BDBM50183039 CHEMBL3819612

SMILES: COCCNc1nc(Oc2ccccc2)nc2c(cnn12)-c1ccc(cc1)C(=O)NC1CC1

InChI Key: InChIKey=WAVXESKOKZLPJL-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 = 50183039   

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))	BDBM50183039 (CHEMBL3819612) Show SMILES COCCNc1nc(Oc2ccccc2)nc2c(cnn12)-c1ccc(cc1)C(=O)NC1CC1 Show InChI InChI=1S/C24H24N6O3/c1-32-14-13-25-23-29-24(33-19-5-3-2-4-6-19)28-21-20(15-26-30(21)23)16-7-9-17(10-8-16)22(31)27-18-11-12-18/h2-10,15,18H,11-14H2,1H3,(H,27,31)(H,25,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
EntreMed Inc. Curated by ChEMBL					Assay Description Inhibition of TTK (unknown origin)				Bioorg Med Chem Lett 26: 3562-6 (2016) BindingDB Entry DOI: 10.7270/Q28G8NNB
					More data for this Ligand-Target Pair