindingDB Entry DOI: 10.7270/Q2FT8N52
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50398074 (CHEMBL2181959) Show SMILES ONC(=N)CC(=O)Nc1ccccc1O Show InChI InChI=1S/C9H11N3O3/c10-8(12-15)5-9(14)11-6-3-1-2-4-7(6)13/h1-4,13,15H,5H2,(H2,10,12)(H,11,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.68E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal histidine tagged LSD1 expressed in Escherichia coli BL21 (DE3) assessed as production of H2O2 using H3K4me...				J Med Chem 55: 7378-91 (2012) Article DOI: 10.1021/jm3002845 BindingDB Entry DOI: 10.7270/Q2FT8N52
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50065386 (CHEMBL3401327) Show SMILES Cl.S=C(NCCCNCCCCCNCCCNC(=S)NCCC(c1ccccc1)c1ccccc1)NCCC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C43H58N6S2.ClH/c50-42(48-34-26-40(36-18-6-1-7-19-36)37-20-8-2-9-21-37)46-32-16-30-44-28-14-5-15-29-45-31-17-33-47-43(51)49-35-27-41(38-22-10-3-11-23-38)39-24-12-4-13-25-39;/h1-4,6-13,18-25,40-41,44-45H,5,14-17,26-35H2,(H2,46,48,50)(H2,47,49,51);1H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
John Hopkins University Curated by ChEMBL					Assay Description Inhibition of MAO-B (unknown origin) by MAo-Glo kit analysis				Bioorg Med Chem 23: 1601-12 (2015) Article DOI: 10.1016/j.bmc.2015.01.049 BindingDB Entry DOI: 10.7270/Q25Q4XSD
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50065385 (CHEMBL3401326) Show SMILES Cl.S=C(NCCCNCCCCCNCCCNC(=S)NCC(c1ccccc1)c1ccccc1)NCC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C41H54N6S2.ClH/c48-40(46-32-38(34-18-6-1-7-19-34)35-20-8-2-9-21-35)44-30-16-28-42-26-14-5-15-27-43-29-17-31-45-41(49)47-33-39(36-22-10-3-11-23-36)37-24-12-4-13-25-37;/h1-4,6-13,18-25,38-39,42-43H,5,14-17,26-33H2,(H2,44,46,48)(H2,45,47,49);1H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
John Hopkins University Curated by ChEMBL					Assay Description Inhibition of MAO-B (unknown origin) by MAo-Glo kit analysis				Bioorg Med Chem 23: 1601-12 (2015) Article DOI: 10.1016/j.bmc.2015.01.049 BindingDB Entry DOI: 10.7270/Q25Q4XSD
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50065384 (CHEMBL3401325) Show SMILES Cl.S=C(NCCCNCCCCCNCCCNC(=S)NC(c1ccccc1)c1ccccc1)NC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C39H50N6S2.ClH/c46-38(44-36(32-18-6-1-7-19-32)33-20-8-2-9-21-33)42-30-16-28-40-26-14-5-15-27-41-29-17-31-43-39(47)45-37(34-22-10-3-11-23-34)35-24-12-4-13-25-35;/h1-4,6-13,18-25,36-37,40-41H,5,14-17,26-31H2,(H2,42,44,46)(H2,43,45,47);1H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
John Hopkins University Curated by ChEMBL					Assay Description Inhibition of MAO-B (unknown origin) by MAo-Glo kit analysis				Bioorg Med Chem 23: 1601-12 (2015) Article DOI: 10.1016/j.bmc.2015.01.049 BindingDB Entry DOI: 10.7270/Q25Q4XSD
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50065382 (CHEMBL1085949) Show SMILES Cl.N=C(NCCCNCCCCCCCNCCCNC(=N)NC(=N)NCCC(c1ccccc1)c1ccccc1)NC(=N)NCCC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C47H68N12.ClH/c48-44(58-46(50)56-36-28-42(38-20-8-4-9-21-38)39-22-10-5-11-23-39)54-34-18-32-52-30-16-2-1-3-17-31-53-33-19-35-55-45(49)59-47(51)57-37-29-43(40-24-12-6-13-25-40)41-26-14-7-15-27-41;/h4-15,20-27,42-43,52-53H,1-3,16-19,28-37H2,(H5,48,50,54,56,58)(H5,49,51,55,57,59);1H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
John Hopkins University Curated by ChEMBL					Assay Description Inhibition of MAO-A (unknown origin) by MAo-Glo kit analysis				Bioorg Med Chem 23: 1601-12 (2015) Article DOI: 10.1016/j.bmc.2015.01.049 BindingDB Entry DOI: 10.7270/Q25Q4XSD
