Compile Data Set for Download or QSAR

Found 57 hits of ec50 for UniProtKB: O60341   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM254603 (US10214477, Example 5 | US9469597, 4 | US9670136, ...) Show SMILES NC1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1 |wU:10.12,wD:8.8,(11.17,-2.23,;9.76,-2.86,;8.52,-1.95,;7.11,-2.58,;6.95,-4.11,;8.19,-5.02,;9.6,-4.39,;5.54,-4.74,;4.21,-3.97,;2.67,-3.97,;3.44,-2.64,;3.44,-1.1,;2.1,-.33,;2.1,1.21,;3.44,1.98,;4.77,1.21,;4.77,-.33,)| Show InChI InChI=1S/C15H22N2/c16-12-6-8-13(9-7-12)17-15-10-14(15)11-4-2-1-3-5-11/h1-5,12-15,17H,6-10,16H2/t12?,13?,14-,15+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.950	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Inhibition of LSD1 in human MV-4-11 cells assessed as increase in CD86 mRNA expression after 10 days by SYBR Green dye-bsed RT-qPCR analysis				Eur J Med Chem 141: 101-112 (2017) Article DOI: 10.1016/j.ejmech.2017.09.073 BindingDB Entry DOI: 10.7270/Q2474DCP
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM424912 (2-(6-(((1R,2S)-2-((E)-1-phenylbut-1-en-2-yl)cyclop...) Show SMILES CC\C(=C/c1ccccc1)[C@@H]1C[C@H]1NC1CC2(C1)CN(CCO)C2 |r| Show InChI InChI=1S/C21H30N2O/c1-2-17(10-16-6-4-3-5-7-16)19-11-20(19)22-18-12-21(13-18)14-23(15-21)8-9-24/h3-7,10,18-20,22,24H,2,8-9,11-15H2,1H3/b17-10+/t19-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a
Constellation Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of LSD1 in human MV4-11 cells assessed as induction of LY96 mRNA expression incubated for 16 hrs by chemiluminescent method				ACS Med Chem Lett 11: 1213-1220 (2020) Article DOI: 10.1021/acsmedchemlett.0c00060 BindingDB Entry DOI: 10.7270/Q22N55VZ
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM283216 (4-[2-(4-amino-piperidin-1-yl)-5- (3-fluoro-4-metho...) Show SMILES COc1ccc(cc1F)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1 Show InChI InChI=1S/C24H23F2N5O2/c1-30-23(32)21(14-5-6-20(33-2)19(26)11-14)22(15-3-4-16(13-27)18(25)12-15)29-24(30)31-9-7-17(28)8-10-31/h3-6,11-12,17H,7-10,28H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	3	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of LSD1 in human NCI-H69 cells assessed as suppression of GRP mRNA expression incubated for 4 days by qPCR analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00978 BindingDB Entry DOI: 10.7270/Q2RJ4P33
					More data for this Ligand-Target Pair				3D Structure (crystal)
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50278411 (CHEMBL4170367) Show SMILES Cl.[H][C@]12Cc3ccccc3[C@@]1([H])[C@@]2([H])N[C@H]1CC[C@H](N)CC1 |r,wU:18.20,wD:10.11,2.0,15.16,12.14,(38.29,-9.18,;30.02,-9.7,;28.54,-9.31,;27.64,-10.57,;26.17,-10.09,;24.84,-10.87,;23.5,-10.1,;23.5,-8.55,;24.83,-7.78,;26.17,-8.54,;27.63,-8.06,;27.62,-6.52,;29.16,-7.91,;30.49,-8.67,;30.41,-7,;31.75,-7.74,;31.78,-9.28,;33.11,-10.02,;34.43,-9.23,;35.77,-9.98,;34.4,-7.7,;33.06,-6.95,)| Show InChI InChI=1S/C16H22N2.ClH/c17-11-5-7-12(8-6-11)18-16-14-9-10-3-1-2-4-13(10)15(14)16;/h1-4,11-12,14-16,18H,5-9,17H2;1H/t11-,12-,14-,15+,16-;/m0./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.60	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Inhibition of LSD1 in human MV-4-11 cells assessed as increase in CD86 mRNA expression after 10 days by SYBR Green dye-bsed RT-qPCR analysis				Eur J Med Chem 141: 101-112 (2017) Article DOI: 10.1016/j.ejmech.2017.09.073 BindingDB Entry DOI: 10.7270/Q2474DCP
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM283216 (4-[2-(4-amino-piperidin-1-yl)-5- (3-fluoro-4-metho...) Show SMILES COc1ccc(cc1F)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1 Show InChI InChI=1S/C24H23F2N5O2/c1-30-23(32)21(14-5-6-20(33-2)19(26)11-14)22(15-3-4-16(13-27)18(25)12-15)29-24(30)31-9-7-17(28)8-10-31/h3-6,11-12,17H,7-10,28H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	4	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of LSD1 in human NCI-H1417 cells assessed as suppression of GRP mRNA expression incubated for 4 days by qPCR analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00978 BindingDB Entry DOI: 10.7270/Q2RJ4P33
					More data for this Ligand-Target Pair				3D Structure (crystal)
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50545725 (CHEMBL4637061) Show SMILES CC\C(=C/c1ccccc1)[C@@H]1C[C@H]1NC1CCN(CCO)CC1 |r| Show InChI InChI=1S/C20H30N2O/c1-2-17(14-16-6-4-3-5-7-16)19-15-20(19)21-18-8-10-22(11-9-18)12-13-23/h3-7,14,18-21,23H,2,8-13,15H2,1H3/b17-14+/t19-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	4	n/a	n/a	n/a	n/a
Constellation Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of LSD1 in human MV4-11 cells assessed as induction of LY96 mRNA expression incubated for 16 hrs by chemiluminescent method				ACS Med Chem Lett 11: 1213-1220 (2020) Article DOI: 10.1021/acsmedchemlett.0c00060 BindingDB Entry DOI: 10.7270/Q22N55VZ
