BDBM259263 US9499547, 4

SMILES: COc1cccc2oc(cc12)-c1cnc2ccc(OCCCN)nn12

InChI Key: InChIKey=VVEIMWKFKVKOBM-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 259263   

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
GST-MAP kinase-interacting serine/threonine-protein kinase 1 (MKNK1) (T344D) (Homo sapiens (Human))	BDBM259263 (US9499547, 4) Show SMILES COc1cccc2oc(cc12)-c1cnc2ccc(OCCCN)nn12 Show InChI InChI=1S/C18H18N4O3/c1-23-14-4-2-5-15-12(14)10-16(25-15)13-11-20-17-6-7-18(21-22(13)17)24-9-3-8-19/h2,4-7,10-11H,3,8-9,19H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	7.5	22
BAYER INTELLECTUAL PROPERTY GMBH US Patent					Assay Description MKNK1-inhibitory activity at high ATP of compounds of the present invention after their preincubation with MKNK1 was quantified employing the TR-FRET...				US Patent US9499547 (2016) BindingDB Entry DOI: 10.7270/Q2736PVK
					More data for this Ligand-Target Pair
GST-MAP kinase-interacting serine/threonine-protein kinase 1 (MKNK1) (T344D) (Homo sapiens (Human))	BDBM259263 (US9499547, 4) Show SMILES COc1cccc2oc(cc12)-c1cnc2ccc(OCCCN)nn12 Show InChI InChI=1S/C18H18N4O3/c1-23-14-4-2-5-15-12(14)10-16(25-15)13-11-20-17-6-7-18(21-22(13)17)24-9-3-8-19/h2,4-7,10-11H,3,8-9,19H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	7.5	22
BAYER INTELLECTUAL PROPERTY GMBH US Patent					Assay Description A recombinant fusion protein of Glutathione-S-Transferase (GST, N-terminally) and human full-length MKNK1 (amino acids 1-424 and T344D of accession n...				US Patent US9499547 (2016) BindingDB Entry DOI: 10.7270/Q2736PVK
					More data for this Ligand-Target Pair