BDBM50520956 CHEMBL4444190

SMILES: C[C@@H](CN(C)C)c1ccc(cc1)-c1c(O)cc(C)c2[nH]c(=O)c3ccccc3c12

InChI Key: InChIKey=IDMBUPPWSYHDDY-INIZCTEOSA-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 = 50520956   

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
PDZ-binding kinase (Homo sapiens (Human))	BDBM50520956 (CHEMBL4444190) Show SMILES C[C@@H](CN(C)C)c1ccc(cc1)-c1c(O)cc(C)c2[nH]c(=O)c3ccccc3c12 |r| Show InChI InChI=1S/C25H26N2O2/c1-15-13-21(28)22(18-11-9-17(10-12-18)16(2)14-27(3)4)23-19-7-5-6-8-20(19)25(29)26-24(15)23/h5-13,16,28H,14H2,1-4H3,(H,26,29)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of human TOPK using MBP as substrate after 2 hrs in presence of [gamma-33P]-ATP by filter-binding method				Eur J Med Chem 162: 407-422 (2019) Article DOI: 10.1016/j.ejmech.2018.11.007
					More data for this Ligand-Target Pair