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50065384 (CHEMBL3401325) Show SMILES Cl.S=C(NCCCNCCCCCNCCCNC(=S)NC(c1ccccc1)c1ccccc1)NC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C39H50N6S2.ClH/c46-38(44-36(32-18-6-1-7-19-32)33-20-8-2-9-21-33)42-30-16-28-40-26-14-5-15-27-41-29-17-31-43-39(47)45-37(34-22-10-3-11-23-34)35-24-12-4-13-25-35;/h1-4,6-13,18-25,36-37,40-41H,5,14-17,26-31H2,(H2,42,44,46)(H2,43,45,47);1H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
John Hopkins University Curated by ChEMBL					Assay Description Inhibition of MAO-A (unknown origin) by MAo-Glo kit analysis				Bioorg Med Chem 23: 1601-12 (2015) Article DOI: 10.1016/j.bmc.2015.01.049 BindingDB Entry DOI: 10.7270/Q25Q4XSD
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50065385 (CHEMBL3401326) Show SMILES Cl.S=C(NCCCNCCCCCNCCCNC(=S)NCC(c1ccccc1)c1ccccc1)NCC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C41H54N6S2.ClH/c48-40(46-32-38(34-18-6-1-7-19-34)35-20-8-2-9-21-35)44-30-16-28-42-26-14-5-15-27-43-29-17-31-45-41(49)47-33-39(36-22-10-3-11-23-36)37-24-12-4-13-25-37;/h1-4,6-13,18-25,38-39,42-43H,5,14-17,26-33H2,(H2,44,46,48)(H2,45,47,49);1H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
John Hopkins University Curated by ChEMBL					Assay Description Inhibition of MAO-A (unknown origin) by MAo-Glo kit analysis				Bioorg Med Chem 23: 1601-12 (2015) Article DOI: 10.1016/j.bmc.2015.01.049 BindingDB Entry DOI: 10.7270/Q25Q4XSD
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50065386 (CHEMBL3401327) Show SMILES Cl.S=C(NCCCNCCCCCNCCCNC(=S)NCCC(c1ccccc1)c1ccccc1)NCCC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C43H58N6S2.ClH/c50-42(48-34-26-40(36-18-6-1-7-19-36)37-20-8-2-9-21-37)46-32-16-30-44-28-14-5-15-29-45-31-17-33-47-43(51)49-35-27-41(38-22-10-3-11-23-38)39-24-12-4-13-25-39;/h1-4,6-13,18-25,40-41,44-45H,5,14-17,26-35H2,(H2,46,48,50)(H2,47,49,51);1H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
John Hopkins University Curated by ChEMBL					Assay Description Inhibition of MAO-A (unknown origin) by MAo-Glo kit analysis				Bioorg Med Chem 23: 1601-12 (2015) Article DOI: 10.1016/j.bmc.2015.01.049 BindingDB Entry DOI: 10.7270/Q25Q4XSD
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50254665 (CHEMBL482371 | N1-((2S,3R)-4-(cyclopropylamino)-3-...) Show SMILES C[C@@H](NC(=O)c1cc(O)cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccccc1 |r| Show InChI InChI=1S/C29H33N3O4/c1-19(21-10-6-3-7-11-21)31-28(35)22-15-23(17-25(33)16-22)29(36)32-26(14-20-8-4-2-5-9-20)27(34)18-30-24-12-13-24/h2-11,15-17,19,24,26-27,30,33-34H,12-14,18H2,1H3,(H,31,35)(H,32,36)/t19-,26+,27-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of BACE2 expressed in human 293T cells				Bioorg Med Chem Lett 19: 264-74 (2008) Article DOI: 10.1016/j.bmcl.2008.10.096 BindingDB Entry DOI: 10.7270/Q2ZP4606
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50254666 (CHEMBL479421 | N1-((2S,3R)-4-(cyclopropylamino)-3-...) Show SMILES COc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)C(=O)N[C@H](C)c1ccccc1 |r| Show InChI InChI=1S/C30H35N3O4/c1-20(22-11-7-4-8-12-22)32-29(35)23-16-24(18-26(17-23)37-2)30(36)33-27(15-21-9-5-3-6-10-21)28(34)19-31-25-13-14-25/h3-12,16-18,20,25,27-28,31,34H,13-15,19H2,1-2H3,(H,32,35)(H,33,36)/t20-,27+,28-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of BACE2 expressed in human 293T cells				Bioorg Med Chem Lett 19: 264-74 (2008) Article DOI: 10.1016/j.bmcl.2008.10.096 BindingDB Entry DOI: 10.7270/Q2ZP4606
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50254667 (CHEMBL518294 | N1-((2S,3R)-4-(cyclopropylamino)-3-...) Show SMILES C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)C#C)c1ccccc1 |r| Show InChI InChI=1S/C31H33N3O3/c1-3-22-16-25(30(36)33-21(2)24-12-8-5-9-13-24)19-26(17-22)31(37)34-28(18-23-10-6-4-7-11-23)29(35)20-32-27-14-15-27/h1,4-13,16-17,19,21,27-29,32,35H,14-15,18,20H2,2H3,(H,33,36)(H,34,37)/t21-,28+,29-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of BACE2 expressed in human 293T cells				Bioorg Med Chem Lett 19: 264-74 (2008) Article DOI: 10.1016/j.bmcl.2008.10.096 BindingDB Entry DOI: 10.7270/Q2ZP4606
