Compile Data Set for Download or QSAR

Found 539 hits with Last Name = 'basso' and Initial = 'm'   

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))	BDBM113742 (N-[4-(2-Hydrazinylethyl)phenyl]-4-phenylbutanamide...) Show SMILES NNCCc1ccc(NC(=O)CCCc2ccccc2)cc1 Show InChI InChI=1S/C18H23N3O/c19-20-14-13-16-9-11-17(12-10-16)21-18(22)8-4-7-15-5-2-1-3-6-15/h1-3,5-6,9-12,20H,4,7-8,13-14,19H2,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	59	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Johns Hopkins University School of Medicine , Baltimore, Maryland 21205, United States					Assay Description Reactions (100 µL) were initiated by the addition of 2 µL of GST-LSD1 (final concentration 96-154 nM). The reaction mixture contained 50 mM...				ACS Chem Biol 9: 1284-93 (2014) Article DOI: 10.1021/cb500018s BindingDB Entry DOI: 10.7270/Q2FN14VF
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM113750 ((2E)-N-[4-(2-Hydrazinylethyl)phenyl]-3-phenylprop-...) Show SMILES NNCCc1ccc(NC(=O)\C=C\c2ccccc2)cc1 Show InChI InChI=1S/C17H19N3O/c18-19-13-12-15-6-9-16(10-7-15)20-17(21)11-8-14-4-2-1-3-5-14/h1-11,19H,12-13,18H2,(H,20,21)/b11-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Johns Hopkins University School of Medicine , Baltimore, Maryland 21205, United States					Assay Description Reactions (100 µL) were initiated by the addition of 2 µL of GST-LSD1 (final concentration 96-154 nM). The reaction mixture contained 50 mM...				ACS Chem Biol 9: 1284-93 (2014) Article DOI: 10.1021/cb500018s BindingDB Entry DOI: 10.7270/Q2FN14VF
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM113753 (N-[4-(2-Hydrazinylethyl)phenyl]-4-(1H-indol-3-yl)b...) Show SMILES NNCCc1ccc(NC(=O)CCCc2c[nH]c3ccccc23)cc1 Show InChI InChI=1S/C20H24N4O/c21-23-13-12-15-8-10-17(11-9-15)24-20(25)7-3-4-16-14-22-19-6-2-1-5-18(16)19/h1-2,5-6,8-11,14,22-23H,3-4,7,12-13,21H2,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Johns Hopkins University School of Medicine , Baltimore, Maryland 21205, United States					Assay Description Reactions (100 µL) were initiated by the addition of 2 µL of GST-LSD1 (final concentration 96-154 nM). The reaction mixture contained 50 mM...				ACS Chem Biol 9: 1284-93 (2014) Article DOI: 10.1021/cb500018s BindingDB Entry DOI: 10.7270/Q2FN14VF
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM113745 (4-(4-Fluorophenyl)-N-[4-(2-hydrazinylethyl)phenyl]...) Show SMILES NNCCc1ccc(NC(=O)CCCc2ccc(F)cc2)cc1 Show InChI InChI=1S/C18H22FN3O/c19-16-8-4-14(5-9-16)2-1-3-18(23)22-17-10-6-15(7-11-17)12-13-21-20/h4-11,21H,1-3,12-13,20H2,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	138	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Johns Hopkins University School of Medicine , Baltimore, Maryland 21205, United States					Assay Description Reactions (100 µL) were initiated by the addition of 2 µL of GST-LSD1 (final concentration 96-154 nM). The reaction mixture contained 50 mM...				ACS Chem Biol 9: 1284-93 (2014) Article DOI: 10.1021/cb500018s BindingDB Entry DOI: 10.7270/Q2FN14VF
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM113744 (4-(4-Chlorophenyl)-N-[4-(2-hydrazinylethyl)phenyl]...) Show SMILES NNCCc1ccc(NC(=O)CCCc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C18H22ClN3O/c19-16-8-4-14(5-9-16)2-1-3-18(23)22-17-10-6-15(7-11-17)12-13-21-20/h4-11,21H,1-3,12-13,20H2,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	156	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Johns Hopkins University School of Medicine , Baltimore, Maryland 21205, United States					Assay Description Reactions (100 µL) were initiated by the addition of 2 µL of GST-LSD1 (final concentration 96-154 nM). The reaction mixture contained 50 mM...				ACS Chem Biol 9: 1284-93 (2014) Article DOI: 10.1021/cb500018s BindingDB Entry DOI: 10.7270/Q2FN14VF
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM113748 (2-(3-{[4-(2-Hydrazinylethyl)phenyl]amino}-3-oxopro...) Show SMILES CS(=O)(=O)Oc1ccccc1CCC(=O)Nc1ccc(CCNN)cc1 Show InChI InChI=1S/C18H23N3O4S/c1-26(23,24)25-17-5-3-2-4-15(17)8-11-18(22)21-16-9-6-14(7-10-16)12-13-20-19/h2-7,9-10,20H,8,11-13,19H2,1H3,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	204	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Johns Hopkins University School of Medicine , Baltimore, Maryland 21205, United States					Assay Description Reactions (100 µL) were initiated by the addition of 2 µL of GST-LSD1 (final concentration 96-154 nM). The reaction mixture contained 50 mM...				ACS Chem Biol 9: 1284-93 (2014) Article DOI: 10.1021/cb500018s BindingDB Entry DOI: 10.7270/Q2FN14VF
