BDBM149185 US8962648, 1300

SMILES: NCC1(CCC1)c1ccc(cc1)-c1c(O)ccc2[nH]c(=O)c3sccc3c12

InChI Key: InChIKey=LOXBGHNOBREYJT-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 = 149185   

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))	BDBM149185 (US8962648, 1300) Show SMILES NCC1(CCC1)c1ccc(cc1)-c1c(O)ccc2[nH]c(=O)c3sccc3c12 Show InChI InChI=1S/C22H20N2O2S/c23-12-22(9-1-10-22)14-4-2-13(3-5-14)18-17(25)7-6-16-19(18)15-8-11-27-20(15)21(26)24-16/h2-8,11,25H,1,9-10,12,23H2,(H,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.70	n/a	n/a	n/a	n/a	7.4	25
OncoTherapy Science, Inc. US Patent					Assay Description PBK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a s...				US Patent US8962648 (2015) BindingDB Entry DOI: 10.7270/Q27H1H9K
					More data for this Ligand-Target Pair