BDBM50267896 CHEMBL4064614

SMILES: CCOc1ccc2nc3cc(NC(=O)c4cccc(c4)[N+]([O-])=O)ccc3c(N)c2c1

InChI Key: InChIKey=UKJBODIDHYFATH-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 = 50267896   

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
STE20/SPS1-related proline-alanine-rich protein kinase (Rattus norvegicus)	BDBM50267896 (CHEMBL4064614) Show SMILES CCOc1ccc2nc3cc(NC(=O)c4cccc(c4)[N+]([O-])=O)ccc3c(N)c2c1 Show InChI InChI=1S/C22H18N4O4/c1-2-30-16-7-9-19-18(12-16)21(23)17-8-6-14(11-20(17)25-19)24-22(27)13-4-3-5-15(10-13)26(28)29/h3-12H,2H2,1H3,(H2,23,25)(H,24,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Biomaterials and Bioengineering, Tokyo Medical and Dental University (TMDU), 2-3-10 Kanda-Surugadai, Chiyodaku, Tokyo 101-0062, Japan. Curated by ChEMBL					Assay Description Inhibition of TAMRA-labelled WNK4 binding to recombinant rat C-terminal GST-fused SPAK (452 to 553 residues) expressed in Escherichia coli BL21 measu...				Bioorg Med Chem 25: 3845-3852 (2017) Article DOI: 10.1016/j.bmc.2017.05.034 BindingDB Entry DOI: 10.7270/Q22Z1811
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