BDBM50059639 CHEMBL3393500

SMILES: Cc1ccc2c(oc(cc2=O)N2CCOCC2)c1-c1cccc2c3ccccc3sc12

InChI Key: InChIKey=DIZNZBSYZPTCOO-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 = 50059639   

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
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50059639 (CHEMBL3393500) Show SMILES Cc1ccc2c(oc(cc2=O)N2CCOCC2)c1-c1cccc2c3ccccc3sc12 |(-5,-3.04,;-3.93,-3.66,;-3.94,-5.2,;-2.6,-5.98,;-1.26,-5.22,;-1.25,-3.68,;.09,-2.92,;1.42,-3.7,;1.41,-5.24,;.07,-6,;.06,-7.23,;2.76,-2.93,;2.77,-1.39,;4.12,-.63,;5.45,-1.41,;5.43,-2.96,;4.09,-3.72,;-2.58,-2.9,;-2.56,-1.36,;-1.31,-.65,;-1.28,.82,;-2.51,1.58,;-3.82,.87,;-6.35,.92,;-7.61,1.68,;-8.93,.97,;-8.96,-.5,;-7.67,-1.26,;-6.37,-.55,;-5.13,-1.31,;-3.85,-.6,)| Show InChI InChI=1S/C26H21NO3S/c1-16-9-10-19-21(28)15-23(27-11-13-29-14-12-27)30-25(19)24(16)20-7-4-6-18-17-5-2-3-8-22(17)31-26(18)20/h2-10,15H,11-14H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital Hradec Kralove Curated by ChEMBL					Assay Description Inhibition of DNA-PK (unknown origin)				J Med Chem 58: 41-71 (2015) Article DOI: 10.1021/jm501026z BindingDB Entry DOI: 10.7270/Q2P84DJ7
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50059639 (CHEMBL3393500) Show SMILES Cc1ccc2c(oc(cc2=O)N2CCOCC2)c1-c1cccc2c3ccccc3sc12 |(-5,-3.04,;-3.93,-3.66,;-3.94,-5.2,;-2.6,-5.98,;-1.26,-5.22,;-1.25,-3.68,;.09,-2.92,;1.42,-3.7,;1.41,-5.24,;.07,-6,;.06,-7.23,;2.76,-2.93,;2.77,-1.39,;4.12,-.63,;5.45,-1.41,;5.43,-2.96,;4.09,-3.72,;-2.58,-2.9,;-2.56,-1.36,;-1.31,-.65,;-1.28,.82,;-2.51,1.58,;-3.82,.87,;-6.35,.92,;-7.61,1.68,;-8.93,.97,;-8.96,-.5,;-7.67,-1.26,;-6.37,-.55,;-5.13,-1.31,;-3.85,-.6,)| Show InChI InChI=1S/C26H21NO3S/c1-16-9-10-19-21(28)15-23(27-11-13-29-14-12-27)30-25(19)24(16)20-7-4-6-18-17-5-2-3-8-22(17)31-26(18)20/h2-10,15H,11-14H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital Hradec Kralove Curated by ChEMBL					Assay Description Inhibition of DNA-PK (unknown origin)				J Med Chem 58: 41-71 (2015) Article DOI: 10.1021/jm501026z BindingDB Entry DOI: 10.7270/Q2P84DJ7
					More data for this Ligand-Target Pair