Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Lysine-specific histone demethylase 1A' and Ligand = 'BDBM270443'   

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))	BDBM270443 (US10059668, Example 6) Show SMILES O=C(NOCc1ccccc1)\C=C\c1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1 |r| Show InChI InChI=1S/C31H35N3O2/c35-31(33-36-23-26-7-3-1-4-8-26)16-15-24-11-13-25(14-12-24)22-34-19-17-28(18-20-34)32-30-21-29(30)27-9-5-2-6-10-27/h1-16,28-30,32H,17-23H2,(H,33,35)/b16-15+/t29-,30+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	7.5	25
Mirati Therapeutics, Inc. US Patent					Assay Description Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...				US Patent US10059668 (2018) BindingDB Entry DOI: 10.7270/Q2ZC84XW
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