BDBM50439425 CHEMBL2420555

SMILES: O[C@H]1CC[C@@H](CC1)Nc1nc2ccc(cc2n2ccnc12)C(=O)NC1(CC1)c1ccc(F)cc1

InChI Key: InChIKey=MFJOWCFANZXQBU-MXVIHJGJSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50439425   

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
Microtubule-associated serine/threonine-protein kinase 3 (Homo sapiens (Human))	BDBM50439425 (CHEMBL2420555) Show SMILES O[C@H]1CC[C@@H](CC1)Nc1nc2ccc(cc2n2ccnc12)C(=O)NC1(CC1)c1ccc(F)cc1 |r,wU:4.7,wD:1.0,(5.97,-27.29,;7.31,-28.06,;7.31,-29.6,;8.64,-30.37,;9.97,-29.6,;9.97,-28.06,;8.64,-27.29,;11.31,-30.37,;12.64,-29.6,;13.97,-30.37,;15.31,-29.6,;16.64,-30.37,;17.98,-29.6,;17.98,-28.06,;16.64,-27.29,;15.31,-28.06,;13.97,-27.29,;13.65,-25.78,;12.12,-25.62,;11.5,-27.03,;12.64,-28.06,;19.31,-27.29,;19.31,-25.75,;20.64,-28.06,;21.98,-27.29,;22.97,-26.11,;21.45,-25.84,;23.24,-28.17,;23.1,-29.7,;24.37,-30.59,;25.76,-29.94,;27.02,-30.82,;25.89,-28.4,;24.63,-27.52,)| Show InChI InChI=1S/C26H26FN5O2/c27-18-4-2-17(3-5-18)26(11-12-26)31-25(34)16-1-10-21-22(15-16)32-14-13-28-24(32)23(30-21)29-19-6-8-20(33)9-7-19/h1-5,10,13-15,19-20,33H,6-9,11-12H2,(H,29,30)(H,31,34)/t19-,20-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	740	n/a	n/a	n/a	n/a	n/a	n/a
ActivX Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of MAST3 in human HuH7 cell lysates				Bioorg Med Chem Lett 23: 5217-22 (2013) Article DOI: 10.1016/j.bmcl.2013.06.087 BindingDB Entry DOI: 10.7270/Q24T6KSR
					More data for this Ligand-Target Pair