BDBM50028137 2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-pentanedioic acid 5-dodecyl ester::CHEMBL351765

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

InChI Key: InChIKey=CGFDQUZVNVHCCB-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 = 50028137   

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))	BDBM50028137 (2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-ami...) Show SMILES CCCCCCCCCCCCOC(=O)CCC(NC(=O)c1ccc(cc1)N(C)Cc1cnc2nc(N)nc(N)c2n1)C(O)=O Show InChI InChI=1S/C32H46N8O5/c1-3-4-5-6-7-8-9-10-11-12-19-45-26(41)18-17-25(31(43)44)37-30(42)22-13-15-24(16-14-22)40(2)21-23-20-35-29-27(36-23)28(33)38-32(34)39-29/h13-16,20,25H,3-12,17-19,21H2,1-2H3,(H,37,42)(H,43,44)(H4,33,34,35,38,39)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	34	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
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