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SMILES: COc1nccc2oc(cc12)-c1cnc2ccc(OCCCS(C)(=O)=O)nn12

InChI Key: InChIKey=RBFQIOHPMCPMFR-UHFFFAOYSA-N

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 223039   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Isoform 2 of MAP kinase-interacting serine/threonine-protein kinase 1 (MNK1a) 344D]


(Homo sapiens (Human))		BDBM223039
PNG
(US9320737, III.12)
Show SMILES COc1nccc2oc(cc12)-c1cnc2ccc(OCCCS(C)(=O)=O)nn12
Show InChI InChI=1S/C18H18N4O5S/c1-25-18-12-10-15(27-14(12)6-7-19-18)13-11-20-16-4-5-17(21-22(13)16)26-8-3-9-28(2,23)24/h4-7,10-11H,3,8-9H2,1-2H3
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 12n/an/an/an/a7.522



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 mL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...

US Patent US9320737 (2016)


BindingDB Entry DOI: 10.7270/Q22V2F00
More data for this
Ligand-Target Pair