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM113746 (N-[4-(2-Hydrazinylethyl)phenyl]-4-(4-methoxyphenyl...) Show SMILES COc1ccc(CCCC(=O)Nc2ccc(CCNN)cc2)cc1 Show InChI InChI=1S/C19H25N3O2/c1-24-18-11-7-15(8-12-18)3-2-4-19(23)22-17-9-5-16(6-10-17)13-14-21-20/h5-12,21H,2-4,13-14,20H2,1H3,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	207	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Johns Hopkins University School of Medicine , Baltimore, Maryland 21205, United States					Assay Description Reactions (100 µL) were initiated by the addition of 2 µL of GST-LSD1 (final concentration 96-154 nM). The reaction mixture contained 50 mM...				ACS Chem Biol 9: 1284-93 (2014) Article DOI: 10.1021/cb500018s BindingDB Entry DOI: 10.7270/Q2FN14VF
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM113752 (N-[4-(2-Hydrazinylethyl)phenyl]-3-(1H-indol-3-yl)p...) Show SMILES NNCCc1ccc(NC(=O)CCc2c[nH]c3ccccc23)cc1 Show InChI InChI=1S/C19H22N4O/c20-22-12-11-14-5-8-16(9-6-14)23-19(24)10-7-15-13-21-18-4-2-1-3-17(15)18/h1-6,8-9,13,21-22H,7,10-12,20H2,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Johns Hopkins University School of Medicine , Baltimore, Maryland 21205, United States					Assay Description Reactions (100 µL) were initiated by the addition of 2 µL of GST-LSD1 (final concentration 96-154 nM). The reaction mixture contained 50 mM...				ACS Chem Biol 9: 1284-93 (2014) Article DOI: 10.1021/cb500018s BindingDB Entry DOI: 10.7270/Q2FN14VF
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM113749 (3-(3-{[4-(2-Hydrazinylethyl)phenyl]amino}-3-oxopro...) Show SMILES CS(=O)(=O)Oc1cccc(CCC(=O)Nc2ccc(CCNN)cc2)c1 Show InChI InChI=1S/C18H23N3O4S/c1-26(23,24)25-17-4-2-3-15(13-17)7-10-18(22)21-16-8-5-14(6-9-16)11-12-20-19/h2-6,8-9,13,20H,7,10-12,19H2,1H3,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	223	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Johns Hopkins University School of Medicine , Baltimore, Maryland 21205, United States					Assay Description Reactions (100 µL) were initiated by the addition of 2 µL of GST-LSD1 (final concentration 96-154 nM). The reaction mixture contained 50 mM...				ACS Chem Biol 9: 1284-93 (2014) Article DOI: 10.1021/cb500018s BindingDB Entry DOI: 10.7270/Q2FN14VF
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM113741 (N-[4-(2-Hydrazinylethyl)phenyl]-3-phenylpropanamid...) Show SMILES NNCCc1ccc(NC(=O)CCc2ccccc2)cc1 Show InChI InChI=1S/C17H21N3O/c18-19-13-12-15-6-9-16(10-7-15)20-17(21)11-8-14-4-2-1-3-5-14/h1-7,9-10,19H,8,11-13,18H2,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	260	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Johns Hopkins University School of Medicine , Baltimore, Maryland 21205, United States					Assay Description Reactions (100 µL) were initiated by the addition of 2 µL of GST-LSD1 (final concentration 96-154 nM). The reaction mixture contained 50 mM...				ACS Chem Biol 9: 1284-93 (2014) Article DOI: 10.1021/cb500018s BindingDB Entry DOI: 10.7270/Q2FN14VF
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM113743 (N-[4-(2-Hydrazinylethyl)phenyl]-5-phenylpentanamid...) Show SMILES NNCCc1ccc(NC(=O)CCCCc2ccccc2)cc1 Show InChI InChI=1S/C19H25N3O/c20-21-15-14-17-10-12-18(13-11-17)22-19(23)9-5-4-8-16-6-2-1-3-7-16/h1-3,6-7,10-13,21H,4-5,8-9,14-15,20H2,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	260	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Johns Hopkins University School of Medicine , Baltimore, Maryland 21205, United States					Assay Description Reactions (100 µL) were initiated by the addition of 2 µL of GST-LSD1 (final concentration 96-154 nM). The reaction mixture contained 50 mM...				ACS Chem Biol 9: 1284-93 (2014) Article DOI: 10.1021/cb500018s BindingDB Entry DOI: 10.7270/Q2FN14VF
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM113739 (N-[4-(2-Hydrazinylethyl)phenyl]benzamide dihydroch...) Show SMILES NNCCc1ccc(NC(=O)c2ccccc2)cc1 Show InChI InChI=1S/C15H17N3O/c16-17-11-10-12-6-8-14(9-7-12)18-15(19)13-4-2-1-3-5-13/h1-9,17H,10-11,16H2,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	280	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Johns Hopkins University School of Medicine , Baltimore, Maryland 21205, United States					Assay Description Reactions (100 µL) were initiated by the addition of 2 µL of GST-LSD1 (final concentration 96-154 nM). The reaction mixture contained 50 mM...				ACS Chem Biol 9: 1284-93 (2014) Article DOI: 10.1021/cb500018s BindingDB Entry DOI: 10.7270/Q2FN14VF
