BDBM50100407 CHEMBL238635::CHEMBL28396::Octanoic acid 2-[5-((E)-2-bromo-vinyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl]-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-3-yl ester

SMILES: CCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(\C=C\Br)c(=O)[nH]c1=O

InChI Key: InChIKey=RDRKUMOEJLAQLK-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50100407   

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 (Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)	BDBM50100407 (CHEMBL238635 | Octanoic acid 2-[5-((E)-2-bromo-vin...) Show SMILES CCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(\C=C\Br)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C19H27BrN2O7/c1-2-3-4-5-6-7-14(24)29-16-15(25)13(11-23)28-18(16)22-10-12(8-9-20)17(26)21-19(22)27/h8-10,13,15-16,18,23,25H,2-7,11H2,1H3,(H,21,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description The compound was tested for its binding affinity against Nicotinic acetylcholine receptor in synaptic membrane fractions from rat cerebral cortices.				Bioorg Med Chem Lett 11: 1329-32 (2001) BindingDB Entry DOI: 10.7270/Q27W6CRF
					More data for this Ligand-Target Pair
Thymidine kinase, mitochondrial (Homo sapiens (Human))	BDBM50100407 (CHEMBL238635 | Octanoic acid 2-[5-((E)-2-bromo-vin...) Show SMILES CCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(\C=C\Br)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C19H27BrN2O7/c1-2-3-4-5-6-7-14(24)29-16-15(25)13(11-23)28-18(16)22-10-12(8-9-20)17(26)21-19(22)27/h8-10,13,15-16,18,23,25H,2-7,11H2,1H3,(H,21,26,27)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Inhibitory concentration against mitochondrial thymidine kinase (TK-2)				Bioorg Med Chem Lett 11: 1329-32 (2001) BindingDB Entry DOI: 10.7270/Q27W6CRF
					More data for this Ligand-Target Pair
Deoxynucleoside kinase (Drosophila melanogaster)	BDBM50100407 (CHEMBL238635 | Octanoic acid 2-[5-((E)-2-bromo-vin...) Show SMILES CCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(\C=C\Br)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C19H27BrN2O7/c1-2-3-4-5-6-7-14(24)29-16-15(25)13(11-23)28-18(16)22-10-12(8-9-20)17(26)21-19(22)27/h8-10,13,15-16,18,23,25H,2-7,11H2,1H3,(H,21,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.78E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Inhibitory concentration against Drosophila melanogaster deoxyribonucleoside kinase (Dm-dNK)				Bioorg Med Chem Lett 11: 1329-32 (2001) BindingDB Entry DOI: 10.7270/Q27W6CRF
					More data for this Ligand-Target Pair
Thymidine kinase (Varicella-zoster virus (strain Dumas) (HHV-3) (Hum...)	BDBM50100407 (CHEMBL238635 | Octanoic acid 2-[5-((E)-2-bromo-vin...) Show SMILES CCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(\C=C\Br)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C19H27BrN2O7/c1-2-3-4-5-6-7-14(24)29-16-15(25)13(11-23)28-18(16)22-10-12(8-9-20)17(26)21-19(22)27/h8-10,13,15-16,18,23,25H,2-7,11H2,1H3,(H,21,26,27)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.18E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Inhibitory concentration against Varicella- zoster virus thymidine kinase(VZV TK)				Bioorg Med Chem Lett 11: 1329-32 (2001) BindingDB Entry DOI: 10.7270/Q27W6CRF
					More data for this Ligand-Target Pair
Thymidine kinase, cytosolic (Homo sapiens (Human))	BDBM50100407 (CHEMBL238635 | Octanoic acid 2-[5-((E)-2-bromo-vin...) Show SMILES CCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(\C=C\Br)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C19H27BrN2O7/c1-2-3-4-5-6-7-14(24)29-16-15(25)13(11-23)28-18(16)22-10-12(8-9-20)17(26)21-19(22)27/h8-10,13,15-16,18,23,25H,2-7,11H2,1H3,(H,21,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Inhibitory concentration against cytosolic thymidine kinase (TK-1)				Bioorg Med Chem Lett 11: 1329-32 (2001) BindingDB Entry DOI: 10.7270/Q27W6CRF
					More data for this Ligand-Target Pair