BDBM50231342 CHEMBL118750

SMILES: [H][C@@](CCC(O)=O)(NC(=O)c1ccc(cc1)S(=O)(=O)Nc1ccc2ccc3nc(N)nc(O)c3c2c1)C(O)=O

InChI Key: InChIKey=ZKZXIYNNIUIQOE-SFHVURJKSA-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 = 50231342   

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/GAR transformylase/AICAR transformylase (Homo sapiens (Human))	BDBM50231342 (CHEMBL118750) Show SMILES [H][C@@](CCC(O)=O)(NC(=O)c1ccc(cc1)S(=O)(=O)Nc1ccc2ccc3nc(N)nc(O)c3c2c1)C(O)=O Show InChI InChI=1S/C24H21N5O8S/c25-24-27-17-8-4-12-1-5-14(11-16(12)20(17)22(33)28-24)29-38(36,37)15-6-2-13(3-7-15)21(32)26-18(23(34)35)9-10-19(30)31/h1-8,11,18,29H,9-10H2,(H,26,32)(H,30,31)(H,34,35)(H3,25,27,28,33)/t18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wellcome Research Laboratories Curated by ChEMBL					Assay Description Inhibition of purified human thymidylate synthase (TS) isolated from an Escherichia coli harboring a plasmid with thy A gene cloned from SV40 transfo...				J Med Chem 36: 3464-71 (1993) BindingDB Entry DOI: 10.7270/Q2K0739T
					More data for this Ligand-Target Pair