BDBM50350143 CHEMBL1814084

SMILES: Cc1cccc2C(=O)N(C(=O)c12)c1cccc2[nH]ccc12

InChI Key: InChIKey=VZLZJPCGUVOZIW-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 = 50350143   

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 Synthase (TS) (Lactobacillus casei)	BDBM50350143 (CHEMBL1814084) Show SMILES Cc1cccc2C(=O)N(C(=O)c12)c1cccc2[nH]ccc12 Show InChI InChI=1S/C17H12N2O2/c1-10-4-2-5-12-15(10)17(21)19(16(12)20)14-7-3-6-13-11(14)8-9-18-13/h2-9,18H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition of Lactobacillus casei thymidylate synthase using N5,N10-methylene tetrahydrofolate by chromogenic assay				J Med Chem 54: 5454-67 (2011) Article DOI: 10.1021/jm2005018 BindingDB Entry DOI: 10.7270/Q2VH5P6D
					More data for this Ligand-Target Pair				3D Structure (docked)
Thymidylate synthase (Enterococcus faecalis)	BDBM50350143 (CHEMBL1814084) Show SMILES Cc1cccc2C(=O)N(C(=O)c12)c1cccc2[nH]ccc12 Show InChI InChI=1S/C17H12N2O2/c1-10-4-2-5-12-15(10)17(21)19(16(12)20)14-7-3-6-13-11(14)8-9-18-13/h2-9,18H,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition of Enterococcus faecalis thymidylate synthase using N5,N10-methylene tetrahydrofolate by chromogenic assay				J Med Chem 54: 5454-67 (2011) Article DOI: 10.1021/jm2005018 BindingDB Entry DOI: 10.7270/Q2VH5P6D
					More data for this Ligand-Target Pair