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SMILES: CCNC(=O)c1ccc(cc1C)-c1cc(NCCC(F)(F)F)c2ncn(-c3ccc(C(=O)NC4CC4)c(C)c3)c2c1

InChI Key: InChIKey=RTMXCNSPVMXHCL-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 = 236712   
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))		BDBM236712
PNG
(US9388140, 53)
Show SMILES CCNC(=O)c1ccc(cc1C)-c1cc(NCCC(F)(F)F)c2ncn(-c3ccc(C(=O)NC4CC4)c(C)c3)c2c1
Show InChI InChI=1S/C31H32F3N5O2/c1-4-35-29(40)24-9-5-20(13-18(24)2)21-15-26(36-12-11-31(32,33)34)28-27(16-21)39(17-37-28)23-8-10-25(19(3)14-23)30(41)38-22-6-7-22/h5,8-10,13-17,22,36H,4,6-7,11-12H2,1-3H3,(H,35,40)(H,38,41)
PDB
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KEGG

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PC cid
PC sid
UniChem
US Patent
n/an/a 1.90n/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