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50545723 (CHEMBL4637451) Show SMILES CC\C(=C/c1ccccc1)[C@@H]1C[C@H]1NC1CC2(C1)CN(C2)C1COC1 |r| Show InChI InChI=1S/C22H30N2O/c1-2-17(8-16-6-4-3-5-7-16)20-9-21(20)23-18-10-22(11-18)14-24(15-22)19-12-25-13-19/h3-8,18-21,23H,2,9-15H2,1H3/b17-8+/t20-,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	4	n/a	n/a	n/a	n/a
Constellation Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of LSD1 in human MV4-11 cells assessed as induction of LY96 mRNA expression incubated for 16 hrs by chemiluminescent method				ACS Med Chem Lett 11: 1213-1220 (2020) Article DOI: 10.1021/acsmedchemlett.0c00060 BindingDB Entry DOI: 10.7270/Q22N55VZ
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50278459 (CHEMBL4176756) Show SMILES Cl.[H][C@]12Cc3ccccc3[C@@]1([H])[C@@]2([H])N[C@@H]1CC[C@H](N)CC1 |r,wD:10.11,2.0,15.16,18.20,12.14,(41.3,-22.41,;36.24,-22.94,;34.76,-22.56,;33.86,-23.81,;32.39,-23.33,;31.06,-24.11,;29.72,-23.34,;29.72,-21.79,;31.05,-21.03,;32.39,-21.79,;33.86,-21.31,;33.84,-19.76,;35.39,-21.15,;36.03,-19.77,;36.92,-21.01,;37.69,-22.33,;39.22,-22.33,;39.99,-23.66,;39.22,-24.99,;39.99,-26.32,;37.69,-24.99,;36.92,-23.67,)| Show InChI InChI=1S/C16H22N2.ClH/c17-11-5-7-12(8-6-11)18-16-14-9-10-3-1-2-4-13(10)15(14)16;/h1-4,11-12,14-16,18H,5-9,17H2;1H/t11-,12+,14-,15+,16-;/m0./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.5	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Inhibition of LSD1 in human MV-4-11 cells assessed as increase in CD86 mRNA expression after 10 days by SYBR Green dye-bsed RT-qPCR analysis				Eur J Med Chem 141: 101-112 (2017) Article DOI: 10.1016/j.ejmech.2017.09.073 BindingDB Entry DOI: 10.7270/Q2474DCP
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50545724 (CHEMBL4647030) Show SMILES CC\C(=C/c1ccccc1)[C@@H]1C[C@H]1NC1CC2(CNC2)C1 |r| Show InChI InChI=1S/C19H26N2/c1-2-15(8-14-6-4-3-5-7-14)17-9-18(17)21-16-10-19(11-16)12-20-13-19/h3-8,16-18,20-21H,2,9-13H2,1H3/b15-8+/t17-,18+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	5	n/a	n/a	n/a	n/a
Constellation Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of LSD1 in human MV4-11 cells assessed as induction of LY96 mRNA expression incubated for 16 hrs by chemiluminescent method				ACS Med Chem Lett 11: 1213-1220 (2020) Article DOI: 10.1021/acsmedchemlett.0c00060 BindingDB Entry DOI: 10.7270/Q22N55VZ
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM424915 (US10517849, Compound 11 | US11013718, Compound 11 ...) Show SMILES CC\C(=C/c1ccccc1)[C@@H]1C[C@H]1NC1CC2(C1)CCN(CCO)CC2 |r| Show InChI InChI=1S/C23H34N2O/c1-2-19(14-18-6-4-3-5-7-18)21-15-22(21)24-20-16-23(17-20)8-10-25(11-9-23)12-13-26/h3-7,14,20-22,24,26H,2,8-13,15-17H2,1H3/b19-14+/t21-,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	5	n/a	n/a	n/a	n/a
Constellation Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of LSD1 in human MV4-11 cells assessed as induction of LY96 mRNA expression incubated for 16 hrs by chemiluminescent method				ACS Med Chem Lett 11: 1213-1220 (2020) Article DOI: 10.1021/acsmedchemlett.0c00060 BindingDB Entry DOI: 10.7270/Q22N55VZ
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM283216 (4-[2-(4-amino-piperidin-1-yl)-5- (3-fluoro-4-metho...) Show SMILES COc1ccc(cc1F)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1 Show InChI InChI=1S/C24H23F2N5O2/c1-30-23(32)21(14-5-6-20(33-2)19(26)11-14)22(15-3-4-16(13-27)18(25)12-15)29-24(30)31-9-7-17(28)8-10-31/h3-6,11-12,17H,7-10,28H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	6	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of LSD1 in human NCI-H1417 cells assessed as suppression of GRP mRNA expression incubated for 12 days by qPCR analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00978 BindingDB Entry DOI: 10.7270/Q2RJ4P33
					More data for this Ligand-Target Pair				3D Structure (crystal)
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50545727 (CHEMBL4637906) Show SMILES [H][C@@]1(CC[C@@]([H])(CC1)N[C@@H]1C[C@H]1\C(CC)=C\c1ccccc1)NCCO |r,wU:4.4,9.9,wD:1.0,11.13,(70.57,-28.79,;70.57,-30.33,;70.57,-31.87,;69.24,-32.64,;67.91,-31.87,;67.91,-33.41,;67.91,-30.33,;69.24,-29.56,;66.58,-32.64,;65.24,-31.87,;64.47,-30.54,;63.7,-31.87,;62.37,-32.64,;62.37,-34.18,;63.7,-34.95,;61.03,-31.87,;59.7,-32.64,;58.36,-31.87,;57.04,-32.65,;57.04,-34.18,;58.37,-34.95,;59.7,-34.18,;71.91,-29.56,;73.24,-30.33,;74.57,-29.56,;75.91,-30.33,)| Show InChI InChI=1S/C21H32N2O/c1-2-17(14-16-6-4-3-5-7-16)20-15-21(20)23-19-10-8-18(9-11-19)22-12-13-24/h3-7,14,18-24H,2,8-13,15H2,1H3/b17-14+/t18-,19-,20-,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	6	n/a	n/a	n/a	n/a
Constellation Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of LSD1 in human MV4-11 cells assessed as induction of LY96 mRNA expression incubated for 16 hrs by chemiluminescent method				ACS Med Chem Lett 11: 1213-1220 (2020) Article DOI: 10.1021/acsmedchemlett.0c00060 BindingDB Entry DOI: 10.7270/Q22N55VZ
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50545720 (CHEMBL4636174) Show SMILES CC\C(=C/c1ccccc1)[C@@H]1C[C@H]1NC1CC2(C1)CN(C2)S(C)(=O)=O |r| Show InChI InChI=1S/C20H28N2O2S/c1-3-16(9-15-7-5-4-6-8-15)18-10-19(18)21-17-11-20(12-17)13-22(14-20)25(2,23)24/h4-9,17-19,21H,3,10-14H2,1-2H3/b16-9+/t18-,19+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	6	n/a	n/a	n/a	n/a
