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SMILES: CCOc1ncccc1Nc1nc2ccc(cn2n1)N1CCN(CC1)C(=O)NCc1ccc(F)cc1

InChI Key: InChIKey=BRGPJCIXFJAUCK-UHFFFAOYSA-N

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 = 190458   
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
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM190458
PNG
(US9670202, Example01.13 4-{2-[(2-ethoxypyridin-3-y...)
Show SMILES CCOc1ncccc1Nc1nc2ccc(cn2n1)N1CCN(CC1)C(=O)NCc1ccc(F)cc1
Show InChI InChI=1S/C25H27FN8O2/c1-2-36-23-21(4-3-11-27-23)29-24-30-22-10-9-20(17-34(22)31-24)32-12-14-33(15-13-32)25(35)28-16-18-5-7-19(26)8-6-18/h3-11,17H,2,12-16H2,1H3,(H,28,35)(H,29,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 8.90E+3n/an/an/an/a7.7n/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay 50 nl 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 US9670202 (2017)


BindingDB Entry DOI: 10.7270/Q24Q7S5H
More data for this
Ligand-Target Pair