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM113747 (N-[4-(2-Hydrazinylethyl)phenyl]-4-(4-nitrophenyl)b...) Show SMILES NNCCc1ccc(NC(=O)CCCc2ccc(cc2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C18H22N4O3/c19-20-13-12-15-4-8-16(9-5-15)21-18(23)3-1-2-14-6-10-17(11-7-14)22(24)25/h4-11,20H,1-3,12-13,19H2,(H,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	282	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Johns Hopkins University School of Medicine , Baltimore, Maryland 21205, United States					Assay Description Reactions (100 µL) were initiated by the addition of 2 µL of GST-LSD1 (final concentration 96-154 nM). The reaction mixture contained 50 mM...				ACS Chem Biol 9: 1284-93 (2014) Article DOI: 10.1021/cb500018s BindingDB Entry DOI: 10.7270/Q2FN14VF
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM113740 (N-[4-(2-Hydrazinylethyl)phenyl]-2-phenylacetamide ...) Show SMILES NNCCc1ccc(NC(=O)Cc2ccccc2)cc1 Show InChI InChI=1S/C16H19N3O/c17-18-11-10-13-6-8-15(9-7-13)19-16(20)12-14-4-2-1-3-5-14/h1-9,18H,10-12,17H2,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	370	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Johns Hopkins University School of Medicine , Baltimore, Maryland 21205, United States					Assay Description Reactions (100 µL) were initiated by the addition of 2 µL of GST-LSD1 (final concentration 96-154 nM). The reaction mixture contained 50 mM...				ACS Chem Biol 9: 1284-93 (2014) Article DOI: 10.1021/cb500018s BindingDB Entry DOI: 10.7270/Q2FN14VF
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50105417 (CHEMBL1089 | Nardil | PHENELZINE | Phenethyl-hydra...) Show SMILES NNCCc1ccccc1 Show InChI InChI=1S/C8H12N2/c9-10-7-6-8-4-2-1-3-5-8/h1-5,10H,6-7,9H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	820	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Johns Hopkins University School of Medicine , Baltimore, Maryland 21205, United States					Assay Description Reactions (100 µL) were initiated by the addition of 2 µL MAO-A/B (final concentrations were 100-200 nM and 0.837 µM for MAO-A and MAO...				ACS Chem Biol 9: 1284-93 (2014) Article DOI: 10.1021/cb500018s BindingDB Entry DOI: 10.7270/Q2FN14VF
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM113751 ({3-[4-(Benxyloxy)phenyl]propyl}hydrazine dihydroch...) Show SMILES NNCCCc1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C16H20N2O/c17-18-12-4-7-14-8-10-16(11-9-14)19-13-15-5-2-1-3-6-15/h1-3,5-6,8-11,18H,4,7,12-13,17H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	900	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Johns Hopkins University School of Medicine , Baltimore, Maryland 21205, United States					Assay Description Reactions (100 µL) were initiated by the addition of 2 µL of GST-LSD1 (final concentration 96-154 nM). The reaction mixture contained 50 mM...				ACS Chem Biol 9: 1284-93 (2014) Article DOI: 10.1021/cb500018s BindingDB Entry DOI: 10.7270/Q2FN14VF
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM113755 (N-Benzyl-N-[4-(2-hydrazinylethyl)phenyl]-4-phenylb...) Show SMILES NNCCc1ccc(cc1)N(Cc1ccccc1)C(=O)CCCc1ccccc1 Show InChI InChI=1S/C25H29N3O/c26-27-19-18-22-14-16-24(17-15-22)28(20-23-10-5-2-6-11-23)25(29)13-7-12-21-8-3-1-4-9-21/h1-6,8-11,14-17,27H,7,12-13,18-20,26H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Johns Hopkins University School of Medicine , Baltimore, Maryland 21205, United States					Assay Description Reactions (100 µL) were initiated by the addition of 2 µL of GST-LSD1 (final concentration 96-154 nM). The reaction mixture contained 50 mM...				ACS Chem Biol 9: 1284-93 (2014) Article DOI: 10.1021/cb500018s BindingDB Entry DOI: 10.7270/Q2FN14VF
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM113754 (N-[4-(2-Hydrazinylethyl)phenyl]-N-methyl-4-phenylb...) Show SMILES CN(C(=O)CCCc1ccccc1)c1ccc(CCNN)cc1 Show InChI InChI=1S/C19H25N3O/c1-22(18-12-10-17(11-13-18)14-15-21-20)19(23)9-5-8-16-6-3-2-4-7-16/h2-4,6-7,10-13,21H,5,8-9,14-15,20H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Johns Hopkins University School of Medicine , Baltimore, Maryland 21205, United States					Assay Description Reactions (100 µL) were initiated by the addition of 2 µL of GST-LSD1 (final concentration 96-154 nM). The reaction mixture contained 50 mM...				ACS Chem Biol 9: 1284-93 (2014) Article DOI: 10.1021/cb500018s BindingDB Entry DOI: 10.7270/Q2FN14VF
