BDBM50028134 2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-pentanedioic acid 1-hexadecyl ester::CHEMBL157083

SMILES: CCCCCCCCCCCCCCCCOC(=O)C(CCC(O)=O)NC(=O)c1ccc(cc1)N(C)Cc1cnc2nc(N)nc(N)c2n1

InChI Key: InChIKey=FTDCSOSCTWELPA-UHFFFAOYSA-N

Data: 1 IC50

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 = 50028134   

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
Dihydrofolate reductase (DHFR) (Bos taurus (Cattle))	BDBM50028134 (2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-ami...) Show SMILES CCCCCCCCCCCCCCCCOC(=O)C(CCC(O)=O)NC(=O)c1ccc(cc1)N(C)Cc1cnc2nc(N)nc(N)c2n1 Show InChI InChI=1S/C36H54N8O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-49-35(48)29(21-22-30(45)46)41-34(47)26-17-19-28(20-18-26)44(2)25-27-24-39-33-31(40-27)32(37)42-36(38)43-33/h17-20,24,29H,3-16,21-23,25H2,1-2H3,(H,41,47)(H,45,46)(H4,37,38,39,42,43)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated in vitro for its ability to inhibit the Dihydrofolate reductase extracted from beef liver.				J Med Chem 27: 605-9 (1984) BindingDB Entry DOI: 10.7270/Q29G5KSG
					More data for this Ligand-Target Pair