BDBM259281 US9499547, 22

SMILES: N[C@H]1C[C@H](COc2ccc3ncc(-c4cc5ccccc5o4)n3n2)C1

InChI Key: InChIKey=DWGCHGNLBYWHMN-MQMHXKEQSA-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 = 259281   

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))	BDBM259281 (US9499547, 22) Show SMILES N[C@H]1C[C@H](COc2ccc3ncc(-c4cc5ccccc5o4)n3n2)C1 |r,wU:3.3,wD:1.0,(-7.18,-.29,;-5.85,.48,;-4.36,.08,;-3.96,1.57,;-2.63,2.34,;-1.29,1.57,;.04,2.34,;.04,3.88,;1.37,4.65,;2.71,3.88,;4.17,4.36,;5.08,3.11,;4.17,1.87,;4.57,.38,;3.67,-.87,;4.57,-2.11,;4.25,-3.62,;5.4,-4.65,;6.86,-4.18,;7.18,-2.67,;6.04,-1.64,;6.04,-.1,;2.71,2.34,;1.37,1.57,;-5.45,1.97,)| Show InChI InChI=1S/C19H18N4O2/c20-14-7-12(8-14)11-24-19-6-5-18-21-10-15(23(18)22-19)17-9-13-3-1-2-4-16(13)25-17/h1-6,9-10,12,14H,7-8,11,20H2/t12-,14-	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	17	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))	BDBM259281 (US9499547, 22) Show SMILES N[C@H]1C[C@H](COc2ccc3ncc(-c4cc5ccccc5o4)n3n2)C1 |r,wU:3.3,wD:1.0,(-7.18,-.29,;-5.85,.48,;-4.36,.08,;-3.96,1.57,;-2.63,2.34,;-1.29,1.57,;.04,2.34,;.04,3.88,;1.37,4.65,;2.71,3.88,;4.17,4.36,;5.08,3.11,;4.17,1.87,;4.57,.38,;3.67,-.87,;4.57,-2.11,;4.25,-3.62,;5.4,-4.65,;6.86,-4.18,;7.18,-2.67,;6.04,-1.64,;6.04,-.1,;2.71,2.34,;1.37,1.57,;-5.45,1.97,)| Show InChI InChI=1S/C19H18N4O2/c20-14-7-12(8-14)11-24-19-6-5-18-21-10-15(23(18)22-19)17-9-13-3-1-2-4-16(13)25-17/h1-6,9-10,12,14H,7-8,11,20H2/t12-,14-	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	6	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