Constellation Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of LSD1 in human MV4-11 cells assessed as induction of LY96 mRNA expression incubated for 16 hrs by chemiluminescent method				ACS Med Chem Lett 11: 1213-1220 (2020) Article DOI: 10.1021/acsmedchemlett.0c00060 BindingDB Entry DOI: 10.7270/Q22N55VZ
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50545722 (CHEMBL4649041) Show SMILES CC\C(=C/c1ccccc1)[C@@H]1C[C@H]1NC1CC2(C1)CN(CC(F)F)C2 |r| Show InChI InChI=1S/C21H28F2N2/c1-2-16(8-15-6-4-3-5-7-15)18-9-19(18)24-17-10-21(11-17)13-25(14-21)12-20(22)23/h3-8,17-20,24H,2,9-14H2,1H3/b16-8+/t18-,19+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	7	n/a	n/a	n/a	n/a
Constellation Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of LSD1 in human MV4-11 cells assessed as induction of LY96 mRNA expression incubated for 16 hrs by chemiluminescent method				ACS Med Chem Lett 11: 1213-1220 (2020) Article DOI: 10.1021/acsmedchemlett.0c00060 BindingDB Entry DOI: 10.7270/Q22N55VZ
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50503514 (CHEMBL4522607 | US10626103, Example 55) Show SMILES CN[C@@H]1CCCN(C1)C(=O)c1nc(-c2ccc(C#N)c(F)c2)n(c1C)-c1ccc2nn(C)c(Cl)c2c1 |r| Show InChI InChI=1S/C26H25ClFN7O/c1-15-23(26(36)34-10-4-5-18(14-34)30-2)31-25(16-6-7-17(13-29)21(28)11-16)35(15)19-8-9-22-20(12-19)24(27)33(3)32-22/h6-9,11-12,18,30H,4-5,10,14H2,1-3H3/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	8	n/a	n/a	n/a	n/a
Celgene Corporation Curated by ChEMBL					Assay Description Inhibition of LSD1 in human THP1 cells assessed as induction of CD11b expression after 4 days by LIVE/DEAD violet staining based FACS analysis				Bioorg Med Chem Lett 29: 103-106 (2019) Article DOI: 10.1016/j.bmcl.2018.11.001 BindingDB Entry DOI: 10.7270/Q2W95DFG
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50503507 (CHEMBL4451607 | US10626103, Example 53) Show SMILES Cc1c(nc(-c2ccc(C#N)c(F)c2)n1-c1ccc2nn(C)c(Cl)c2c1)C(=O)N1CCC[C@@H](N)C1 |r| Show InChI InChI=1S/C25H23ClFN7O/c1-14-22(25(35)33-9-3-4-17(29)13-33)30-24(15-5-6-16(12-28)20(27)10-15)34(14)18-7-8-21-19(11-18)23(26)32(2)31-21/h5-8,10-11,17H,3-4,9,13,29H2,1-2H3/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	13	n/a	n/a	n/a	n/a
Celgene Corporation Curated by ChEMBL					Assay Description Inhibition of LSD1 in human THP1 cells assessed as induction of CD11b expression after 4 days by LIVE/DEAD violet staining based FACS analysis				Bioorg Med Chem Lett 29: 103-106 (2019) Article DOI: 10.1016/j.bmcl.2018.11.001 BindingDB Entry DOI: 10.7270/Q2W95DFG
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50545721 (CHEMBL4641803) Show SMILES CC\C(=C/c1ccccc1)[C@@H]1C[C@H]1NC1CC2(C1)CN(C2)C(C)=O |r| Show InChI InChI=1S/C21H28N2O/c1-3-17(9-16-7-5-4-6-8-16)19-10-20(19)22-18-11-21(12-18)13-23(14-21)15(2)24/h4-9,18-20,22H,3,10-14H2,1-2H3/b17-9+/t19-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	14	n/a	n/a	n/a	n/a
Constellation Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of LSD1 in human MV4-11 cells assessed as induction of LY96 mRNA expression incubated for 16 hrs by chemiluminescent method				ACS Med Chem Lett 11: 1213-1220 (2020) Article DOI: 10.1021/acsmedchemlett.0c00060 BindingDB Entry DOI: 10.7270/Q22N55VZ
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50503504 (CHEMBL4444902 | US10626103, Example 54) Show SMILES CN[C@H]1CCN(C1)C(=O)c1nc(-c2ccc(C#N)c(F)c2)n(c1C)-c1ccc2nn(C)c(Cl)c2c1 |r| Show InChI InChI=1S/C25H23ClFN7O/c1-14-22(25(35)33-9-8-17(13-33)29-2)30-24(15-4-5-16(12-28)20(27)10-15)34(14)18-6-7-21-19(11-18)23(26)32(3)31-21/h4-7,10-11,17,29H,8-9,13H2,1-3H3/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	14	n/a	n/a	n/a	n/a
Celgene Corporation Curated by ChEMBL					Assay Description Inhibition of LSD1 in human THP1 cells assessed as induction of CD11b expression after 4 days by LIVE/DEAD violet staining based FACS analysis				Bioorg Med Chem Lett 29: 103-106 (2019) Article DOI: 10.1016/j.bmcl.2018.11.001 BindingDB Entry DOI: 10.7270/Q2W95DFG
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM254603 (US10214477, Example 5 | US9469597, 4 | US9670136, ...) Show SMILES NC1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1 |wU:10.12,wD:8.8,(11.17,-2.23,;9.76,-2.86,;8.52,-1.95,;7.11,-2.58,;6.95,-4.11,;8.19,-5.02,;9.6,-4.39,;5.54,-4.74,;4.21,-3.97,;2.67,-3.97,;3.44,-2.64,;3.44,-1.1,;2.1,-.33,;2.1,1.21,;3.44,1.98,;4.77,1.21,;4.77,-.33,)| Show InChI InChI=1S/C15H22N2/c16-12-6-8-13(9-7-12)17-15-10-14(15)11-4-2-1-3-5-11/h1-5,12-15,17H,6-10,16H2/t12?,13?,14-,15+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>20	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Antagonism of Muscarinic M2 receptors as displacement of concentration response curve of carbachol on isolated guinea-pig left atria				Eur J Med Chem 141: 101-112 (2017) Article DOI: 10.1016/j.ejmech.2017.09.073 BindingDB Entry DOI: 10.7270/Q2474DCP
