BDBM213818 US9284317, 5-1

SMILES: CC(C)CNc1nc(\C=C2/CCC(=O)N2C)cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1

InChI Key: InChIKey=QYCVFPPIHOYZJB-CIAFOILYSA-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 = 213818   

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))	BDBM213818 (US9284317, 5-1) Show SMILES CC(C)CNc1nc(\C=C2/CCC(=O)N2C)cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1 Show InChI InChI=1S/C26H30N6O2/c1-16(2)13-27-24-25-28-14-22(17-4-6-18(7-5-17)26(34)30-19-8-9-19)32(25)15-20(29-24)12-21-10-11-23(33)31(21)3/h4-7,12,14-16,19H,8-11,13H2,1-3H3,(H,27,29)(H,30,34)/b21-12+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90	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