BDBM50200992 4-[1,1-(diphenyl)-1-(Z)-[4-(thymin-1-yl)but-2-enoxy]methyl]-N-methylbenzamide::CHEMBL385954

SMILES: CNC(=O)c1ccc(cc1)C(OC\C=C/Cn1cc(C)c(=O)[nH]c1=O)(c1ccccc1)c1ccccc1

InChI Key: InChIKey=UOCXTBVLUKRGQL-KTKRTIGZSA-N

Data: 3 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 3 hits for monomerid = 50200992   

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
Deoxynucleoside kinase (Drosophila melanogaster)	BDBM50200992 (4-[1,1-(diphenyl)-1-(Z)-[4-(thymin-1-yl)but-2-enox...) Show SMILES CNC(=O)c1ccc(cc1)C(OC\C=C/Cn1cc(C)c(=O)[nH]c1=O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C30H29N3O4/c1-22-21-33(29(36)32-27(22)34)19-9-10-20-37-30(24-11-5-3-6-12-24,25-13-7-4-8-14-25)26-17-15-23(16-18-26)28(35)31-2/h3-18,21H,19-20H2,1-2H3,(H,31,35)(H,32,34,36)/b10-9-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (C.S.I.C.) Curated by ChEMBL					Assay Description Inhibition of [3H]methyl dThd phosphorylation by Drosophila melanogaster dNK				J Med Chem 49: 7766-73 (2006) Article DOI: 10.1021/jm0610550 BindingDB Entry DOI: 10.7270/Q2K073XW
					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)	BDBM50200992 (4-[1,1-(diphenyl)-1-(Z)-[4-(thymin-1-yl)but-2-enox...) Show SMILES CNC(=O)c1ccc(cc1)C(OC\C=C/Cn1cc(C)c(=O)[nH]c1=O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C30H29N3O4/c1-22-21-33(29(36)32-27(22)34)19-9-10-20-37-30(24-11-5-3-6-12-24,25-13-7-4-8-14-25)26-17-15-23(16-18-26)28(35)31-2/h3-18,21H,19-20H2,1-2H3,(H,31,35)(H,32,34,36)/b10-9-	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (C.S.I.C.) Curated by ChEMBL					Assay Description Inhibition of [3H]methyl dThd phosphorylation by HSV1 TK				J Med Chem 49: 7766-73 (2006) Article DOI: 10.1021/jm0610550 BindingDB Entry DOI: 10.7270/Q2K073XW
					More data for this Ligand-Target Pair
Thymidine kinase 2, mitochondrial (Homo sapiens (Human))	BDBM50200992 (4-[1,1-(diphenyl)-1-(Z)-[4-(thymin-1-yl)but-2-enox...) Show SMILES CNC(=O)c1ccc(cc1)C(OC\C=C/Cn1cc(C)c(=O)[nH]c1=O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C30H29N3O4/c1-22-21-33(29(36)32-27(22)34)19-9-10-20-37-30(24-11-5-3-6-12-24,25-13-7-4-8-14-25)26-17-15-23(16-18-26)28(35)31-2/h3-18,21H,19-20H2,1-2H3,(H,31,35)(H,32,34,36)/b10-9-	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (C.S.I.C.) Curated by ChEMBL					Assay Description Inhibition of [3H]methyl dThd phosphorylation by TK2				J Med Chem 49: 7766-73 (2006) Article DOI: 10.1021/jm0610550 BindingDB Entry DOI: 10.7270/Q2K073XW
					More data for this Ligand-Target Pair