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50278411 (CHEMBL4170367) Show SMILES Cl.[H][C@]12Cc3ccccc3[C@@]1([H])[C@@]2([H])N[C@H]1CC[C@H](N)CC1 |r,wU:18.20,wD:10.11,2.0,15.16,12.14,(38.29,-9.18,;30.02,-9.7,;28.54,-9.31,;27.64,-10.57,;26.17,-10.09,;24.84,-10.87,;23.5,-10.1,;23.5,-8.55,;24.83,-7.78,;26.17,-8.54,;27.63,-8.06,;27.62,-6.52,;29.16,-7.91,;30.49,-8.67,;30.41,-7,;31.75,-7.74,;31.78,-9.28,;33.11,-10.02,;34.43,-9.23,;35.77,-9.98,;34.4,-7.7,;33.06,-6.95,)| Show InChI InChI=1S/C16H22N2.ClH/c17-11-5-7-12(8-6-11)18-16-14-9-10-3-1-2-4-13(10)15(14)16;/h1-4,11-12,14-16,18H,5-9,17H2;1H/t11-,12-,14-,15+,16-;/m0./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>20	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Inhibition of LSD1 in human MV-4-11 cells assessed as increase in CD86 mRNA expression after 3 days by SYBR Green dye-bsed RT-qPCR analysis				Eur J Med Chem 141: 101-112 (2017) Article DOI: 10.1016/j.ejmech.2017.09.073 BindingDB Entry DOI: 10.7270/Q2474DCP
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50278459 (CHEMBL4176756) Show SMILES Cl.[H][C@]12Cc3ccccc3[C@@]1([H])[C@@]2([H])N[C@@H]1CC[C@H](N)CC1 |r,wD:10.11,2.0,15.16,18.20,12.14,(41.3,-22.41,;36.24,-22.94,;34.76,-22.56,;33.86,-23.81,;32.39,-23.33,;31.06,-24.11,;29.72,-23.34,;29.72,-21.79,;31.05,-21.03,;32.39,-21.79,;33.86,-21.31,;33.84,-19.76,;35.39,-21.15,;36.03,-19.77,;36.92,-21.01,;37.69,-22.33,;39.22,-22.33,;39.99,-23.66,;39.22,-24.99,;39.99,-26.32,;37.69,-24.99,;36.92,-23.67,)| Show InChI InChI=1S/C16H22N2.ClH/c17-11-5-7-12(8-6-11)18-16-14-9-10-3-1-2-4-13(10)15(14)16;/h1-4,11-12,14-16,18H,5-9,17H2;1H/t11-,12+,14-,15+,16-;/m0./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>20	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Antagonism of Muscarinic M2 receptors as displacement of concentration response curve of carbachol on isolated guinea-pig left atria				Eur J Med Chem 141: 101-112 (2017) Article DOI: 10.1016/j.ejmech.2017.09.073 BindingDB Entry DOI: 10.7270/Q2474DCP
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50503500 (CHEMBL4451430 | US10626103, Example 62) Show SMILES COc1ccc(cc1F)-n1c(C)c(nc1-c1ccc(C#N)c(F)c1)C(=O)N[C@@H]1CCCNC1 |r| Show InChI InChI=1S/C24H23F2N5O2/c1-14-22(24(32)29-17-4-3-9-28-13-17)30-23(15-5-6-16(12-27)19(25)10-15)31(14)18-7-8-21(33-2)20(26)11-18/h5-8,10-11,17,28H,3-4,9,13H2,1-2H3,(H,29,32)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	22	n/a	n/a	n/a	n/a
Celgene Corporation Curated by ChEMBL					Assay Description Inhibition of LSD1 in human THP1 cells assessed as induction of CD11b expression after 4 days by LIVE/DEAD violet staining based FACS analysis				Bioorg Med Chem Lett 29: 103-106 (2019) Article DOI: 10.1016/j.bmcl.2018.11.001 BindingDB Entry DOI: 10.7270/Q2W95DFG
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50503516 (CHEMBL4447527 | US10626103, Example 12) Show SMILES COc1ccc(cc1)-n1c(C)c(nc1-c1ccc(C#N)c(F)c1)C(=O)N1CCC[C@@H](N)C1 |r| Show InChI InChI=1S/C24H24FN5O2/c1-15-22(24(31)29-11-3-4-18(27)14-29)28-23(16-5-6-17(13-26)21(25)12-16)30(15)19-7-9-20(32-2)10-8-19/h5-10,12,18H,3-4,11,14,27H2,1-2H3/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	25	n/a	n/a	n/a	n/a
Celgene Corporation Curated by ChEMBL					Assay Description Inhibition of LSD1 in human THP1 cells assessed as induction of CD11b expression after 4 days by LIVE/DEAD violet staining based FACS analysis				Bioorg Med Chem Lett 29: 103-106 (2019) Article DOI: 10.1016/j.bmcl.2018.11.001 BindingDB Entry DOI: 10.7270/Q2W95DFG
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50503503 (CHEMBL4548929 | US10626103, Example 22) Show SMILES Cc1c(nc(-c2ccc(C#N)c(F)c2)n1-c1ccc2nn(C)cc2c1)C(=O)N1CC[C@H](N)C1 |r| Show InChI InChI=1S/C24H22FN7O/c1-14-22(24(33)31-8-7-18(27)13-31)28-23(15-3-4-16(11-26)20(25)10-15)32(14)19-5-6-21-17(9-19)12-30(2)29-21/h3-6,9-10,12,18H,7-8,13,27H2,1-2H3/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	26	n/a	n/a	n/a	n/a
Celgene Corporation Curated by ChEMBL					Assay Description Inhibition of LSD1 in human THP1 cells assessed as induction of CD11b expression after 4 days by LIVE/DEAD violet staining based FACS analysis				Bioorg Med Chem Lett 29: 103-106 (2019) Article DOI: 10.1016/j.bmcl.2018.11.001 BindingDB Entry DOI: 10.7270/Q2W95DFG
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50503493 (CHEMBL4448358 | US10626103, Example 23) Show SMILES Cc1c(nc(-c2ccc(C#N)c(F)c2)n1-c1ccc2n(C)ncc2c1)C(=O)N1CCC[C@@H](N)C1 |r| Show InChI InChI=1S/C25H24FN7O/c1-15-23(25(34)32-9-3-4-19(28)14-32)30-24(16-5-6-17(12-27)21(26)11-16)33(15)20-7-8-22-18(10-20)13-29-31(22)2/h5-8,10-11,13,19H,3-4,9,14,28H2,1-2H3/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	27	n/a	n/a	n/a	n/a
Celgene Corporation Curated by ChEMBL					Assay Description Inhibition of LSD1 in human THP1 cells assessed as induction of CD11b expression after 4 days by LIVE/DEAD violet staining based FACS analysis				Bioorg Med Chem Lett 29: 103-106 (2019) Article DOI: 10.1016/j.bmcl.2018.11.001 BindingDB Entry DOI: 10.7270/Q2W95DFG
