BDBM213789 US9284317, 1-1

SMILES: C\C=C\c1cn2c(cnc2c(NCC(C)C)n1)-c1ccc(cc1)C(=O)NC1CC1

InChI Key: InChIKey=PJTRJBMDSXNEFE-SNAWJCMRSA-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 = 213789   

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))	BDBM213789 (US9284317, 1-1) Show SMILES C\C=C\c1cn2c(cnc2c(NCC(C)C)n1)-c1ccc(cc1)C(=O)NC1CC1 Show InChI InChI=1S/C23H27N5O/c1-4-5-19-14-28-20(13-25-22(28)21(26-19)24-12-15(2)3)16-6-8-17(9-7-16)23(29)27-18-10-11-18/h4-9,13-15,18H,10-12H2,1-3H3,(H,24,26)(H,27,29)/b5-4+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.20	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 US9284317 (2016) BindingDB Entry DOI: 10.7270/Q2HM5799
					More data for this Ligand-Target Pair