Compile Data Set for Download or QSAR

Found 21 hits Enz. Inhib. hit(s) with all data for entry = 50013773   

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))	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	0.140	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of LSD1 (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127993 BindingDB Entry DOI: 10.7270/Q2RB78CS
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM15581 (CHEMBL8706 | CLG | CLORGILINE | Clorgyline | N-[3-...) Show SMILES CN(CCCOc1ccc(Cl)cc1Cl)CC#C Show InChI InChI=1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of MAO-A (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127993 BindingDB Entry DOI: 10.7270/Q2RB78CS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50569501 (CHEMBL4857832) Show SMILES COc1ccc(OC)c(c1)-n1cc(CN[C@@H]2C[C@H]2c2ccc(F)c(F)c2)nn1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of LSD1 (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127993 BindingDB Entry DOI: 10.7270/Q2RB78CS
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50569495 (CHEMBL4860694) Show SMILES COc1ccc(cc1)-n1cc(CN[C@@H]2C[C@H]2c2ccc(F)c(F)c2)nn1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of LSD1 (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127993 BindingDB Entry DOI: 10.7270/Q2RB78CS
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50569491 (CHEMBL4870850) Show SMILES COc1ccccc1-n1cc(CN[C@@H]2C[C@H]2c2ccc(F)c(F)c2)nn1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of LSD1 (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127993 BindingDB Entry DOI: 10.7270/Q2RB78CS
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50569489 (CHEMBL4851999) Show SMILES Fc1ccc(cc1F)[C@@H]1C[C@H]1NCc1cn(nn1)-c1ccccc1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of LSD1 (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127993 BindingDB Entry DOI: 10.7270/Q2RB78CS
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50569499 (CHEMBL4855257) Show SMILES Fc1ccc(cc1F)[C@@H]1C[C@H]1NCc1cn(nn1)-c1ccc(cc1)C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of LSD1 (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127993 BindingDB Entry DOI: 10.7270/Q2RB78CS
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50569500 (CHEMBL4871555) Show SMILES COc1ccc(OC)c(c1)-n1cc(CN[C@@H]2C[C@H]2c2ccccc2)nn1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of LSD1 (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127993 BindingDB Entry DOI: 10.7270/Q2RB78CS
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50569494 (CHEMBL4853386) Show SMILES COc1ccc(cc1)-n1cc(CN[C@@H]2C[C@H]2c2ccccc2)nn1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of LSD1 (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127993 BindingDB Entry DOI: 10.7270/Q2RB78CS
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50569493 (CHEMBL4855751) Show SMILES COc1cccc(c1)-n1cc(CN[C@@H]2C[C@H]2c2ccc(F)c(F)c2)nn1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of LSD1 (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127993 BindingDB Entry DOI: 10.7270/Q2RB78CS
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50569503 (CHEMBL4872523) Show SMILES COc1cc(OC)cc(c1)-n1cc(CN[C@@H]2C[C@H]2c2ccc(F)c(F)c2)nn1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of LSD1 (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127993 BindingDB Entry DOI: 10.7270/Q2RB78CS
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM15579 (CHEMBL972 | DEPRENYL | L-Deprenyl | N-methyl-N-[(2...) Show SMILES C[C@H](Cc1ccccc1)N(C)CC#C |r| Show InChI InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of MAO-B (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127993 BindingDB Entry DOI: 10.7270/Q2RB78CS
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50569497 (CHEMBL4848412) Show SMILES Fc1ccc(cc1F)[C@@H]1C[C@H]1NCc1cn(nn1)-c1cccc(c1)C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	101	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of LSD1 (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127993 BindingDB Entry DOI: 10.7270/Q2RB78CS
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50569492 (CHEMBL4873063) Show SMILES COc1cccc(c1)-n1cc(CN[C@@H]2C[C@H]2c2ccccc2)nn1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	106	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of LSD1 (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127993 BindingDB Entry DOI: 10.7270/Q2RB78CS
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50569496 (CHEMBL4863954) Show SMILES FC(F)(F)c1cccc(c1)-n1cc(CN[C@@H]2C[C@H]2c2ccccc2)nn1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of LSD1 (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127993 BindingDB Entry DOI: 10.7270/Q2RB78CS
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50569502 (CHEMBL4877309) Show SMILES COc1cc(OC)cc(c1)-n1cc(CN[C@@H]2C[C@H]2c2ccccc2)nn1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of LSD1 (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127993 BindingDB Entry DOI: 10.7270/Q2RB78CS
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50569488 (CHEMBL4865242) Show SMILES C(N[C@@H]1C[C@H]1c1ccccc1)c1cn(nn1)-c1ccccc1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	111	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of LSD1 (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127993 BindingDB Entry DOI: 10.7270/Q2RB78CS
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50569490 (CHEMBL4873001) Show SMILES COc1ccccc1-n1cc(CN[C@@H]2C[C@H]2c2ccccc2)nn1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of LSD1 (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127993 BindingDB Entry DOI: 10.7270/Q2RB78CS
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50569498 (CHEMBL4850149) Show SMILES FC(F)(F)c1ccc(cc1)-n1cc(CN[C@@H]2C[C@H]2c2ccccc2)nn1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	132	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of LSD1 (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127993 BindingDB Entry DOI: 10.7270/Q2RB78CS
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50569504 (CHEMBL4867118) Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)-n1cc(CN[C@@H]2C[C@H]2c2ccccc2)nn1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	282	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of LSD1 (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127993 BindingDB Entry DOI: 10.7270/Q2RB78CS
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50569505 (CHEMBL4875756) Show SMILES Fc1ccc(cc1F)[C@@H]1C[C@H]1NCc1cn(nn1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	664	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of LSD1 (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127993 BindingDB Entry DOI: 10.7270/Q2RB78CS
					More data for this Ligand-Target Pair