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50503499 (CHEMBL4454128 | US10626103, Example 18) Show SMILES COc1ccc(cc1F)-n1c(C)c(nc1-c1ccc(C#N)c(F)c1)C(=O)N1CC[C@H](N)C1 |r| Show InChI InChI=1S/C23H21F2N5O2/c1-13-21(23(31)29-8-7-16(27)12-29)28-22(14-3-4-15(11-26)18(24)9-14)30(13)17-5-6-20(32-2)19(25)10-17/h3-6,9-10,16H,7-8,12,27H2,1-2H3/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	34	n/a	n/a	n/a	n/a
Celgene Corporation Curated by ChEMBL					Assay Description Inhibition of LSD1 in human THP1 cells assessed as induction of CD11b expression after 4 days by LIVE/DEAD violet staining based FACS analysis				Bioorg Med Chem Lett 29: 103-106 (2019) Article DOI: 10.1016/j.bmcl.2018.11.001 BindingDB Entry DOI: 10.7270/Q2W95DFG
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50503495 (CHEMBL4514358 | US10626103, Example 94) Show SMILES CN(C)[C@H]1CCN(C1)C(=O)c1nc(-c2ccc(C#N)c(F)c2)n(c1C)-c1ccc2nn(C)cc2c1 |r| Show InChI InChI=1S/C26H26FN7O/c1-16-24(26(35)33-10-9-21(15-33)31(2)3)29-25(17-5-6-18(13-28)22(27)12-17)34(16)20-7-8-23-19(11-20)14-32(4)30-23/h5-8,11-12,14,21H,9-10,15H2,1-4H3/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	43	n/a	n/a	n/a	n/a
Celgene Corporation Curated by ChEMBL					Assay Description Inhibition of LSD1 in human THP1 cells assessed as induction of CD11b expression after 4 days by LIVE/DEAD violet staining based FACS analysis				Bioorg Med Chem Lett 29: 103-106 (2019) Article DOI: 10.1016/j.bmcl.2018.11.001 BindingDB Entry DOI: 10.7270/Q2W95DFG
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50503506 (CHEMBL4517147 | US10626103, Example 52) Show SMILES CN(C)[C@H]1CCN(C1)C(=O)c1nc(-c2ccc(C#N)c(F)c2)n(c1C)-c1cc(F)c2nn(C)cc2c1 |r| Show InChI InChI=1S/C26H25F2N7O/c1-15-23(26(36)34-8-7-19(14-34)32(2)3)30-25(16-5-6-17(12-29)21(27)10-16)35(15)20-9-18-13-33(4)31-24(18)22(28)11-20/h5-6,9-11,13,19H,7-8,14H2,1-4H3/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	45	n/a	n/a	n/a	n/a
Celgene Corporation Curated by ChEMBL					Assay Description Inhibition of LSD1 in human THP1 cells assessed as induction of CD11b expression after 4 days by LIVE/DEAD violet staining based FACS analysis				Bioorg Med Chem Lett 29: 103-106 (2019) Article DOI: 10.1016/j.bmcl.2018.11.001 BindingDB Entry DOI: 10.7270/Q2W95DFG
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50503512 (CHEMBL4537429 | US10626103, Example 21) Show SMILES Cc1c(nc(-c2ccc(C#N)c(F)c2)n1-c1ccc2nn(C)cc2c1)C(=O)N1CCC[C@@H](N)C1 |r| Show InChI InChI=1S/C25H24FN7O/c1-15-23(25(34)32-9-3-4-19(28)14-32)29-24(16-5-6-17(12-27)21(26)11-16)33(15)20-7-8-22-18(10-20)13-31(2)30-22/h5-8,10-11,13,19H,3-4,9,14,28H2,1-2H3/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	47	n/a	n/a	n/a	n/a
Celgene Corporation Curated by ChEMBL					Assay Description Inhibition of LSD1 in human THP1 cells assessed as induction of CD11b expression after 4 days by LIVE/DEAD violet staining based FACS analysis				Bioorg Med Chem Lett 29: 103-106 (2019) Article DOI: 10.1016/j.bmcl.2018.11.001 BindingDB Entry DOI: 10.7270/Q2W95DFG
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50503513 (CHEMBL4453520 | US10626103, Example 48) Show SMILES CN(C)[C@H]1CCN(C1)C(=O)c1nc(-c2ccc(C#N)c(F)c2)n(c1C)-c1cc2cn(C)nc2cc1F |r,wU:3.2,(71.62,-2.08,;70.3,-2.85,;68.96,-2.09,;70.3,-4.4,;71.64,-5.17,;71.32,-6.67,;69.8,-6.84,;69.16,-5.43,;69.03,-8.17,;69.8,-9.51,;67.49,-8.18,;66.62,-6.9,;65.15,-7.33,;63.81,-6.56,;62.48,-7.34,;61.15,-6.57,;61.14,-5.02,;59.81,-4.26,;58.47,-3.5,;62.48,-4.25,;62.47,-2.71,;63.81,-5.02,;65.1,-8.87,;66.54,-9.39,;66.97,-10.87,;63.77,-9.65,;62.44,-8.88,;61.1,-9.66,;59.63,-9.19,;58.73,-10.44,;57.19,-10.44,;59.64,-11.68,;61.11,-11.2,;62.44,-11.97,;63.78,-11.2,;65.11,-11.96,)| Show InChI InChI=1S/C26H25F2N7O/c1-15-24(26(36)34-8-7-19(14-34)32(2)3)30-25(16-5-6-17(12-29)20(27)9-16)35(15)23-10-18-13-33(4)31-22(18)11-21(23)28/h5-6,9-11,13,19H,7-8,14H2,1-4H3/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	50	n/a	n/a	n/a	n/a
Celgene Corporation Curated by ChEMBL					Assay Description Inhibition of LSD1 in human THP1 cells assessed as induction of CD11b expression after 4 days by LIVE/DEAD violet staining based FACS analysis				Bioorg Med Chem Lett 29: 103-106 (2019) Article DOI: 10.1016/j.bmcl.2018.11.001 BindingDB Entry DOI: 10.7270/Q2W95DFG
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50545729 (CHEMBL4646795) Show SMILES [H][C@@]1(CC[C@@]([H])(CC1)N[C@@H]1C[C@H]1\C(C)=C\c1ccccc1)NCCO |r,wU:4.4,9.9,wD:1.0,11.13,(68.49,-7.91,;68.49,-9.45,;68.49,-11,;67.16,-11.76,;65.83,-11,;65.83,-12.54,;65.83,-9.45,;67.16,-8.68,;64.5,-11.76,;63.16,-11,;62.39,-9.66,;61.62,-11,;60.29,-11.76,;60.29,-13.3,;58.95,-11,;57.62,-11.76,;56.28,-10.99,;54.96,-11.77,;54.96,-13.3,;56.3,-14.07,;57.62,-13.3,;69.83,-8.68,;71.16,-9.45,;72.5,-8.68,;73.83,-9.45,)| Show InChI InChI=1S/C20H30N2O/c1-15(13-16-5-3-2-4-6-16)19-14-20(19)22-18-9-7-17(8-10-18)21-11-12-23/h2-6,13,17-23H,7-12,14H2,1H3/b15-13+/t17-,18-,19-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	52	n/a	n/a	n/a	n/a
