BDBM50365392 CHEMBL1956668

SMILES: Cn1c2cc(cnc2[nH]c1=O)-c1cccc(c1)C(=O)NCCCc1ccccc1

InChI Key: InChIKey=AOPJPLQBPFRXKA-UHFFFAOYSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50365392   

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
Thymidylate kinase (Homo sapiens (Human))	BDBM50365392 (CHEMBL1956668) Show SMILES Cn1c2cc(cnc2[nH]c1=O)-c1cccc(c1)C(=O)NCCCc1ccccc1 Show InChI InChI=1S/C23H22N4O2/c1-27-20-14-19(15-25-21(20)26-23(27)29)17-10-5-11-18(13-17)22(28)24-12-6-9-16-7-3-2-4-8-16/h2-5,7-8,10-11,13-15H,6,9,12H2,1H3,(H,24,28)(H,25,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Inhibition of human thymidylate kinase using dTMP as substrate after 30 mins by fluorescence analysis				J Med Chem 55: 852-70 (2012) Article DOI: 10.1021/jm201349f BindingDB Entry DOI: 10.7270/Q2BZ66HV
					More data for this Ligand-Target Pair