BDBM236755 US9388140, 99

SMILES: CNC(=O)c1ccc(cc1C)-n1cnc2c(NCCC(F)(F)F)cc(Oc3ccc(O)c(F)c3)cc12

InChI Key: InChIKey=XLBRXGYPGDISOV-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 = 236755   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM236755 (US9388140, 99) Show SMILES CNC(=O)c1ccc(cc1C)-n1cnc2c(NCCC(F)(F)F)cc(Oc3ccc(O)c(F)c3)cc12 Show InChI InChI=1S/C25H22F4N4O3/c1-14-9-15(3-5-18(14)24(35)30-2)33-13-32-23-20(31-8-7-25(27,28)29)11-17(12-21(23)33)36-16-4-6-22(34)19(26)10-16/h3-6,9-13,31,34H,7-8H2,1-2H3,(H,30,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.40	n/a	n/a	n/a	n/a	7.7	22
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