BDBM50100255 2-Amino-5-[(3,5-dimethoxy-phenylamino)-methyl]-3,7-dihydro-pyrrolo[2,3-d]pyrimidin-4-one::CHEMBL64785

SMILES: COc1cc(NCc2c[nH]c3nc(N)[nH]c(=O)c23)cc(OC)c1

InChI Key: InChIKey=QVARVZLXRYYLIY-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50100255   

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) (Toxoplasma gondii)	BDBM50100255 (2-Amino-5-[(3,5-dimethoxy-phenylamino)-methyl]-3,7...) Show SMILES COc1cc(NCc2c[nH]c3nc(N)[nH]c(=O)c23)cc(OC)c1 Show InChI InChI=1S/C15H17N5O3/c1-22-10-3-9(4-11(5-10)23-2)17-6-8-7-18-13-12(8)14(21)20-15(16)19-13/h3-5,7,17H,6H2,1-2H3,(H4,16,18,19,20,21)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory activity against Toxoplasma gondii dihydrofolate reductase				J Med Chem 44: 1993-2003 (2001) BindingDB Entry DOI: 10.7270/Q2CJ8F6N
					More data for this Ligand-Target Pair
Dihydrofolate Reductase (DHFR) (Pneumocystis carinii)	BDBM50100255 (2-Amino-5-[(3,5-dimethoxy-phenylamino)-methyl]-3,7...) Show SMILES COc1cc(NCc2c[nH]c3nc(N)[nH]c(=O)c23)cc(OC)c1 Show InChI InChI=1S/C15H17N5O3/c1-22-10-3-9(4-11(5-10)23-2)17-6-8-7-18-13-12(8)14(21)20-15(16)19-13/h3-5,7,17H,6H2,1-2H3,(H4,16,18,19,20,21)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory activity against Pneumocystis carinii dihydrofolate reductase				J Med Chem 44: 1993-2003 (2001) BindingDB Entry DOI: 10.7270/Q2CJ8F6N
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50100255 (2-Amino-5-[(3,5-dimethoxy-phenylamino)-methyl]-3,7...) Show SMILES COc1cc(NCc2c[nH]c3nc(N)[nH]c(=O)c23)cc(OC)c1 Show InChI InChI=1S/C15H17N5O3/c1-22-10-3-9(4-11(5-10)23-2)17-6-8-7-18-13-12(8)14(21)20-15(16)19-13/h3-5,7,17H,6H2,1-2H3,(H4,16,18,19,20,21)	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	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of rat liver dihydrofolate reductase				J Med Chem 44: 1993-2003 (2001) BindingDB Entry DOI: 10.7270/Q2CJ8F6N
					More data for this Ligand-Target Pair