BDBM392726 Example 26::US10301291, Compound 14b

SMILES: N#CCc1cnc(-c2ccc3OCCOc3c2)n1-c1ccnc(NC2CCCNC2)n1

InChI Key: InChIKey=KIAJIEKKEKCEIV-UHFFFAOYSA-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 = 392726   

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
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM392726 (Example 26 | US10301291, Compound 14b) Show SMILES N#CCc1cnc(-c2ccc3OCCOc3c2)n1-c1ccnc(NC2CCCNC2)n1 Show InChI InChI=1S/C22H23N7O2/c23-7-5-17-14-26-21(15-3-4-18-19(12-15)31-11-10-30-18)29(17)20-6-9-25-22(28-20)27-16-2-1-8-24-13-16/h3-4,6,9,12,14,16,24H,1-2,5,8,10-11,13H2,(H,25,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description First of all, after a substrate was inserted into a prepared base reaction buffer solution (20 mM Hepes (pH 75), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35...				J Med Chem 52: 1994-2005 (2009) BindingDB Entry DOI: 10.7270/Q20K2BW1
					More data for this Ligand-Target Pair