Constellation Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of LSD1 in human MV4-11 cells assessed as induction of LY96 mRNA expression incubated for 16 hrs by chemiluminescent method				ACS Med Chem Lett 11: 1213-1220 (2020) Article DOI: 10.1021/acsmedchemlett.0c00060 BindingDB Entry DOI: 10.7270/Q22N55VZ
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50158869 (CHEMBL3786182 | US10836743, Compound GSK-2879552 |...) Show SMILES OC(=O)c1ccc(CN2CCC(CN[C@@H]3C[C@H]3c3ccccc3)CC2)cc1 |r| Show InChI InChI=1S/C23H28N2O2/c26-23(27)20-8-6-18(7-9-20)16-25-12-10-17(11-13-25)15-24-22-14-21(22)19-4-2-1-3-5-19/h1-9,17,21-22,24H,10-16H2,(H,26,27)/t21-,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	54	n/a	n/a	n/a	n/a
Constellation Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of LSD1 in human MV4-11 cells assessed as induction of LY96 mRNA expression incubated for 16 hrs by chemiluminescent method				ACS Med Chem Lett 11: 1213-1220 (2020) Article DOI: 10.1021/acsmedchemlett.0c00060 BindingDB Entry DOI: 10.7270/Q22N55VZ
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50503508 (CHEMBL4569059 | US10626103, Example 11) Show SMILES Cc1c(nc(-c2ccc(cc2)C#N)n1-c1ccc(C)cc1)C(=O)N1CCC[C@@H](N)C1 |r| Show InChI InChI=1S/C24H25N5O/c1-16-5-11-21(12-6-16)29-17(2)22(24(30)28-13-3-4-20(26)15-28)27-23(29)19-9-7-18(14-25)8-10-19/h5-12,20H,3-4,13,15,26H2,1-2H3/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	59	n/a	n/a	n/a	n/a
Celgene Corporation Curated by ChEMBL					Assay Description Inhibition of LSD1 in human THP1 cells assessed as induction of CD11b expression after 4 days by LIVE/DEAD violet staining based FACS analysis				Bioorg Med Chem Lett 29: 103-106 (2019) Article DOI: 10.1016/j.bmcl.2018.11.001 BindingDB Entry DOI: 10.7270/Q2W95DFG
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50503510 (CHEMBL4465367 | US10626103, Example 63) Show SMILES COc1ccc(cc1F)-n1c(C)c(nc1-c1ccc(C#N)c(F)c1)C(=O)N[C@H]1CCCNC1 |r| Show InChI InChI=1S/C24H23F2N5O2/c1-14-22(24(32)29-17-4-3-9-28-13-17)30-23(15-5-6-16(12-27)19(25)10-15)31(14)18-7-8-21(33-2)20(26)11-18/h5-8,10-11,17,28H,3-4,9,13H2,1-2H3,(H,29,32)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	59	n/a	n/a	n/a	n/a
Celgene Corporation Curated by ChEMBL					Assay Description Inhibition of LSD1 in human THP1 cells assessed as induction of CD11b expression after 4 days by LIVE/DEAD violet staining based FACS analysis				Bioorg Med Chem Lett 29: 103-106 (2019) Article DOI: 10.1016/j.bmcl.2018.11.001 BindingDB Entry DOI: 10.7270/Q2W95DFG
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50262048 (CHEMBL3134377) Show SMILES Cc1ccc(cc1)-c1ncc(OC[C@@H]2CCNC2)cc1-c1ccc(cc1)C#N |r| Show InChI InChI=1S/C24H23N3O/c1-17-2-6-21(7-3-17)24-23(20-8-4-18(13-25)5-9-20)12-22(15-27-24)28-16-19-10-11-26-14-19/h2-9,12,15,19,26H,10-11,14,16H2,1H3/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	62	n/a	n/a	n/a	n/a
Celgene Corporation Curated by ChEMBL					Assay Description Inhibition of LSD1 in human THP1 cells assessed as induction of CD11b expression after 4 days by LIVE/DEAD violet staining based FACS analysis				Bioorg Med Chem Lett 29: 103-106 (2019) Article DOI: 10.1016/j.bmcl.2018.11.001 BindingDB Entry DOI: 10.7270/Q2W95DFG
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50503509 (CHEMBL4440004 | US10626103, Example 16) Show SMILES COc1ccc(cc1F)-n1c(C)c(nc1-c1ccc(C#N)c(F)c1)C(=O)N1CCC[C@@H](N)C1 |r| Show InChI InChI=1S/C24H23F2N5O2/c1-14-22(24(32)30-9-3-4-17(28)13-30)29-23(15-5-6-16(12-27)19(25)10-15)31(14)18-7-8-21(33-2)20(26)11-18/h5-8,10-11,17H,3-4,9,13,28H2,1-2H3/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	66	n/a	n/a	n/a	n/a
Celgene Corporation Curated by ChEMBL					Assay Description Inhibition of LSD1 in human THP1 cells assessed as induction of CD11b expression after 4 days by LIVE/DEAD violet staining based FACS analysis				Bioorg Med Chem Lett 29: 103-106 (2019) Article DOI: 10.1016/j.bmcl.2018.11.001 BindingDB Entry DOI: 10.7270/Q2W95DFG
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50503505 (CHEMBL4516248 | US10626103, Example 49) Show SMILES CN[C@H]1CCN(C1)C(=O)c1nc(-c2ccc(C#N)c(F)c2)n(c1C)-c1cc2cn(C)nc2cc1F |r,wU:2.1,(54.64,-1.99,;53.31,-2.77,;53.32,-4.31,;54.65,-5.08,;54.33,-6.59,;52.81,-6.75,;52.17,-5.35,;52.04,-8.09,;52.81,-9.42,;50.5,-8.09,;49.63,-6.81,;48.16,-7.25,;46.82,-6.48,;45.49,-7.25,;44.16,-6.49,;44.15,-4.94,;42.82,-4.18,;41.48,-3.41,;45.49,-4.16,;45.49,-2.62,;46.82,-4.93,;48.11,-8.79,;49.56,-9.31,;49.99,-10.78,;46.78,-9.56,;45.45,-8.8,;44.11,-9.57,;42.65,-9.1,;41.75,-10.35,;40.21,-10.36,;42.66,-11.59,;44.12,-11.11,;45.45,-11.88,;46.79,-11.11,;48.12,-11.88,)| Show InChI InChI=1S/C25H23F2N7O/c1-14-23(25(35)33-7-6-18(13-33)29-2)30-24(15-4-5-16(11-28)19(26)8-15)34(14)22-9-17-12-32(3)31-21(17)10-20(22)27/h4-5,8-10,12,18,29H,6-7,13H2,1-3H3/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	68	n/a	n/a	n/a	n/a
