BDBM50081548 CHEMBL3422060

SMILES: CN1CCN(CC1)c1ccc(cc1)-c1n[nH]c2ccc(cc12)C(=O)NCC1(CCCCC1)N1CCOCC1

InChI Key: InChIKey=LKZXAQZZOSZHLE-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 = 50081548   

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))	BDBM50081548 (CHEMBL3422060) Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1n[nH]c2ccc(cc12)C(=O)NCC1(CCCCC1)N1CCOCC1 Show InChI InChI=1S/C30H40N6O2/c1-34-13-15-35(16-14-34)25-8-5-23(6-9-25)28-26-21-24(7-10-27(26)32-33-28)29(37)31-22-30(11-3-2-4-12-30)36-17-19-38-20-18-36/h5-10,21H,2-4,11-20,22H2,1H3,(H,31,37)(H,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.60	n/a	n/a	n/a	n/a	n/a	n/a
EntreMed Inc. Curated by ChEMBL					Assay Description Inhibition of amino terminal GST-fused full length human TTK using His6-SUMO-TTK-N as substrate preincubated for 15 mins prior to ATP addition by ind...				J Med Chem 58: 3366-92 (2015) Article DOI: 10.1021/jm501740a BindingDB Entry DOI: 10.7270/Q2Q52RCN
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