BDBM50408125 CHEMBL288615

SMILES: CN([C@@H](CCC(O)=O)C(O)=O)C(=O)[C@H](CCC(O)=O)NC(=O)c1ccc(cc1)N(CC#C)Cc1ccc2nc(C)[nH]c(=O)c2c1

InChI Key: InChIKey=UEOHFABEMIXPIA-DQEYMECFSA-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 = 50408125   

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 (Mus musculus)	BDBM50408125 (CHEMBL288615) Show SMILES CN([C@@H](CCC(O)=O)C(O)=O)C(=O)[C@H](CCC(O)=O)NC(=O)c1ccc(cc1)N(CC#C)Cc1ccc2nc(C)[nH]c(=O)c2c1 Show InChI InChI=1S/C31H33N5O9/c1-4-15-36(17-19-5-10-23-22(16-19)29(42)33-18(2)32-23)21-8-6-20(7-9-21)28(41)34-24(11-13-26(37)38)30(43)35(3)25(31(44)45)12-14-27(39)40/h1,5-10,16,24-25H,11-15,17H2,2-3H3,(H,34,41)(H,37,38)(H,39,40)(H,44,45)(H,32,33,42)/t24-,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of Thymidylate Synthase(TS) from mouse L1210 cells				J Med Chem 40: 1495-510 (1997) Article DOI: 10.1021/jm960878u BindingDB Entry DOI: 10.7270/Q2862HP3
					More data for this Ligand-Target Pair