Celgene Corporation Curated by ChEMBL					Assay Description Inhibition of LSD1 in human THP1 cells assessed as induction of CD11b expression after 4 days by LIVE/DEAD violet staining based FACS analysis				Bioorg Med Chem Lett 29: 103-106 (2019) Article DOI: 10.1016/j.bmcl.2018.11.001 BindingDB Entry DOI: 10.7270/Q2W95DFG
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50503498 (CHEMBL4440870 | US10626103, Example 17) Show SMILES COc1ccc(cc1F)-n1c(C)c(nc1-c1ccc(C#N)c(F)c1)C(=O)N1CCC[C@H](N)C1 |r| Show InChI InChI=1S/C24H23F2N5O2/c1-14-22(24(32)30-9-3-4-17(28)13-30)29-23(15-5-6-16(12-27)19(25)10-15)31(14)18-7-8-21(33-2)20(26)11-18/h5-8,10-11,17H,3-4,9,13,28H2,1-2H3/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	92	n/a	n/a	n/a	n/a
Celgene Corporation Curated by ChEMBL					Assay Description Inhibition of LSD1 in human THP1 cells assessed as induction of CD11b expression after 4 days by LIVE/DEAD violet staining based FACS analysis				Bioorg Med Chem Lett 29: 103-106 (2019) Article DOI: 10.1016/j.bmcl.2018.11.001 BindingDB Entry DOI: 10.7270/Q2W95DFG
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50503502 (CHEMBL4437380 | US10626103, Example 88) Show SMILES COc1ccc(cc1F)-n1c(C)c(nc1-c1ccc(C#N)c(F)c1)C(=O)N1CC(CN)C1 Show InChI InChI=1S/C23H21F2N5O2/c1-13-21(23(31)29-11-14(9-26)12-29)28-22(15-3-4-16(10-27)18(24)7-15)30(13)17-5-6-20(32-2)19(25)8-17/h3-8,14H,9,11-12,26H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a
Celgene Corporation Curated by ChEMBL					Assay Description Inhibition of LSD1 in human THP1 cells assessed as induction of CD11b expression after 4 days by LIVE/DEAD violet staining based FACS analysis				Bioorg Med Chem Lett 29: 103-106 (2019) Article DOI: 10.1016/j.bmcl.2018.11.001 BindingDB Entry DOI: 10.7270/Q2W95DFG
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50503497 (CHEMBL4530322 | US10626103, Example 78) Show SMILES Cc1c(nc(-c2ccc(C#N)c(F)c2)n1-c1ccc(nc1)C1CC1)C(=O)N1CCC[C@@H](N)C1 |r| Show InChI InChI=1S/C25H25FN6O/c1-15-23(25(33)31-10-2-3-19(28)14-31)30-24(17-6-7-18(12-27)21(26)11-17)32(15)20-8-9-22(29-13-20)16-4-5-16/h6-9,11,13,16,19H,2-5,10,14,28H2,1H3/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	110	n/a	n/a	n/a	n/a
Celgene Corporation Curated by ChEMBL					Assay Description Inhibition of LSD1 in human THP1 cells assessed as induction of CD11b expression after 4 days by LIVE/DEAD violet staining based FACS analysis				Bioorg Med Chem Lett 29: 103-106 (2019) Article DOI: 10.1016/j.bmcl.2018.11.001 BindingDB Entry DOI: 10.7270/Q2W95DFG
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50503501 (CHEMBL4581929 | US10626103, Example 87) Show SMILES COc1ccc(cc1F)-n1c(C)c(nc1-c1ccc(C#N)c(F)c1)C(=O)NC1CCNCC1 Show InChI InChI=1S/C24H23F2N5O2/c1-14-22(24(32)29-17-7-9-28-10-8-17)30-23(15-3-4-16(13-27)19(25)11-15)31(14)18-5-6-21(33-2)20(26)12-18/h3-6,11-12,17,28H,7-10H2,1-2H3,(H,29,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	110	n/a	n/a	n/a	n/a
Celgene Corporation Curated by ChEMBL					Assay Description Inhibition of LSD1 in human THP1 cells assessed as induction of CD11b expression after 4 days by LIVE/DEAD violet staining based FACS analysis				Bioorg Med Chem Lett 29: 103-106 (2019) Article DOI: 10.1016/j.bmcl.2018.11.001 BindingDB Entry DOI: 10.7270/Q2W95DFG
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50503494 (CHEMBL4437892) Show SMILES COc1ccc(cc1F)-n1c(C)c(nc1-c1ccc(C#N)c(F)c1)C(=O)N1CC[C@@H](N)C1 |r| Show InChI InChI=1S/C23H21F2N5O2/c1-13-21(23(31)29-8-7-16(27)12-29)28-22(14-3-4-15(11-26)18(24)9-14)30(13)17-5-6-20(32-2)19(25)10-17/h3-6,9-10,16H,7-8,12,27H2,1-2H3/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	140	n/a	n/a	n/a	n/a
Celgene Corporation Curated by ChEMBL					Assay Description Inhibition of LSD1 in human THP1 cells assessed as induction of CD11b expression after 4 days by LIVE/DEAD violet staining based FACS analysis				Bioorg Med Chem Lett 29: 103-106 (2019) Article DOI: 10.1016/j.bmcl.2018.11.001 BindingDB Entry DOI: 10.7270/Q2W95DFG
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50503511 (CHEMBL4591673 | US10626103, Example 82) Show SMILES COc1ccc(cc1F)-n1c(C)c(nc1-c1ccc(C#N)c(F)c1)C(=O)N[C@@H]1CCNC1 |r| Show InChI InChI=1S/C23H21F2N5O2/c1-13-21(23(31)28-16-7-8-27-12-16)29-22(14-3-4-15(11-26)18(24)9-14)30(13)17-5-6-20(32-2)19(25)10-17/h3-6,9-10,16,27H,7-8,12H2,1-2H3,(H,28,31)/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	140	n/a	n/a	n/a	n/a
Celgene Corporation Curated by ChEMBL					Assay Description Inhibition of LSD1 in human THP1 cells assessed as induction of CD11b expression after 4 days by LIVE/DEAD violet staining based FACS analysis				Bioorg Med Chem Lett 29: 103-106 (2019) Article DOI: 10.1016/j.bmcl.2018.11.001 BindingDB Entry DOI: 10.7270/Q2W95DFG
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50503496 (CHEMBL4527219 | US10626103, Example 15) Show SMILES COc1ccc(cn1)-n1c(C)c(nc1-c1ccc(C#N)c(F)c1)C(=O)N1CCC[C@@H](N)C1 |r| Show InChI InChI=1S/C23H23FN6O2/c1-14-21(23(31)29-9-3-4-17(26)13-29)28-22(15-5-6-16(11-25)19(24)10-15)30(14)18-7-8-20(32-2)27-12-18/h5-8,10,12,17H,3-4,9,13,26H2,1-2H3/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	150	n/a	n/a	n/a	n/a