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM113742 (N-[4-(2-Hydrazinylethyl)phenyl]-4-phenylbutanamide...) Show SMILES NNCCc1ccc(NC(=O)CCCc2ccccc2)cc1 Show InChI InChI=1S/C18H23N3O/c19-20-14-13-16-9-11-17(12-10-16)21-18(22)8-4-7-15-5-2-1-3-6-15/h1-3,5-6,9-12,20H,4,7-8,13-14,19H2,(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Johns Hopkins University School of Medicine , Baltimore, Maryland 21205, United States					Assay Description Reactions (100 µL) were initiated by the addition of 2 µL MAO-A/B (final concentrations were 100-200 nM and 0.837 µM for MAO-A and MAO...				ACS Chem Biol 9: 1284-93 (2014) Article DOI: 10.1021/cb500018s BindingDB Entry DOI: 10.7270/Q2FN14VF
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50105417 (CHEMBL1089 | Nardil | PHENELZINE | Phenethyl-hydra...) Show SMILES NNCCc1ccccc1 Show InChI InChI=1S/C8H12N2/c9-10-7-6-8-4-2-1-3-5-8/h1-5,10H,6-7,9H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Johns Hopkins University School of Medicine , Baltimore, Maryland 21205, United States					Assay Description Reactions (100 µL) were initiated by the addition of 2 µL MAO-A/B (final concentrations were 100-200 nM and 0.837 µM for MAO-A and MAO...				ACS Chem Biol 9: 1284-93 (2014) Article DOI: 10.1021/cb500018s BindingDB Entry DOI: 10.7270/Q2FN14VF
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM113730 ((3-Phenylpropyl)hydrazine dihydrochloride salt (9c...) Show SMILES NNCCCc1ccccc1 Show InChI InChI=1S/C9H14N2/c10-11-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,11H,4,7-8,10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Johns Hopkins University School of Medicine , Baltimore, Maryland 21205, United States					Assay Description Reactions (100 µL) were initiated by the addition of 2 µL of GST-LSD1 (final concentration 96-154 nM). The reaction mixture contained 50 mM...				ACS Chem Biol 9: 1284-93 (2014) Article DOI: 10.1021/cb500018s BindingDB Entry DOI: 10.7270/Q2FN14VF
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50105417 (CHEMBL1089 | Nardil | PHENELZINE | Phenethyl-hydra...) Show SMILES NNCCc1ccccc1 Show InChI InChI=1S/C8H12N2/c9-10-7-6-8-4-2-1-3-5-8/h1-5,10H,6-7,9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Johns Hopkins University School of Medicine , Baltimore, Maryland 21205, United States					Assay Description Reactions (100 µL) were initiated by the addition of 2 µL of GST-LSD1 (final concentration 96-154 nM). The reaction mixture contained 50 mM...				ACS Chem Biol 9: 1284-93 (2014) Article DOI: 10.1021/cb500018s BindingDB Entry DOI: 10.7270/Q2FN14VF
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM113742 (N-[4-(2-Hydrazinylethyl)phenyl]-4-phenylbutanamide...) Show SMILES NNCCc1ccc(NC(=O)CCCc2ccccc2)cc1 Show InChI InChI=1S/C18H23N3O/c19-20-14-13-16-9-11-17(12-10-16)21-18(22)8-4-7-15-5-2-1-3-6-15/h1-3,5-6,9-12,20H,4,7-8,13-14,19H2,(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Johns Hopkins University School of Medicine , Baltimore, Maryland 21205, United States					Assay Description Reactions (100 µL) were initiated by the addition of 2 µL MAO-A/B (final concentrations were 100-200 nM and 0.837 µM for MAO-A and MAO...				ACS Chem Biol 9: 1284-93 (2014) Article DOI: 10.1021/cb500018s BindingDB Entry DOI: 10.7270/Q2FN14VF
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM113732 ([3-(4-Methoxyphenyl)propyl]hydrazine dihydrochlori...) Show SMILES COc1ccc(CCCNN)cc1 Show InChI InChI=1S/C10H16N2O/c1-13-10-6-4-9(5-7-10)3-2-8-12-11/h4-7,12H,2-3,8,11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Johns Hopkins University School of Medicine , Baltimore, Maryland 21205, United States					Assay Description Reactions (100 µL) were initiated by the addition of 2 µL of GST-LSD1 (final concentration 96-154 nM). The reaction mixture contained 50 mM...				ACS Chem Biol 9: 1284-93 (2014) Article DOI: 10.1021/cb500018s BindingDB Entry DOI: 10.7270/Q2FN14VF
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM113737 ((3-Phenoxypropyl)hydrazine dihydrochloride salt (1...) Show SMILES NNCCCOc1ccccc1 Show InChI InChI=1S/C9H14N2O/c10-11-7-4-8-12-9-5-2-1-3-6-9/h1-3,5-6,11H,4,7-8,10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Johns Hopkins University School of Medicine , Baltimore, Maryland 21205, United States					Assay Description Reactions (100 µL) were initiated by the addition of 2 µL of GST-LSD1 (final concentration 96-154 nM). The reaction mixture contained 50 mM...				ACS Chem Biol 9: 1284-93 (2014) Article DOI: 10.1021/cb500018s BindingDB Entry DOI: 10.7270/Q2FN14VF
