BDBM50023714 2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-formyl-amino]-benzoylamino}-5-(3,4-dichloro-benzoylamino)-pentanoic acid::CHEMBL405237

SMILES: Nc1nc(N)c2nc(CN(C=O)c3ccc(cc3)C(=O)NC(CCCNC(=O)c3ccc(Cl)c(Cl)c3)C(O)=O)cnc2n1

InChI Key: InChIKey=FGQAWUDZBCAAOH-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 = 50023714   

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 (Mus musculus (Mouse))	BDBM50023714 (2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-formyl-ami...) Show SMILES Nc1nc(N)c2nc(CN(C=O)c3ccc(cc3)C(=O)NC(CCCNC(=O)c3ccc(Cl)c(Cl)c3)C(O)=O)cnc2n1 Show InChI InChI=1S/C27H25Cl2N9O5/c28-18-8-5-15(10-19(18)29)24(40)32-9-1-2-20(26(42)43)35-25(41)14-3-6-17(7-4-14)38(13-39)12-16-11-33-23-21(34-16)22(30)36-27(31)37-23/h3-8,10-11,13,20H,1-2,9,12H2,(H,32,40)(H,35,41)(H,42,43)(H4,30,31,33,36,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of dihydrofolate reductase (DHFR) from murine leukemia cells				J Med Chem 31: 1332-7 (1988) BindingDB Entry DOI: 10.7270/Q2697454
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