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50254707 (CHEMBL473652 | N1-((2S,3R)-4-(cyclopropylamino)-3-...) Show SMILES C[C@@H](NC(=O)c1cc(cc(c1)-c1ccsc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccccc1 |r| Show InChI InChI=1S/C33H35N3O3S/c1-22(24-10-6-3-7-11-24)35-32(38)27-17-26(25-14-15-40-21-25)18-28(19-27)33(39)36-30(16-23-8-4-2-5-9-23)31(37)20-34-29-12-13-29/h2-11,14-15,17-19,21-22,29-31,34,37H,12-13,16,20H2,1H3,(H,35,38)(H,36,39)/t22-,30+,31-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of BACE2 expressed in human 293T cells				Bioorg Med Chem Lett 19: 264-74 (2008) Article DOI: 10.1016/j.bmcl.2008.10.096 BindingDB Entry DOI: 10.7270/Q2ZP4606
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50254708 (4'-Chloro-biphenyl-3,5-dicarboxylic acid 3-[((1S,2...) Show SMILES C[C@@H](NC(=O)c1cc(cc(c1)-c1ccc(Cl)cc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccccc1 |r| Show InChI InChI=1S/C35H36ClN3O3/c1-23(25-10-6-3-7-11-25)38-34(41)28-19-27(26-12-14-30(36)15-13-26)20-29(21-28)35(42)39-32(18-24-8-4-2-5-9-24)33(40)22-37-31-16-17-31/h2-15,19-21,23,31-33,37,40H,16-18,22H2,1H3,(H,38,41)(H,39,42)/t23-,32+,33-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of BACE2 expressed in human 293T cells				Bioorg Med Chem Lett 19: 264-74 (2008) Article DOI: 10.1016/j.bmcl.2008.10.096 BindingDB Entry DOI: 10.7270/Q2ZP4606
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50254709 (CHEMBL450801 | N1-((2S,3R)-4-(cyclopropylamino)-3-...) Show SMILES C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)C#Cc1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C37H37N3O3/c1-26(30-15-9-4-10-16-30)39-36(42)31-21-29(18-17-27-11-5-2-6-12-27)22-32(24-31)37(43)40-34(23-28-13-7-3-8-14-28)35(41)25-38-33-19-20-33/h2-16,21-22,24,26,33-35,38,41H,19-20,23,25H2,1H3,(H,39,42)(H,40,43)/t26-,34+,35-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of BACE2 expressed in human 293T cells				Bioorg Med Chem Lett 19: 264-74 (2008) Article DOI: 10.1016/j.bmcl.2008.10.096 BindingDB Entry DOI: 10.7270/Q2ZP4606
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50254710 (5-(1-benzyl-1H-1,2,3-triazol-4-yl)-N1-((2S,3R)-4-(...) Show SMILES C[C@@H](NC(=O)c1cc(cc(c1)-c1cn(Cc2ccccc2)nn1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccccc1 |r| Show InChI InChI=1S/C38H40N6O3/c1-26(29-15-9-4-10-16-29)40-37(46)31-20-30(35-25-44(43-42-35)24-28-13-7-3-8-14-28)21-32(22-31)38(47)41-34(19-27-11-5-2-6-12-27)36(45)23-39-33-17-18-33/h2-16,20-22,25-26,33-34,36,39,45H,17-19,23-24H2,1H3,(H,40,46)(H,41,47)/t26-,34+,36-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of BACE2 expressed in human 293T cells				Bioorg Med Chem Lett 19: 264-74 (2008) Article DOI: 10.1016/j.bmcl.2008.10.096 BindingDB Entry DOI: 10.7270/Q2ZP4606
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50254713 (CHEMBL514310 | N6-((2S,3R)-4-(cyclopropylamino)-3-...) Show SMILES C[C@@H](NC(=O)c1cc(cc2oc(C)cc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccccc1 |r| Show InChI InChI=1S/C32H35N3O4/c1-20-15-26-27(32(38)34-21(2)23-11-7-4-8-12-23)17-24(18-30(26)39-20)31(37)35-28(16-22-9-5-3-6-10-22)29(36)19-33-25-13-14-25/h3-12,15,17-18,21,25,28-29,33,36H,13-14,16,19H2,1-2H3,(H,34,38)(H,35,37)/t21-,28+,29-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of BACE2 expressed in human 293T cells				Bioorg Med Chem Lett 19: 264-74 (2008) Article DOI: 10.1016/j.bmcl.2008.10.096 BindingDB Entry DOI: 10.7270/Q2ZP4606
					More data for this Ligand-Target Pair

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