BDBM50118491 5-Methyl-1-(4-trityloxy-but-2-enyl)-1H-pyrimidine-2,4-dione::CHEMBL422810

SMILES: Cc1cn(C\C=C\COC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O

InChI Key: InChIKey=BHMZJUVAVWRNLN-VAWYXSNFSA-N

Data: 6 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 6 hits for monomerid = 50118491   

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))	BDBM50118491 (5-Methyl-1-(4-trityloxy-but-2-enyl)-1H-pyrimidine-...) Show SMILES Cc1cn(C\C=C\COC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O Show InChI InChI=1S/C28H26N2O3/c1-22-21-30(27(32)29-26(22)31)19-11-12-20-33-28(23-13-5-2-6-14-23,24-15-7-3-8-16-24)25-17-9-4-10-18-25/h2-18,21H,19-20H2,1H3,(H,29,31,32)/b12-11+	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	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica (CSIC) Curated by ChEMBL					Assay Description Inhibitory activity against HSV-1 Thymidine kinase in OST-TK-/HSV-1 TK+ cell line in combination with BVAraU				J Med Chem 45: 4254-63 (2002) BindingDB Entry DOI: 10.7270/Q2GQ6ZGB
					More data for this Ligand-Target Pair
Thymidine kinase, cytosolic (Homo sapiens (Human))	BDBM50118491 (5-Methyl-1-(4-trityloxy-but-2-enyl)-1H-pyrimidine-...) Show SMILES Cc1cn(C\C=C\COC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O Show InChI InChI=1S/C28H26N2O3/c1-22-21-30(27(32)29-26(22)31)19-11-12-20-33-28(23-13-5-2-6-14-23,24-15-7-3-8-16-24)25-17-9-4-10-18-25/h2-18,21H,19-20H2,1H3,(H,29,31,32)/b12-11+	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	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica (CSIC) Curated by ChEMBL					Assay Description Compound was evaluated for inhibitory effect against phosphorylation of [methyl-3H]dThd by HSV-1 Thymidine kinase				J Med Chem 45: 4254-63 (2002) BindingDB Entry DOI: 10.7270/Q2GQ6ZGB
					More data for this Ligand-Target Pair
Thymidine kinase, cytosolic (Homo sapiens (Human))	BDBM50118491 (5-Methyl-1-(4-trityloxy-but-2-enyl)-1H-pyrimidine-...) Show SMILES Cc1cn(C\C=C\COC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O Show InChI InChI=1S/C28H26N2O3/c1-22-21-30(27(32)29-26(22)31)19-11-12-20-33-28(23-13-5-2-6-14-23,24-15-7-3-8-16-24)25-17-9-4-10-18-25/h2-18,21H,19-20H2,1H3,(H,29,31,32)/b12-11+	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	230	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica (CSIC) Curated by ChEMBL					Assay Description Inhibitory activity against HSV-1 Thymidine kinase in OST-TK-/HSV-1 TK+ cell line in combination with gancicclovir				J Med Chem 45: 4254-63 (2002) BindingDB Entry DOI: 10.7270/Q2GQ6ZGB
					More data for this Ligand-Target Pair
Thymidine kinase, cytosolic (Homo sapiens (Human))	BDBM50118491 (5-Methyl-1-(4-trityloxy-but-2-enyl)-1H-pyrimidine-...) Show SMILES Cc1cn(C\C=C\COC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O Show InChI InChI=1S/C28H26N2O3/c1-22-21-30(27(32)29-26(22)31)19-11-12-20-33-28(23-13-5-2-6-14-23,24-15-7-3-8-16-24)25-17-9-4-10-18-25/h2-18,21H,19-20H2,1H3,(H,29,31,32)/b12-11+	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	4.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica (CSIC) Curated by ChEMBL					Assay Description Inhibitory concentration against HSV-1 TK (A167Y) catalyzed [3H]-GCV phosphorylation				J Med Chem 45: 4254-63 (2002) BindingDB Entry DOI: 10.7270/Q2GQ6ZGB
					More data for this Ligand-Target Pair
Thymidine kinase, cytosolic (Homo sapiens (Human))	BDBM50118491 (5-Methyl-1-(4-trityloxy-but-2-enyl)-1H-pyrimidine-...) Show SMILES Cc1cn(C\C=C\COC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O Show InChI InChI=1S/C28H26N2O3/c1-22-21-30(27(32)29-26(22)31)19-11-12-20-33-28(23-13-5-2-6-14-23,24-15-7-3-8-16-24)25-17-9-4-10-18-25/h2-18,21H,19-20H2,1H3,(H,29,31,32)/b12-11+	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	390	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica (CSIC) Curated by ChEMBL					Assay Description Inhibitory concentration against HSV-1 TK (WT) catalyzed [3H]-GCV phosphorylation				J Med Chem 45: 4254-63 (2002) BindingDB Entry DOI: 10.7270/Q2GQ6ZGB
					More data for this Ligand-Target Pair
Thymidine kinase, cytosolic (Homo sapiens (Human))	BDBM50118491 (5-Methyl-1-(4-trityloxy-but-2-enyl)-1H-pyrimidine-...) Show SMILES Cc1cn(C\C=C\COC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O Show InChI InChI=1S/C28H26N2O3/c1-22-21-30(27(32)29-26(22)31)19-11-12-20-33-28(23-13-5-2-6-14-23,24-15-7-3-8-16-24)25-17-9-4-10-18-25/h2-18,21H,19-20H2,1H3,(H,29,31,32)/b12-11+	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	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica (CSIC) Curated by ChEMBL					Assay Description Inhibitory effect against phosphorylation of [methyl-3H]dThd by Thymidine Kinase 2 (TK-2)				J Med Chem 45: 4254-63 (2002) BindingDB Entry DOI: 10.7270/Q2GQ6ZGB
					More data for this Ligand-Target Pair