BDBM50370388 5IUDR::Allergan 211::Allergan-211::Dendrid::Herplex::IDOXURIDINE::IDU

SMILES: OC[C@H]1O[C@H](C[C@@H]1O)n1cc(I)c(=O)[nH]c1=O

InChI Key: InChIKey=XQFRJNBWHJMXHO-RRKCRQDMSA-N

Data: 3 KI  1 IC50

PDB links: 1 PDB ID matches this monomer.

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 4 hits for monomerid = 50370388   

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, cytosolic (Homo sapiens (Human))	BDBM50370388 (5IUDR | Allergan 211 | Allergan-211 | Dendrid | He...) Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cc(I)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C9H11IN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Similars	PubMed	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition constant was measured against Thymidine kinase				J Med Chem 28: 904-10 (1985) BindingDB Entry DOI: 10.7270/Q2HD7W7Z
					More data for this Ligand-Target Pair
Thymidine kinase, cytosolic (Homo sapiens (Human))	BDBM50370388 (5IUDR | Allergan 211 | Allergan-211 | Dendrid | He...) Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cc(I)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C9H11IN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute at Frederick Curated by ChEMBL					Assay Description Binding affinity constant against HSV-1 thymidine kinase				J Med Chem 46: 5045-54 (2003) Article DOI: 10.1021/jm030241s BindingDB Entry DOI: 10.7270/Q2BR8SXZ
					More data for this Ligand-Target Pair
Thymidine kinase, cytosolic (Homo sapiens (Human))	BDBM50370388 (5IUDR | Allergan 211 | Allergan-211 | Dendrid | He...) Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cc(I)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C9H11IN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Similars	PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition constant was measured against Thymidine kinase				J Med Chem 28: 904-10 (1985) BindingDB Entry DOI: 10.7270/Q2HD7W7Z
					More data for this Ligand-Target Pair
Thymidine kinase (Macacine herpesvirus 1)	BDBM50370388 (5IUDR | Allergan 211 | Allergan-211 | Dendrid | He...) Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cc(I)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C9H11IN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
GLSynthesis Inc. Curated by ChEMBL					Assay Description Inhibition of Herpes B virus recombinant thymidine kinase-mediated [3H]TdR phosphorylation				Antimicrob Agents Chemother 51: 2028-34 (2007) Article DOI: 10.1128/AAC.01284-06 BindingDB Entry DOI: 10.7270/Q2RN38R9
					More data for this Ligand-Target Pair