BDBM50014936 2-{4-[1-(2-Amino-4-hydroxy-5,6,7,8-tetrahydro-pyrido[2,3-d]pyrimidin-6-ylmethyl)-propyl]-benzoylamino}-pentanedioic acid::CHEMBL162414

SMILES: CCC(CC1CNc2nc(N)[nH]c(=O)c2C1)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O

InChI Key: InChIKey=QOBQCACCWAZPBR-UHFFFAOYSA-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 = 50014936   

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))	BDBM50014936 (2-{4-[1-(2-Amino-4-hydroxy-5,6,7,8-tetrahydro-pyri...) Show SMILES CCC(CC1CNc2nc(N)[nH]c(=O)c2C1)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O Show InChI InChI=1S/C23H29N5O6/c1-2-13(9-12-10-16-19(25-11-12)27-23(24)28-21(16)32)14-3-5-15(6-4-14)20(31)26-17(22(33)34)7-8-18(29)30/h3-6,12-13,17H,2,7-11H2,1H3,(H,26,31)(H,29,30)(H,33,34)(H4,24,25,27,28,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Inhibitory activity of Dihydrofolate reductase derived from L1210 cell line.				J Med Chem 33: 673-7 (1990) BindingDB Entry DOI: 10.7270/Q2T43S3F
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