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SMILES: COc1cccc(Oc2cc(NCCC(F)(F)F)c3ncn(-c4ccc(C(=O)NC5CC5)c(C)c4)c3c2)c1

InChI Key: InChIKey=CFPFHUNOUPMDOF-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 = 236728   
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))		BDBM236728
PNG
(US9388140, 70)
Show SMILES COc1cccc(Oc2cc(NCCC(F)(F)F)c3ncn(-c4ccc(C(=O)NC5CC5)c(C)c4)c3c2)c1
Show InChI InChI=1S/C28H27F3N4O3/c1-17-12-19(8-9-23(17)27(36)34-18-6-7-18)35-16-33-26-24(32-11-10-28(29,30)31)14-22(15-25(26)35)38-21-5-3-4-20(13-21)37-2/h3-5,8-9,12-16,18,32H,6-7,10-11H2,1-2H3,(H,34,36)
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KEGG

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PC cid
PC sid
UniChem
US Patent
n/an/a 2n/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 US9388140 (2016)


BindingDB Entry DOI: 10.7270/Q2BP01QF
More data for this
Ligand-Target Pair