BDBM50439426 CHEMBL2420572

SMILES: O[C@H]1CC[C@@H](CC1)Nc1nc2ccc(cc2n2ccnc12)C(=O)NC1(CC1)c1ccccc1

InChI Key: InChIKey=YOOLXKXFWTXRHM-MXVIHJGJSA-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 = 50439426   

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))	BDBM50439426 (CHEMBL2420572) Show SMILES O[C@H]1CC[C@@H](CC1)Nc1nc2ccc(cc2n2ccnc12)C(=O)NC1(CC1)c1ccccc1 |r,wU:4.7,wD:1.0,(12.09,-19.11,;13.43,-19.86,;13.45,-21.4,;14.81,-22.15,;16.13,-21.36,;16.11,-19.82,;14.76,-19.08,;17.47,-22.12,;18.79,-21.32,;20.13,-22.08,;21.46,-21.29,;22.8,-22.04,;24.12,-21.25,;24.1,-19.71,;22.76,-18.96,;21.43,-19.75,;20.09,-19,;19.75,-17.5,;18.22,-17.36,;17.61,-18.77,;18.77,-19.79,;25.43,-18.93,;25.41,-17.39,;26.77,-19.67,;28.09,-18.89,;28.72,-17.48,;27.19,-17.64,;29.45,-19.61,;29.5,-21.15,;30.85,-21.89,;32.16,-21.07,;32.11,-19.53,;30.76,-18.81,)| Show InChI InChI=1S/C26H27N5O2/c32-20-9-7-19(8-10-20)28-23-24-27-14-15-31(24)22-16-17(6-11-21(22)29-23)25(33)30-26(12-13-26)18-4-2-1-3-5-18/h1-6,11,14-16,19-20,32H,7-10,12-13H2,(H,28,29)(H,30,33)/t19-,20-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	240	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