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BDBM236691 US9388140, 32

SMILES: CNC(=O)c1ccc(cc1C)-n1cnc2c(NCCC(F)(F)F)cc(cc12)-c1ccnn1C

InChI Key: InChIKey=QNSLMHJZTSODDJ-UHFFFAOYSA-N

Data: 1 IC50

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 = 236691   
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))
BDBM236691
PNG
(US9388140, 32)
Show SMILES CNC(=O)c1ccc(cc1C)-n1cnc2c(NCCC(F)(F)F)cc(cc12)-c1ccnn1C
Show InChI InChI=1S/C23H23F3N6O/c1-14-10-16(4-5-17(14)22(33)27-2)32-13-29-21-18(28-9-7-23(24,25)26)11-15(12-20(21)32)19-6-8-30-31(19)3/h4-6,8,10-13,28H,7,9H2,1-3H3,(H,27,33)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 20.2n/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