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM113735 ((4-Phenylbutyl)hydrazine dihydrochloride salt (9h)) Show SMILES NNCCCCc1ccccc1 Show InChI InChI=1S/C10H16N2/c11-12-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7,12H,4-5,8-9,11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Johns Hopkins University School of Medicine , Baltimore, Maryland 21205, United States					Assay Description Reactions (100 µL) were initiated by the addition of 2 µL of GST-LSD1 (final concentration 96-154 nM). The reaction mixture contained 50 mM...				ACS Chem Biol 9: 1284-93 (2014) Article DOI: 10.1021/cb500018s BindingDB Entry DOI: 10.7270/Q2FN14VF
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM113736 ((2-Phenoxyethyl)hydrazine dihydrochloride salt (10...) Show SMILES NNCCOc1ccccc1 Show InChI InChI=1S/C8H12N2O/c9-10-6-7-11-8-4-2-1-3-5-8/h1-5,10H,6-7,9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	4.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Johns Hopkins University School of Medicine , Baltimore, Maryland 21205, United States					Assay Description Reactions (100 µL) were initiated by the addition of 2 µL of GST-LSD1 (final concentration 96-154 nM). The reaction mixture contained 50 mM...				ACS Chem Biol 9: 1284-93 (2014) Article DOI: 10.1021/cb500018s BindingDB Entry DOI: 10.7270/Q2FN14VF
					More data for this Ligand-Target Pair
Endothelial lipase (Homo sapiens (Human))	BDBM50506506 (CHEMBL4465833) Show SMILES NS(=O)(=O)NCc1nnc(o1)C(=O)c1nc2cc(F)c(cc2s1)C(=O)NCC(F)(F)F Show InChI InChI=1S/C14H10F4N6O5S2/c15-6-2-7-8(1-5(6)11(26)20-4-14(16,17)18)30-13(22-7)10(25)12-24-23-9(29-12)3-21-31(19,27)28/h1-2,21H,3-4H2,(H,20,26)(H2,19,27,28)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of EL in human HT1080 cells using A10070 as substrate preincubated for 20 min followed by DMPG vesicle doped substrate addition and measur...				J Med Chem 63: 1660-1670 (2020) Article DOI: 10.1021/acs.jmedchem.9b01831 BindingDB Entry DOI: 10.7270/Q28G8PZS
					More data for this Ligand-Target Pair
Endothelial lipase (Homo sapiens (Human))	BDBM50506498 (CHEMBL4581886) Show SMILES NS(=O)(=O)NCc1nnc(o1)C(=O)c1nc2cc(c(F)cc2s1)-c1ccc2C(=O)NCc2c1 Show InChI InChI=1S/C19H13FN6O5S2/c20-12-5-14-13(4-11(12)8-1-2-10-9(3-8)6-22-17(10)28)24-19(32-14)16(27)18-26-25-15(31-18)7-23-33(21,29)30/h1-5,23H,6-7H2,(H,22,28)(H2,21,29,30)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of EL in human HT1080 cells using A10070 as substrate preincubated for 20 min followed by DMPG vesicle doped substrate addition and measur...				J Med Chem 63: 1660-1670 (2020) Article DOI: 10.1021/acs.jmedchem.9b01831 BindingDB Entry DOI: 10.7270/Q28G8PZS
					More data for this Ligand-Target Pair
Endothelial lipase (Homo sapiens (Human))	BDBM50506505 (CHEMBL4460376) Show SMILES NS(=O)(=O)NCc1nnc(o1)C(=O)c1nc2cc(c(F)cc2s1)-c1ccc(cc1)C(=O)NCC(F)(F)F Show InChI InChI=1S/C20H14F4N6O5S2/c21-12-6-14-13(5-11(12)9-1-3-10(4-2-9)17(32)26-8-20(22,23)24)28-19(36-14)16(31)18-30-29-15(35-18)7-27-37(25,33)34/h1-6,27H,7-8H2,(H,26,32)(H2,25,33,34)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of EL in human HT1080 cells using A10070 as substrate preincubated for 20 min followed by DMPG vesicle doped substrate addition and measur...				J Med Chem 63: 1660-1670 (2020) Article DOI: 10.1021/acs.jmedchem.9b01831 BindingDB Entry DOI: 10.7270/Q28G8PZS
					More data for this Ligand-Target Pair
Endothelial lipase (Homo sapiens (Human))	BDBM50506504 (CHEMBL4460663) Show SMILES NS(=O)(=O)NCc1nnc(o1)C(=O)c1nc2cc(F)c(cc2s1)-c1ccc2C(=O)NCc2c1 Show InChI InChI=1S/C19H13FN6O5S2/c20-12-5-13-14(4-11(12)8-1-2-10-9(3-8)6-22-17(10)28)32-19(24-13)16(27)18-26-25-15(31-18)7-23-33(21,29)30/h1-5,23H,6-7H2,(H,22,28)(H2,21,29,30)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of EL in human HT1080 cells using A10070 as substrate preincubated for 20 min followed by DMPG vesicle doped substrate addition and measur...				J Med Chem 63: 1660-1670 (2020) Article DOI: 10.1021/acs.jmedchem.9b01831 BindingDB Entry DOI: 10.7270/Q28G8PZS
					More data for this Ligand-Target Pair
Endothelial lipase (Homo sapiens (Human))	BDBM50506501 (CHEMBL4563019) Show SMILES NS(=O)(=O)NCc1nnc(o1)C(=O)c1nc2cc(F)c(cc2s1)-c1ccc(C(=O)N2CCOCC2)c(F)c1 Show InChI InChI=1S/C22H18F2N6O6S2/c23-14-7-11(1-2-12(14)22(32)30-3-5-35-6-4-30)13-8-17-16(9-15(13)24)27-21(37-17)19(31)20-29-28-18(36-20)10-26-38(25,33)34/h1-2,7-9,26H,3-6,10H2,(H2,25,33,34)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of EL in human HT1080 cells using A10070 as substrate preincubated for 20 min followed by DMPG vesicle doped substrate addition and measur...				J Med Chem 63: 1660-1670 (2020) Article DOI: 10.1021/acs.jmedchem.9b01831 BindingDB Entry DOI: 10.7270/Q28G8PZS
