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SMILES: Cc1cc(ccc1C(=O)NC1CC1)-n1cnc2c(NCCC(F)(F)F)cc(Oc3ccc(OC(F)F)cc3)cc12

InChI Key: InChIKey=VUUJPZVYCVCBTG-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 = 236719   
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))		BDBM236719
PNG
(US9388140, 61)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-n1cnc2c(NCCC(F)(F)F)cc(Oc3ccc(OC(F)F)cc3)cc12
Show InChI InChI=1S/C28H25F5N4O3/c1-16-12-18(4-9-22(16)26(38)36-17-2-3-17)37-15-35-25-23(34-11-10-28(31,32)33)13-21(14-24(25)37)39-19-5-7-20(8-6-19)40-27(29)30/h4-9,12-15,17,27,34H,2-3,10-11H2,1H3,(H,36,38)
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KEGG

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PC cid
PC sid
UniChem
US Patent
n/an/a 1.30n/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