Celgene Corporation Curated by ChEMBL					Assay Description Inhibition of LSD1 in human THP1 cells assessed as induction of CD11b expression after 4 days by LIVE/DEAD violet staining based FACS analysis				Bioorg Med Chem Lett 29: 103-106 (2019) Article DOI: 10.1016/j.bmcl.2018.11.001 BindingDB Entry DOI: 10.7270/Q2W95DFG
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50503515 (CHEMBL4560537 | US10626103, Example 83) Show SMILES COc1ccc(cc1F)-n1c(C)c(nc1-c1ccc(C#N)c(F)c1)C(=O)N[C@H]1CCNC1 |r| Show InChI InChI=1S/C23H21F2N5O2/c1-13-21(23(31)28-16-7-8-27-12-16)29-22(14-3-4-15(11-26)18(24)9-14)30(13)17-5-6-20(32-2)19(25)10-17/h3-6,9-10,16,27H,7-8,12H2,1-2H3,(H,28,31)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	160	n/a	n/a	n/a	n/a
Celgene Corporation Curated by ChEMBL					Assay Description Inhibition of LSD1 in human THP1 cells assessed as induction of CD11b expression after 4 days by LIVE/DEAD violet staining based FACS analysis				Bioorg Med Chem Lett 29: 103-106 (2019) Article DOI: 10.1016/j.bmcl.2018.11.001 BindingDB Entry DOI: 10.7270/Q2W95DFG
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50545730 (CHEMBL4645912) Show SMILES C\C(=C/c1ccccc1)[C@@H]1C[C@H]1NC1CCNC(=O)C1 |r| Show InChI InChI=1S/C17H22N2O/c1-12(9-13-5-3-2-4-6-13)15-11-16(15)19-14-7-8-18-17(20)10-14/h2-6,9,14-16,19H,7-8,10-11H2,1H3,(H,18,20)/b12-9+/t14?,15-,16+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	173	n/a	n/a	n/a	n/a
Constellation Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of LSD1 in human MV4-11 cells assessed as induction of LY96 mRNA expression incubated for 16 hrs by chemiluminescent method				ACS Med Chem Lett 11: 1213-1220 (2020) Article DOI: 10.1021/acsmedchemlett.0c00060 BindingDB Entry DOI: 10.7270/Q22N55VZ
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50241539 (CHEMBL4084845) Show SMILES Cc1ccc(cc1)-c1ncc(OC[C@H]2CCNC2)cc1-c1ccc(cc1)C#N |r| Show InChI InChI=1S/C24H23N3O/c1-17-2-6-21(7-3-17)24-23(20-8-4-18(13-25)5-9-20)12-22(15-27-24)28-16-19-10-11-26-14-19/h2-9,12,15,19,26H,10-11,14,16H2,1H3/t19-/m0/s1	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	n/a	n/a	300	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of LSD1 in human THP1 cells assessed as induction of CD86 expression after 48 hrs by flow cytometric analysis				J Med Chem 60: 7984-7999 (2017) Article DOI: 10.1021/acs.jmedchem.7b00462 BindingDB Entry DOI: 10.7270/Q2M32XX8
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50545734 (CHEMBL4647263) Show SMILES C\C(=C/c1ccccc1)[C@@H]1C[C@H]1NC1CNC1 |r| Show InChI InChI=1S/C15H20N2/c1-11(7-12-5-3-2-4-6-12)14-8-15(14)17-13-9-16-10-13/h2-7,13-17H,8-10H2,1H3/b11-7+/t14-,15+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	312	n/a	n/a	n/a	n/a
Constellation Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of LSD1 in human MV4-11 cells assessed as induction of LY96 mRNA expression incubated for 16 hrs by chemiluminescent method				ACS Med Chem Lett 11: 1213-1220 (2020) Article DOI: 10.1021/acsmedchemlett.0c00060 BindingDB Entry DOI: 10.7270/Q22N55VZ
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50545731 (CHEMBL4644039) Show SMILES [H][C@]1(O)CC[C@@]([H])(CC1)N[C@@H]1C[C@H]1\C(C)=C\c1ccccc1 |r,wU:5.5,10.10,wD:1.0,12.14,(43.31,-17.29,;43.31,-18.83,;44.64,-18.05,;43.31,-20.37,;41.98,-21.13,;40.64,-20.37,;40.64,-21.91,;40.64,-18.83,;41.98,-18.05,;39.31,-21.13,;37.98,-20.37,;37.21,-19.03,;36.44,-20.37,;35.11,-21.13,;35.11,-22.67,;33.77,-20.37,;32.44,-21.13,;31.1,-20.36,;29.77,-21.14,;29.77,-22.67,;31.11,-23.44,;32.44,-22.67,)| Show InChI InChI=1S/C18H25NO/c1-13(11-14-5-3-2-4-6-14)17-12-18(17)19-15-7-9-16(20)10-8-15/h2-6,11,15-20H,7-10,12H2,1H3/b13-11+/t15-,16-,17-,18+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	327	n/a	n/a	n/a	n/a
Constellation Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of LSD1 in human MV4-11 cells assessed as induction of LY96 mRNA expression incubated for 16 hrs by chemiluminescent method				ACS Med Chem Lett 11: 1213-1220 (2020) Article DOI: 10.1021/acsmedchemlett.0c00060 BindingDB Entry DOI: 10.7270/Q22N55VZ
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50545732 (CHEMBL4638408) Show SMILES C\C(=C/c1ccccc1)[C@@H]1C[C@H]1NCc1cnc[nH]1 |r| Show InChI InChI=1S/C16H19N3/c1-12(7-13-5-3-2-4-6-13)15-8-16(15)18-10-14-9-17-11-19-14/h2-7,9,11,15-16,18H,8,10H2,1H3,(H,17,19)/b12-7+/t15-,16+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	362	n/a	n/a	n/a	n/a
Constellation Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of LSD1 in human MV4-11 cells assessed as induction of LY96 mRNA expression incubated for 16 hrs by chemiluminescent method				ACS Med Chem Lett 11: 1213-1220 (2020) Article DOI: 10.1021/acsmedchemlett.0c00060 BindingDB Entry DOI: 10.7270/Q22N55VZ
					More data for this Ligand-Target Pair

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