BDBM50131914 Phosphoric acid mono-[3-aminomethyl-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethyl] ester

SMILES: Cc1cn([C@H]2C[C@H](CN)[C@@H](COP([O-])([O-])=O)O2)c(=O)[nH]c1=O

InChI Key: InChIKey=PUVBLTZKPNZGIZ-IWSPIJDZSA-L

Data: 3 KI

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 = 50131914   

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))	BDBM50131914 (Phosphoric acid mono-[3-aminomethyl-5-(5-methyl-2,...) Show SMILES Cc1cn([C@H]2C[C@H](CN)[C@@H](COP([O-])([O-])=O)O2)c(=O)[nH]c1=O Show InChI InChI=1S/C11H18N3O7P/c1-6-4-14(11(16)13-10(6)15)9-2-7(3-12)8(21-9)5-20-22(17,18)19/h4,7-9H,2-3,5,12H2,1H3,(H,13,15,16)(H2,17,18,19)/p-2/t7-,8-,9-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description In Vitro inhibition of Thymidine Monophosphatase Kinase (TMPKh)				J Med Chem 46: 3811-21 (2003) Article DOI: 10.1021/jm021108n BindingDB Entry DOI: 10.7270/Q2MS3TGG
					More data for this Ligand-Target Pair
Thymidylate kinase (Mycobacterium tuberculosis)	BDBM50131914 (Phosphoric acid mono-[3-aminomethyl-5-(5-methyl-2,...) Show SMILES Cc1cn([C@H]2C[C@H](CN)[C@@H](COP([O-])([O-])=O)O2)c(=O)[nH]c1=O Show InChI InChI=1S/C11H18N3O7P/c1-6-4-14(11(16)13-10(6)15)9-2-7(3-12)8(21-9)5-20-22(17,18)19/h4,7-9H,2-3,5,12H2,1H3,(H,13,15,16)(H2,17,18,19)/p-2/t7-,8-,9-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.05E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyushu Institute of Technology Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis thymidine monophosphate kinase				Eur J Med Chem 60: 333-9 (2013) Article DOI: 10.1016/j.ejmech.2012.12.012 BindingDB Entry DOI: 10.7270/Q2DZ09MS
					More data for this Ligand-Target Pair				3D Structure (docked)
Thymidylate kinase (Mycobacterium tuberculosis)	BDBM50131914 (Phosphoric acid mono-[3-aminomethyl-5-(5-methyl-2,...) Show SMILES Cc1cn([C@H]2C[C@H](CN)[C@@H](COP([O-])([O-])=O)O2)c(=O)[nH]c1=O Show InChI InChI=1S/C11H18N3O7P/c1-6-4-14(11(16)13-10(6)15)9-2-7(3-12)8(21-9)5-20-22(17,18)19/h4,7-9H,2-3,5,12H2,1H3,(H,13,15,16)(H2,17,18,19)/p-2/t7-,8-,9-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.05E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description In Vitro inhibition of Thymidine Monophosphatase Kinase of Mycobacterium tuberculosis (TMPKm)				J Med Chem 46: 3811-21 (2003) Article DOI: 10.1021/jm021108n BindingDB Entry DOI: 10.7270/Q2MS3TGG
					More data for this Ligand-Target Pair				3D Structure (docked)