BDBM50440169 CHEMBL2426578

SMILES: CCOc1ccc(cc1OC)-c1nc(CSc2nc(N)cc(N)n2)cs1

InChI Key: InChIKey=RCRHRBBNZAVXQG-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 = 50440169   

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
Deoxycytidine kinase (Mus musculus)	BDBM50440169 (CHEMBL2426578) Show SMILES CCOc1ccc(cc1OC)-c1nc(CSc2nc(N)cc(N)n2)cs1 Show InChI InChI=1S/C17H19N5O2S2/c1-3-24-12-5-4-10(6-13(12)23-2)16-20-11(8-25-16)9-26-17-21-14(18)7-15(19)22-17/h4-8H,3,9H2,1-2H3,(H4,18,19,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
California NanoSystems Institute Curated by ChEMBL					Assay Description Inhibition of dCK in mouse L1210 cells assessed as inhibition of tritiated deoxycytidine [3H]-dC uptake				J Med Chem 56: 6696-708 (2013) Article DOI: 10.1021/jm400457y BindingDB Entry DOI: 10.7270/Q2JS9RWP
					More data for this Ligand-Target Pair