BDBM270490 US10059668, Example 54

SMILES: O=C(NS(=O)(=O)C1CC1)c1ccc(CN2CCC(CN[C@@H]3C[C@H]3c3ccccc3)CC2)cc1

InChI Key: InChIKey=JOINKBJKBLDHJL-LOSJGSFVSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 270490   

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))	BDBM270490 (US10059668, Example 54) Show SMILES O=C(NS(=O)(=O)C1CC1)c1ccc(CN2CCC(CN[C@@H]3C[C@H]3c3ccccc3)CC2)cc1 |r| Show InChI InChI=1S/C26H33N3O3S/c30-26(28-33(31,32)23-10-11-23)22-8-6-20(7-9-22)18-29-14-12-19(13-15-29)17-27-25-16-24(25)21-4-2-1-3-5-21/h1-9,19,23-25,27H,10-18H2,(H,28,30)/t24-,25+/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	9	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
					More data for this Ligand-Target Pair