null

SMILES: CC[C@H](CO)Nc1cc(NCC2CCOCC2)n2ncc(-c3ccc(C(=O)NC4CC4)c(C)c3)c2n1

InChI Key: InChIKey=IYJXSKDUTOMAQX-HXUWFJFHSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50533125   

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))	BDBM50533125 (CHEMBL4534302) Show SMILES CC[C@H](CO)Nc1cc(NCC2CCOCC2)n2ncc(-c3ccc(C(=O)NC4CC4)c(C)c3)c2n1 |r| Show InChI InChI=1S/C27H36N6O3/c1-3-20(16-34)30-24-13-25(28-14-18-8-10-36-11-9-18)33-26(32-24)23(15-29-33)19-4-7-22(17(2)12-19)27(35)31-21-5-6-21/h4,7,12-13,15,18,20-21,28,34H,3,5-6,8-11,14,16H2,1-2H3,(H,30,32)(H,31,35)/t20-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
EntreMed Inc. Curated by ChEMBL					Assay Description Inhibition of full length recombinant N-terminal GST-tagged and sumo-tagged human TTK (1 to 275 residues) expressed in Escherichia coli pre-incubated...				ACS Med Chem Lett 7: 671-5 (2016) Article DOI: 10.1021/acsmedchemlett.5b00485
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50533125 (CHEMBL4534302) Show SMILES CC[C@H](CO)Nc1cc(NCC2CCOCC2)n2ncc(-c3ccc(C(=O)NC4CC4)c(C)c3)c2n1 |r| Show InChI InChI=1S/C27H36N6O3/c1-3-20(16-34)30-24-13-25(28-14-18-8-10-36-11-9-18)33-26(32-24)23(15-29-33)19-4-7-22(17(2)12-19)27(35)31-21-5-6-21/h4,7,12-13,15,18,20-21,28,34H,3,5-6,8-11,14,16H2,1-2H3,(H,30,32)(H,31,35)/t20-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
EntreMed Inc. Curated by ChEMBL					Assay Description Inhibition of full length recombinant N-terminal GST-tagged and sumo-tagged human TTK (1 to 275 residues) expressed in Escherichia coli pre-incubated...				ACS Med Chem Lett 7: 671-5 (2016) Article DOI: 10.1021/acsmedchemlett.5b00485
					More data for this Ligand-Target Pair