BDBM50164414 6-(4-((5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)phenyl)hexanoic acid::6-[4-(5-Methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-ylmethyl)-phenyl]-hexanoic acid::CHEMBL190125

SMILES: Cc1cn(Cc2ccc(CCCCCC(O)=O)cc2)c(=O)[nH]c1=O

InChI Key: InChIKey=JAEFDWNQYNAJNM-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50164414   

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
Thymidylate kinase (Mycobacterium tuberculosis)	BDBM50164414 (6-(4-((5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2...) Show SMILES Cc1cn(Cc2ccc(CCCCCC(O)=O)cc2)c(=O)[nH]c1=O Show InChI InChI=1S/C18H22N2O4/c1-13-11-20(18(24)19-17(13)23)12-15-9-7-14(8-10-15)5-3-2-4-6-16(21)22/h7-11H,2-6,12H2,1H3,(H,21,22)(H,19,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Binding affinity towards mycobacterium tuberculosis thymidine monophosphate kinase				J Med Chem 48: 2457-68 (2005) Article DOI: 10.1021/jm0492296 BindingDB Entry DOI: 10.7270/Q27P905B
					More data for this Ligand-Target Pair
Thymidylate kinase (Mycobacterium tuberculosis)	BDBM50164414 (6-(4-((5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2...) Show SMILES Cc1cn(Cc2ccc(CCCCCC(O)=O)cc2)c(=O)[nH]c1=O Show InChI InChI=1S/C18H22N2O4/c1-13-11-20(18(24)19-17(13)23)12-15-9-7-14(8-10-15)5-3-2-4-6-16(21)22/h7-11H,2-6,12H2,1H3,(H,21,22)(H,19,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant TMPK				Bioorg Med Chem 16: 6075-85 (2008) Article DOI: 10.1016/j.bmc.2008.04.045 BindingDB Entry DOI: 10.7270/Q2BR8RZ0
					More data for this Ligand-Target Pair