BDBM50317620 3'-(4-tert-Butyl-1,2,3-triazol-1-yl)-3'-deoxythymidine::CHEMBL1098218

SMILES: Cc1cn([C@H]2C[C@@H]([C@@H](CO)O2)n2cc(nn2)C(C)(C)C)c(=O)[nH]c1=O

InChI Key: InChIKey=NEWSOUXWMBZHSE-DMDPSCGWSA-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 = 50317620   

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)	BDBM50317620 (3'-(4-tert-Butyl-1,2,3-triazol-1-yl)-3'-deoxythymi...) Show SMILES Cc1cn([C@H]2C[C@@H]([C@@H](CO)O2)n2cc(nn2)C(C)(C)C)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C16H23N5O4/c1-9-6-20(15(24)17-14(9)23)13-5-10(11(8-22)25-13)21-7-12(18-19-21)16(2,3)4/h6-7,10-11,13,22H,5,8H2,1-4H3,(H,17,23,24)/t10-,11+,13+/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	3.18E+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))	BDBM50317620 (3'-(4-tert-Butyl-1,2,3-triazol-1-yl)-3'-deoxythymi...) Show SMILES Cc1cn([C@H]2C[C@@H]([C@@H](CO)O2)n2cc(nn2)C(C)(C)C)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C16H23N5O4/c1-9-6-20(15(24)17-14(9)23)13-5-10(11(8-22)25-13)21-7-12(18-19-21)16(2,3)4/h6-7,10-11,13,22H,5,8H2,1-4H3,(H,17,23,24)/t10-,11+,13+/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	1.14E+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