BDBM50512325 CHEMBL4585148

SMILES: COc1cc(ccc1Nc1nc(OC2CCCC2)c2cc[nH]c2n1)C(=O)N(C)C

InChI Key: InChIKey=MECVZQUPJAELHS-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 = 50512325   

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))	BDBM50512325 (CHEMBL4585148) Show SMILES COc1cc(ccc1Nc1nc(OC2CCCC2)c2cc[nH]c2n1)C(=O)N(C)C Show InChI InChI=1S/C21H25N5O3/c1-26(2)20(27)13-8-9-16(17(12-13)28-3)23-21-24-18-15(10-11-22-18)19(25-21)29-14-6-4-5-7-14/h8-12,14H,4-7H2,1-3H3,(H2,22,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Corporation Curated by ChEMBL					Assay Description Inhibition of Kinase Tracer 236 binding to recombinant human full-length GST-tagged TTk expressed in baculovirus expression system measured after 1 h...				J Med Chem 62: 4401-4410 (2019) Article DOI: 10.1021/acs.jmedchem.8b01869
					More data for this Ligand-Target Pair