BDBM50317621 3'-(4-Propyl-1,2,3-triazol-1-yl)-3'-deoxythymidine::CHEMBL1098217

SMILES: CCCCCc1cn(nn1)[C@H]1C[C@@H](O[C@@H]1CO)n1cc(C)c(=O)[nH]c1=O

InChI Key: InChIKey=WKGSEEFZAFEDTO-RRFJBIMHSA-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 = 50317621   

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
Thymidine kinase (Ureaplasma parvum)	BDBM50317621 (3'-(4-Propyl-1,2,3-triazol-1-yl)-3'-deoxythymidine...) Show SMILES CCCCCc1cn(nn1)[C@H]1C[C@@H](O[C@@H]1CO)n1cc(C)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C17H25N5O4/c1-3-4-5-6-12-9-22(20-19-12)13-7-15(26-14(13)10-23)21-8-11(2)16(24)18-17(21)25/h8-9,13-15,23H,3-7,10H2,1-2H3,(H,18,24,25)/t13-,14+,15+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.89E+5	n/a	n/a	n/a	n/a	n/a	n/a
Swedish University Agricultural Sciences Curated by ChEMBL					Assay Description Inhibition of Ureaplasma parvum thymidine kinase by liquid scintillation counting				Bioorg Med Chem 18: 3261-9 (2010) Article DOI: 10.1016/j.bmc.2010.03.023 BindingDB Entry DOI: 10.7270/Q2QN66Z0
					More data for this Ligand-Target Pair
Thymidine kinase, cytosolic (Homo sapiens (Human))	BDBM50317621 (3'-(4-Propyl-1,2,3-triazol-1-yl)-3'-deoxythymidine...) Show SMILES CCCCCc1cn(nn1)[C@H]1C[C@@H](O[C@@H]1CO)n1cc(C)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C17H25N5O4/c1-3-4-5-6-12-9-22(20-19-12)13-7-15(26-14(13)10-23)21-8-11(2)16(24)18-17(21)25/h8-9,13-15,23H,3-7,10H2,1-2H3,(H,18,24,25)/t13-,14+,15+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.11E+5	n/a	n/a	n/a	n/a	n/a	n/a
Swedish University Agricultural Sciences Curated by ChEMBL					Assay Description Inhibition of human TK1 by liquid scintillation counting				Bioorg Med Chem 18: 3261-9 (2010) Article DOI: 10.1016/j.bmc.2010.03.023 BindingDB Entry DOI: 10.7270/Q2QN66Z0
					More data for this Ligand-Target Pair