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM50554034 (CHEMBL4747269) Show SMILES Nc1cc([C@H](CCN[C@H]2C[C@H](c3ccccc23)c2ccccc2)c2ccccc2)c2nn[nH]c2n1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human MPO incubated for 10 mins in presence of 120 mM NaCl by aminophenyl fluorescein based assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115723 BindingDB Entry DOI: 10.7270/Q21Z4829
					More data for this Ligand-Target Pair				3D Structure (crystal)
Endothelial lipase (Homo sapiens (Human))	BDBM50506500 (CHEMBL4471611) Show SMILES NS(=O)(=O)NCc1nnc(o1)C(=O)c1nc2cc(F)c(cc2s1)-c1ccc(F)nc1 Show InChI InChI=1S/C16H10F2N6O4S2/c17-9-4-10-11(3-8(9)7-1-2-12(18)20-5-7)29-16(22-10)14(25)15-24-23-13(28-15)6-21-30(19,26)27/h1-5,21H,6H2,(H2,19,26,27)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of EL in human HT1080 cells using A10070 as substrate preincubated for 20 min followed by DMPG vesicle doped substrate addition and measur...				J Med Chem 63: 1660-1670 (2020) Article DOI: 10.1021/acs.jmedchem.9b01831 BindingDB Entry DOI: 10.7270/Q28G8PZS
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta [154-461] (Homo sapiens (Human))	BDBM20024 (2-{4-[({3-[3-benzoyl-8-(trifluoromethyl)quinolin-4...) Show SMILES NC(=O)Cc1ccc(CNc2cccc(c2)-c2c(cnc3c(cccc23)C(F)(F)F)C(=O)c2ccccc2)cc1 Show InChI InChI=1S/C32H24F3N3O2/c33-32(34,35)27-11-5-10-25-29(26(19-38-30(25)27)31(40)22-6-2-1-3-7-22)23-8-4-9-24(17-23)37-18-21-14-12-20(13-15-21)16-28(36)39/h1-15,17,19,37H,16,18H2,(H2,36,39)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	316	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description Binding reaction was initiated by adding a dilution series of test compound in tracer solution to LXR-coated flash plates. Each concentration of test...				Bioorg Med Chem 15: 3321-33 (2007) Article DOI: 10.1016/j.bmc.2007.03.013 BindingDB Entry DOI: 10.7270/Q2VH5M37
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM50554035 (CHEMBL4790231) Show SMILES Nc1cc([C@H](CCNC23CCC(CC2)(CC3)c2ccccc2)c2ccccc2)c2nn[nH]c2n1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human MPO incubated for 10 mins in presence of 120 mM NaCl by aminophenyl fluorescein based assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115723 BindingDB Entry DOI: 10.7270/Q21Z4829
					More data for this Ligand-Target Pair				3D Structure (crystal)
Oxysterols receptor LXR-beta [154-461] (Homo sapiens (Human))	BDBM20015 (2-[4-({[3-(3-benzyl-8-chloroquinolin-4-yl)phenyl]a...) Show SMILES OC(=O)Cc1ccc(CNc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(Cl)cccc23)cc1 Show InChI InChI=1S/C31H25ClN2O2/c32-28-11-5-10-27-30(25(20-34-31(27)28)16-21-6-2-1-3-7-21)24-8-4-9-26(18-24)33-19-23-14-12-22(13-15-23)17-29(35)36/h1-15,18,20,33H,16-17,19H2,(H,35,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	23	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description Binding reaction was initiated by adding a dilution series of test compound in tracer solution to LXR-coated flash plates. Each concentration of test...				Bioorg Med Chem 15: 3321-33 (2007) Article DOI: 10.1016/j.bmc.2007.03.013 BindingDB Entry DOI: 10.7270/Q2VH5M37
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta [154-461] (Homo sapiens (Human))	BDBM20001 (2-{4-[({3-[3-benzyl-8-(trifluoromethyl)quinolin-4-...) Show SMILES OC(=O)Cc1ccc(CNc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(cccc23)C(F)(F)F)cc1 Show InChI InChI=1S/C32H25F3N2O2/c33-32(34,35)28-11-5-10-27-30(25(20-37-31(27)28)16-21-6-2-1-3-7-21)24-8-4-9-26(18-24)36-19-23-14-12-22(13-15-23)17-29(38)39/h1-15,18,20,36H,16-17,19H2,(H,38,39)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.90	n/a	33	n/a	n/a	7.4	4
Wyeth Research					Assay Description Binding reaction was initiated by adding a dilution series of test compound in tracer solution to LXR-coated flash plates. Each concentration of test...				J Med Chem 49: 6151-4 (2006) Article DOI: 10.1021/jm0609566 BindingDB Entry DOI: 10.7270/Q20863KH
