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SMILES: Cc1cc(ccc1C(=O)NC1CC1)-n1cnc2c(NCCC(F)(F)F)cc(cc12)-c1ccncc1

InChI Key: InChIKey=BTAXFOXWFACXRV-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 = 236661   
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))		BDBM236661
PNG
(US9388140, 2)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-n1cnc2c(NCCC(F)(F)F)cc(cc12)-c1ccncc1
Show InChI InChI=1S/C26H24F3N5O/c1-16-12-20(4-5-21(16)25(35)33-19-2-3-19)34-15-32-24-22(31-11-8-26(27,28)29)13-18(14-23(24)34)17-6-9-30-10-7-17/h4-7,9-10,12-15,19,31H,2-3,8,11H2,1H3,(H,33,35)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.200n/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