Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Lysine-specific histone demethylase 1A' and Ligand = 'BDBM254549'   

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))	BDBM254549 (US10214477, Example 8 | US9469597, 8 | US9670136, ...) Show SMILES NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(c1)C(F)(F)F |r,wU:10.12,wD:8.8,(8.17,4.84,;6.83,4.07,;6.83,2.53,;5.5,1.76,;4.17,2.53,;4.17,4.07,;5.5,4.84,;2.83,1.76,;1.5,2.53,;.73,3.87,;-.04,2.53,;-1.37,1.76,;-2.71,2.53,;-4.04,1.76,;-4.04,.22,;-2.71,-.55,;-1.37,.22,;-5.37,-.55,;-6.71,.22,;-8.04,-.55,;-8.04,-2.09,;-6.75,-2.94,;-5.37,-2.09,;-6.77,-4.48,;-6.79,-6.02,;-8.31,-4.46,;-5.23,-4.51,)| Show InChI InChI=1S/C21H24F3N3/c22-21(23,24)15-3-1-2-13(10-15)19-9-4-14(12-26-19)18-11-20(18)27-17-7-5-16(25)6-8-17/h1-4,9-10,12,16-18,20,27H,5-8,11,25H2/t16?,17?,18-,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Oryzon Genomics S.A. US Patent					Assay Description Briefly, a fixed amount of LSD1 was incubated on ice for 15 minutes, in the absence and/or in the presence of at least eight 3-fold serial dilutions ...				US Patent US10214477 (2019) BindingDB Entry DOI: 10.7270/Q2ZS2ZTB
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM254549 (US10214477, Example 8 | US9469597, 8 | US9670136, ...) Show SMILES NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(c1)C(F)(F)F |r,wU:10.12,wD:8.8,(8.17,4.84,;6.83,4.07,;6.83,2.53,;5.5,1.76,;4.17,2.53,;4.17,4.07,;5.5,4.84,;2.83,1.76,;1.5,2.53,;.73,3.87,;-.04,2.53,;-1.37,1.76,;-2.71,2.53,;-4.04,1.76,;-4.04,.22,;-2.71,-.55,;-1.37,.22,;-5.37,-.55,;-6.71,.22,;-8.04,-.55,;-8.04,-2.09,;-6.75,-2.94,;-5.37,-2.09,;-6.77,-4.48,;-6.79,-6.02,;-8.31,-4.46,;-5.23,-4.51,)| Show InChI InChI=1S/C21H24F3N3/c22-21(23,24)15-3-1-2-13(10-15)19-9-4-14(12-26-19)18-11-20(18)27-17-7-5-16(25)6-8-17/h1-4,9-10,12,16-18,20,27H,5-8,11,25H2/t16?,17?,18-,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	550	-35.7	n/a	n/a	n/a	n/a	n/a	7.4	25
ORYZON GENOMICS S.A. US Patent					Assay Description Briefly, a fixed amount of LSD1 was incubated on ice for 15 minutes, in the absence and/or in the presence of at least eight 3-fold serial dilutions ...				US Patent US9670136 (2017) BindingDB Entry DOI: 10.7270/Q2PN93SB
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM254549 (US10214477, Example 8 | US9469597, 8 | US9670136, ...) Show SMILES NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(c1)C(F)(F)F |r,wU:10.12,wD:8.8,(8.17,4.84,;6.83,4.07,;6.83,2.53,;5.5,1.76,;4.17,2.53,;4.17,4.07,;5.5,4.84,;2.83,1.76,;1.5,2.53,;.73,3.87,;-.04,2.53,;-1.37,1.76,;-2.71,2.53,;-4.04,1.76,;-4.04,.22,;-2.71,-.55,;-1.37,.22,;-5.37,-.55,;-6.71,.22,;-8.04,-.55,;-8.04,-2.09,;-6.75,-2.94,;-5.37,-2.09,;-6.77,-4.48,;-6.79,-6.02,;-8.31,-4.46,;-5.23,-4.51,)| Show InChI InChI=1S/C21H24F3N3/c22-21(23,24)15-3-1-2-13(10-15)19-9-4-14(12-26-19)18-11-20(18)27-17-7-5-16(25)6-8-17/h1-4,9-10,12,16-18,20,27H,5-8,11,25H2/t16?,17?,18-,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	118	n/a	n/a	n/a	n/a	n/a	n/a
Oryzon Genomics S.A. US Patent					Assay Description Briefly, a fixed amount of LSD1 was incubated on ice for 15 minutes, in the absence and/or in the presence of at least eight 3-fold serial dilutions ...				US Patent US10214477 (2019) BindingDB Entry DOI: 10.7270/Q2ZS2ZTB
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM254549 (US10214477, Example 8 | US9469597, 8 | US9670136, ...) Show SMILES NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(c1)C(F)(F)F |r,wU:10.12,wD:8.8,(8.17,4.84,;6.83,4.07,;6.83,2.53,;5.5,1.76,;4.17,2.53,;4.17,4.07,;5.5,4.84,;2.83,1.76,;1.5,2.53,;.73,3.87,;-.04,2.53,;-1.37,1.76,;-2.71,2.53,;-4.04,1.76,;-4.04,.22,;-2.71,-.55,;-1.37,.22,;-5.37,-.55,;-6.71,.22,;-8.04,-.55,;-8.04,-2.09,;-6.75,-2.94,;-5.37,-2.09,;-6.77,-4.48,;-6.79,-6.02,;-8.31,-4.46,;-5.23,-4.51,)| Show InChI InChI=1S/C21H24F3N3/c22-21(23,24)15-3-1-2-13(10-15)19-9-4-14(12-26-19)18-11-20(18)27-17-7-5-16(25)6-8-17/h1-4,9-10,12,16-18,20,27H,5-8,11,25H2/t16?,17?,18-,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	118	n/a	n/a	n/a	n/a	7.4	25
ORYZON GENOMICS S.A. US Patent					Assay Description Briefly, a fixed amount of LSD1 was incubated on ice for 15 minutes, in the absence and/or in the presence of at least eight 3-fold serial dilutions ...				US Patent US9670136 (2017) BindingDB Entry DOI: 10.7270/Q2PN93SB
					More data for this Ligand-Target Pair