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta [154-461] (Homo sapiens (Human))	BDBM20001 (2-{4-[({3-[3-benzyl-8-(trifluoromethyl)quinolin-4-...) Show SMILES OC(=O)Cc1ccc(CNc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(cccc23)C(F)(F)F)cc1 Show InChI InChI=1S/C32H25F3N2O2/c33-32(34,35)28-11-5-10-27-30(25(20-37-31(27)28)16-21-6-2-1-3-7-21)24-8-4-9-26(18-24)36-19-23-14-12-22(13-15-23)17-29(38)39/h1-15,18,20,36H,16-17,19H2,(H,38,39)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.90	n/a	33	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description Binding reaction was initiated by adding a dilution series of test compound in tracer solution to LXR-coated flash plates. Each concentration of test...				Bioorg Med Chem 15: 3321-33 (2007) Article DOI: 10.1016/j.bmc.2007.03.013 BindingDB Entry DOI: 10.7270/Q2VH5M37
					More data for this Ligand-Target Pair
Hepatic triacylglycerol lipase (Homo sapiens (Human))	BDBM50506499 (CHEMBL4463265) Show SMILES NS(=O)(=O)NCc1nnc(o1)C(=O)c1nc2ccc(cc2s1)-c1ccccc1 Show InChI InChI=1S/C17H13N5O4S2/c18-28(24,25)19-9-14-21-22-16(26-14)15(23)17-20-12-7-6-11(8-13(12)27-17)10-4-2-1-3-5-10/h1-8,19H,9H2,(H2,18,24,25)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human HL expressed in human COS7 cells using A10070 as substrate preincubated for 20 min followed by DMPG vesicle doped substrate addit...				J Med Chem 63: 1660-1670 (2020) Article DOI: 10.1021/acs.jmedchem.9b01831 BindingDB Entry DOI: 10.7270/Q28G8PZS
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM50554052 (CHEMBL4763667) Show SMILES Nc1cc([C@H](CCN[C@H]2CC[C@@H](CC2)c2ccccc2)c2ccccc2)c2nn[nH]c2n1 |r,wU:4.4,11.14,wD:8.7,(28.35,-39.89,;29.68,-39.12,;29.69,-37.58,;31.01,-36.8,;31,-35.26,;32.34,-34.49,;33.67,-35.25,;35.01,-34.48,;36.35,-35.25,;36.34,-36.78,;37.67,-37.55,;39.01,-36.78,;39.01,-35.24,;37.67,-34.47,;40.33,-37.55,;40.33,-39.1,;41.66,-39.87,;43,-39.1,;43,-37.55,;41.66,-36.78,;29.67,-34.5,;29.67,-32.96,;28.34,-32.19,;27,-32.97,;27.01,-34.52,;28.35,-35.27,;32.35,-37.57,;33.81,-37.09,;34.72,-38.34,;33.81,-39.59,;32.35,-39.11,;31.01,-39.89,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human MPO incubated for 10 mins in presence of 120 mM NaCl by aminophenyl fluorescein based assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115723 BindingDB Entry DOI: 10.7270/Q21Z4829
					More data for this Ligand-Target Pair				3D Structure (crystal)
Oxysterols receptor LXR-beta [154-461] (Homo sapiens (Human))	BDBM20001 (2-{4-[({3-[3-benzyl-8-(trifluoromethyl)quinolin-4-...) Show SMILES OC(=O)Cc1ccc(CNc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(cccc23)C(F)(F)F)cc1 Show InChI InChI=1S/C32H25F3N2O2/c33-32(34,35)28-11-5-10-27-30(25(20-37-31(27)28)16-21-6-2-1-3-7-21)24-8-4-9-26(18-24)36-19-23-14-12-22(13-15-23)17-29(38)39/h1-15,18,20,36H,16-17,19H2,(H,38,39)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	90	n/a	n/a	7.4	4
Wyeth Research					Assay Description Binding reaction was initiated by adding a dilution series of test compound in tracer solution to LXR-coated flash plates. Each concentration of test...				J Med Chem 51: 7161-8 (2008) Article DOI: 10.1021/jm800799q BindingDB Entry DOI: 10.7270/Q2XW4H4G
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta [154-461] (Homo sapiens (Human))	BDBM20000 (2-(4-{3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl...) Show SMILES OC(=O)Cc1ccc(COc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(cccc23)C(F)(F)F)cc1 Show InChI InChI=1S/C32H24F3NO3/c33-32(34,35)28-11-5-10-27-30(25(19-36-31(27)28)16-21-6-2-1-3-7-21)24-8-4-9-26(18-24)39-20-23-14-12-22(13-15-23)17-29(37)38/h1-15,18-19H,16-17,20H2,(H,37,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2	n/a	90	n/a	n/a	7.4	4
Wyeth Research					Assay Description Binding reaction was initiated by adding a dilution series of test compound in tracer solution to LXR-coated flash plates. Each concentration of test...				J Med Chem 51: 7161-8 (2008) Article DOI: 10.1021/jm800799q BindingDB Entry DOI: 10.7270/Q2XW4H4G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Oxysterols receptor LXR-beta [154-461] (Homo sapiens (Human))	BDBM20000 (2-(4-{3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl...) Show SMILES OC(=O)Cc1ccc(COc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(cccc23)C(F)(F)F)cc1 Show InChI InChI=1S/C32H24F3NO3/c33-32(34,35)28-11-5-10-27-30(25(19-36-31(27)28)16-21-6-2-1-3-7-21)24-8-4-9-26(18-24)39-20-23-14-12-22(13-15-23)17-29(37)38/h1-15,18-19H,16-17,20H2,(H,37,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.10	n/a	71	n/a	n/a	7.4	4
