BDBM50183037 CHEMBL3819318

SMILES: Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NCC3CCOCC3)nc(Nc3ccccc3)nc12

InChI Key: InChIKey=VGJPHIRIEBLYEQ-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 = 50183037   

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))	BDBM50183037 (CHEMBL3819318) Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NCC3CCOCC3)nc(Nc3ccccc3)nc12 Show InChI InChI=1S/C28H31N7O2/c1-18-15-20(7-10-23(18)26(36)31-22-8-9-22)24-17-30-35-25(24)33-27(32-21-5-3-2-4-6-21)34-28(35)29-16-19-11-13-37-14-12-19/h2-7,10,15,17,19,22H,8-9,11-14,16H2,1H3,(H,31,36)(H2,29,32,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	11	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