BDBM228377 US9555022, Example 06.02

SMILES: COc1cc(CN2CCOCC2)ccc1Nc1nc2ccc(cn2n1)-c1ccc(C(=O)NCc2ccc(F)cc2)c(F)c1

InChI Key: InChIKey=BTYATQFCDZJYHY-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 = 228377   

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))	BDBM228377 (US9555022, Example 06.02) Show SMILES COc1cc(CN2CCOCC2)ccc1Nc1nc2ccc(cn2n1)-c1ccc(C(=O)NCc2ccc(F)cc2)c(F)c1 Show InChI InChI=1S/C32H30F2N6O3/c1-42-29-16-22(19-39-12-14-43-15-13-39)4-10-28(29)36-32-37-30-11-6-24(20-40(30)38-32)23-5-9-26(27(34)17-23)31(41)35-18-21-2-7-25(33)8-3-21/h2-11,16-17,20H,12-15,18-19H2,1H3,(H,35,41)(H,36,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.7	n/a
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 US9555022 (2017) BindingDB Entry DOI: 10.7270/Q25H7J86
					More data for this Ligand-Target Pair