Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Lysine-specific histone demethylase 1A' and Ligand = 'BDBM50210050'   

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))	BDBM50210050 (CHEMBL3884529) Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C(=O)OCCCCCCOC(=O)NCCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC1=O)C(C)C)C(=O)N1CCC[C@H]1C(N)=O |r| Show InChI InChI=1S/C59H97N17O14/c1-35(2)32-41-51(82)74-46(36(3)4)54(85)69-39(22-15-27-66-57(63)64)48(79)70-40(55(86)75-28-16-23-44(75)47(60)78)20-10-11-25-67-58(87)89-30-12-5-6-13-31-90-59(88)76-29-17-24-45(76)53(84)68-38(21-14-26-65-56(61)62)49(80)73-43(34-77)52(83)72-42(50(81)71-41)33-37-18-8-7-9-19-37/h7-9,18-19,35-36,38-46,77H,5-6,10-17,20-34H2,1-4H3,(H2,60,78)(H,67,87)(H,68,84)(H,69,85)(H,70,79)(H,71,81)(H,72,83)(H,73,80)(H,74,82)(H4,61,62,65)(H4,63,64,66)/t38-,39-,40-,41-,42-,43-,44-,45-,46-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nagoya City University Curated by ChEMBL					Assay Description Inhibition of human LSD1 assessed as reduction in H2O2 production using H3K4me2 (1 to 20 residues) peptide as substrate preincubated for 10 mins foll...				Bioorg Med Chem 25: 1227-1234 (2017) Article DOI: 10.1016/j.bmc.2016.12.033 BindingDB Entry DOI: 10.7270/Q2X92D9V
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50210050 (CHEMBL3884529) Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C(=O)OCCCCCCOC(=O)NCCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC1=O)C(C)C)C(=O)N1CCC[C@H]1C(N)=O |r| Show InChI InChI=1S/C59H97N17O14/c1-35(2)32-41-51(82)74-46(36(3)4)54(85)69-39(22-15-27-66-57(63)64)48(79)70-40(55(86)75-28-16-23-44(75)47(60)78)20-10-11-25-67-58(87)89-30-12-5-6-13-31-90-59(88)76-29-17-24-45(76)53(84)68-38(21-14-26-65-56(61)62)49(80)73-43(34-77)52(83)72-42(50(81)71-41)33-37-18-8-7-9-19-37/h7-9,18-19,35-36,38-46,77H,5-6,10-17,20-34H2,1-4H3,(H2,60,78)(H,67,87)(H,68,84)(H,69,85)(H,70,79)(H,71,81)(H,72,83)(H,73,80)(H,74,82)(H4,61,62,65)(H4,63,64,66)/t38-,39-,40-,41-,42-,43-,44-,45-,46-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nagoya City University Curated by ChEMBL					Assay Description Inhibition of human LSD1 assessed as reduction in H2O2 production using H3K4me2 (1 to 20 residues) peptide as substrate preincubated for 10 mins foll...				Bioorg Med Chem 25: 1227-1234 (2017) Article DOI: 10.1016/j.bmc.2016.12.033 BindingDB Entry DOI: 10.7270/Q2X92D9V
					More data for this Ligand-Target Pair