BDBM50271792 CHEMBL546682::TCMDC-136271

SMILES: CS(=O)(=O)c1cccc(c1)-c1cnc2[nH]cc(-c3ccc(cc3)C(O)=O)c2c1

InChI Key: InChIKey=TVGYTAQYBIWPFW-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 = 50271792   

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
Calcium/calmodulin-dependent protein kinase kinase 2 (Homo sapiens (Human))	BDBM50271792 (CHEMBL546682 | TCMDC-136271) Show SMILES CS(=O)(=O)c1cccc(c1)-c1cnc2[nH]cc(-c3ccc(cc3)C(O)=O)c2c1 Show InChI InChI=1S/C21H16N2O4S/c1-28(26,27)17-4-2-3-15(9-17)16-10-18-19(12-23-20(18)22-11-16)13-5-7-14(8-6-13)21(24)25/h2-12H,1H3,(H,22,23)(H,24,25)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full-length human GST-tagged CAMKK2 using 5FAM-AKPKGNKDYHLQTCCGSLAYRRR-amide as substrate preincubated for 30 mins followed by substrat...				Bioorg Med Chem Lett 28: 1958-1963 (2018) Article DOI: 10.1016/j.bmcl.2018.03.034 BindingDB Entry DOI: 10.7270/Q2QZ2DFB
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