BDBM50388787 CHEMBL2062570

SMILES: CC(=O)Nc1ccc2ccn(-c3cc(Nc4ccn(C)n4)n4ncc(C#N)c4n3)c2c1

InChI Key: InChIKey=DDSXGXPBOKBKAJ-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50388787   

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
Casein kinase II subunit alpha (Homo sapiens (Human))	BDBM50388787 (CHEMBL2062570) Show SMILES CC(=O)Nc1ccc2ccn(-c3cc(Nc4ccn(C)n4)n4ncc(C#N)c4n3)c2c1 Show InChI InChI=1S/C21H17N9O/c1-13(31)24-16-4-3-14-5-8-29(17(14)9-16)19-10-20(25-18-6-7-28(2)27-18)30-21(26-19)15(11-22)12-23-30/h3-10,12H,1-2H3,(H,24,31)(H,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of full length N-terminus His-tagged human CK2alpha expressed in insect Sf21 cells using BODIPY-FL-RRRDDDSDDD-CONH2 as substrate after 20 ...				ACS Med Chem Lett 3: 278-283 (2012) Article DOI: 10.1021/ml200257n BindingDB Entry DOI: 10.7270/Q23N24GS
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha (Homo sapiens (Human))	BDBM50388787 (CHEMBL2062570) Show SMILES CC(=O)Nc1ccc2ccn(-c3cc(Nc4ccn(C)n4)n4ncc(C#N)c4n3)c2c1 Show InChI InChI=1S/C21H17N9O/c1-13(31)24-16-4-3-14-5-8-29(17(14)9-16)19-10-20(25-18-6-7-28(2)27-18)30-21(26-19)15(11-22)12-23-30/h3-10,12H,1-2H3,(H,24,31)(H,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of CK2alpha in human DLD-1 cells assessed as decrease in AKT phosphorylation at S129 residue after 24 hrs by ELISA				ACS Med Chem Lett 3: 278-283 (2012) Article DOI: 10.1021/ml200257n BindingDB Entry DOI: 10.7270/Q23N24GS
					More data for this Ligand-Target Pair