BDBM50350128 CHEMBL1814083

SMILES: Cc1cccc2C(=O)N(C(=O)c12)c1cccc(c1)C(O)=O

InChI Key: InChIKey=RWZVTXBSVCIXKL-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 = 50350128   

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 (Homo sapiens (Human))	BDBM50350128 (CHEMBL1814083) Show SMILES Cc1cccc2C(=O)N(C(=O)c12)c1cccc(c1)C(O)=O Show InChI InChI=1S/C16H11NO4/c1-9-4-2-7-12-13(9)15(19)17(14(12)18)11-6-3-5-10(8-11)16(20)21/h2-8H,1H3,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.00E+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 human 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
Thymidylate Synthase (TS) (Lactobacillus casei)	BDBM50350128 (CHEMBL1814083) Show SMILES Cc1cccc2C(=O)N(C(=O)c12)c1cccc(c1)C(O)=O Show InChI InChI=1S/C16H11NO4/c1-9-4-2-7-12-13(9)15(19)17(14(12)18)11-6-3-5-10(8-11)16(20)21/h2-8H,1H3,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.90E+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)