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SMILES: CC(C)CNc1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)C1CCCC1

InChI Key: InChIKey=GDDXHFSKRBPXJI-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 = 213817   
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))		BDBM213817
PNG
(US9284317, 4-2)
Show SMILES CC(C)CNc1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)C1CCCC1
Show InChI InChI=1S/C25H31N5O/c1-16(2)13-26-23-24-27-14-22(30(24)15-21(29-23)17-5-3-4-6-17)18-7-9-19(10-8-18)25(31)28-20-11-12-20/h7-10,14-17,20H,3-6,11-13H2,1-2H3,(H,26,29)(H,28,31)
PDB
MMDB

KEGG

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PC cid
PC sid
UniChem
US Patent
n/an/a 6.10n/an/an/an/a7.722



Bayer Intellectual Property GmbH

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 US9284317 (2016)


BindingDB Entry DOI: 10.7270/Q2HM5799
More data for this
Ligand-Target Pair