BDBM50332933 CHEMBL1631396::N-(1-(4-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)but-2-enyl)-2-oxo-2,4,5,6-tetrahydro-1H-imidazo[4,5,1-ij]quinolin-5-yl)acetamide

SMILES: CC(=O)NC1Cc2cccc3n(C\C=C\Cn4cc(C)c(=O)[nH]c4=O)c(=O)n(C1)c23

InChI Key: InChIKey=LUHPFFVCCHBAKX-ONEGZZNKSA-N

Data: 1 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 1 hit for monomerid = 50332933   

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)	BDBM50332933 (CHEMBL1631396 | N-(1-(4-(5-methyl-2,4-dioxo-3,4-di...) Show SMILES CC(=O)NC1Cc2cccc3n(C\C=C\Cn4cc(C)c(=O)[nH]c4=O)c(=O)n(C1)c23 Show InChI InChI=1S/C21H23N5O4/c1-13-11-24(20(29)23-19(13)28)8-3-4-9-25-17-7-5-6-15-10-16(22-14(2)27)12-26(18(15)17)21(25)30/h3-7,11,16H,8-10,12H2,1-2H3,(H,22,27)(H,23,28,29)/b4-3+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica (CSIC) Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis Thymidine monophosphate kinase by spectrophotometry				Eur J Med Chem 45: 5910-8 (2010) Article DOI: 10.1016/j.ejmech.2010.09.056 BindingDB Entry DOI: 10.7270/Q2PN95WH
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