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BDBM223043 US9320737, IV.2

SMILES: COc1cccc2oc(cc12)-c1cnc2ccc(OCCCS(C)(=N)=O)nn12

InChI Key: InChIKey=DLZQHAOUJWYOTJ-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 = 223043   
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
MAP kinase-interacting serine/threonine-protein kinase 1 (MKNK1)


(Homo sapiens (Human))
BDBM223043
PNG
(US9320737, IV.2)
Show SMILES COc1cccc2oc(cc12)-c1cnc2ccc(OCCCS(C)(=N)=O)nn12
Show InChI InChI=1S/C19H20N4O4S/c1-25-15-5-3-6-16-13(15)11-17(27-16)14-12-21-18-7-8-19(22-23(14)18)26-9-4-10-28(2,20)24/h3,5-8,11-12,20H,4,9-10H2,1-2H3
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PC cid
PC sid
UniChem
US Patent
n/an/a 2n/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