Wyeth Research					Assay Description Binding reaction was initiated by adding a dilution series of test compound in tracer solution to LXR-coated flash plates. Each concentration of test...				J Med Chem 49: 6151-4 (2006) Article DOI: 10.1021/jm0609566 BindingDB Entry DOI: 10.7270/Q20863KH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Oxysterols receptor LXR-beta [154-461] (Homo sapiens (Human))	BDBM20004 (2-{4-[({3-[3-benzoyl-8-(trifluoromethyl)quinolin-4...) Show SMILES OC(=O)Cc1ccc(CNc2cccc(c2)-c2c(cnc3c(cccc23)C(F)(F)F)C(=O)c2ccccc2)cc1 Show InChI InChI=1S/C32H23F3N2O3/c33-32(34,35)27-11-5-10-25-29(26(19-37-30(25)27)31(40)22-6-2-1-3-7-22)23-8-4-9-24(17-23)36-18-21-14-12-20(13-15-21)16-28(38)39/h1-15,17,19,36H,16,18H2,(H,38,39)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40	n/a	29	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description Binding reaction was initiated by adding a dilution series of test compound in tracer solution to LXR-coated flash plates. Each concentration of test...				Bioorg Med Chem 15: 3321-33 (2007) Article DOI: 10.1016/j.bmc.2007.03.013 BindingDB Entry DOI: 10.7270/Q2VH5M37
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta [154-461] (Homo sapiens (Human))	BDBM20020 (2-{4-[({3-[3-benzoyl-8-(trifluoromethyl)quinolin-4...) Show SMILES CC(C(O)=O)c1ccc(CNc2cccc(c2)-c2c(cnc3c(cccc23)C(F)(F)F)C(=O)c2ccccc2)cc1 Show InChI InChI=1S/C33H25F3N2O3/c1-20(32(40)41)22-15-13-21(14-16-22)18-37-25-10-5-9-24(17-25)29-26-11-6-12-28(33(34,35)36)30(26)38-19-27(29)31(39)23-7-3-2-4-8-23/h2-17,19-20,37H,18H2,1H3,(H,40,41)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60	n/a	58	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description Binding reaction was initiated by adding a dilution series of test compound in tracer solution to LXR-coated flash plates. Each concentration of test...				Bioorg Med Chem 15: 3321-33 (2007) Article DOI: 10.1016/j.bmc.2007.03.013 BindingDB Entry DOI: 10.7270/Q2VH5M37
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta [154-461] (Homo sapiens (Human))	BDBM20014 (2-[4-({[3-(3-benzoyl-8-chloroquinolin-4-yl)phenyl]...) Show SMILES OC(=O)Cc1ccc(CNc2cccc(c2)-c2c(cnc3c(Cl)cccc23)C(=O)c2ccccc2)cc1 Show InChI InChI=1S/C31H23ClN2O3/c32-27-11-5-10-25-29(26(19-34-30(25)27)31(37)22-6-2-1-3-7-22)23-8-4-9-24(17-23)33-18-21-14-12-20(13-15-21)16-28(35)36/h1-15,17,19,33H,16,18H2,(H,35,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70	n/a	39	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description Binding reaction was initiated by adding a dilution series of test compound in tracer solution to LXR-coated flash plates. Each concentration of test...				Bioorg Med Chem 15: 3321-33 (2007) Article DOI: 10.1016/j.bmc.2007.03.013 BindingDB Entry DOI: 10.7270/Q2VH5M37
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM50554050 (CHEMBL4752248) Show SMILES Nc1cc([C@H](CCN[C@@H]2CC[C@@H](c3ccccc3)c3ccccc23)c2ccccc2)c2nn[nH]c2n1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human MPO incubated for 10 mins in presence of 120 mM NaCl by aminophenyl fluorescein based assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115723 BindingDB Entry DOI: 10.7270/Q21Z4829
					More data for this Ligand-Target Pair
Hepatic triacylglycerol lipase (Homo sapiens (Human))	BDBM24567 ((2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-...) Show SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O |r| Show InChI InChI=1S/C29H53NO5/c1-5-7-9-11-12-13-14-15-16-18-24(34-29(33)26(30-22-31)20-23(3)4)21-27-25(28(32)35-27)19-17-10-8-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)/t24-,25-,26-,27-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of recombinant human HL expressed in COS7 cells using PED-A1 containing DMPG vesicles as substrate pretreated for 20 mins followed by subs...				ACS Med Chem Lett 9: 1263-1268 (2018) Article DOI: 10.1021/acsmedchemlett.8b00424 BindingDB Entry DOI: 10.7270/Q2TF01QC
					More data for this Ligand-Target Pair
Hepatic triacylglycerol lipase (Homo sapiens (Human))	BDBM187287 (US9169240, 27) Show SMILES CN(Cc1nnc(o1)C(=O)c1nc2ccc(cc2s1)-c1ccccc1)S(N)(=O)=O Show InChI InChI=1S/C18H15N5O4S2/c1-23(29(19,25)26)10-15-21-22-17(27-15)16(24)18-20-13-8-7-12(9-14(13)28-18)11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H2,19,25,26)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human HL expressed in human COS7 cells using A10070 as substrate preincubated for 20 min followed by DMPG vesicle doped substrate addit...				J Med Chem 63: 1660-1670 (2020) Article DOI: 10.1021/acs.jmedchem.9b01831 BindingDB Entry DOI: 10.7270/Q28G8PZS
					More data for this Ligand-Target Pair

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