BDBM50100259 2-Amino-5-{[(2,5-dimethoxy-phenyl)-methyl-amino]-methyl}-3,7-dihydro-pyrrolo[2,3-d]pyrimidin-4-one::CHEMBL61927

SMILES: COc1ccc(OC)c(c1)N(C)Cc1c[nH]c2nc(N)[nH]c(=O)c12

InChI Key: InChIKey=ICYHWLGVKBLKBO-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 = 50100259   

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)	BDBM50100259 (2-Amino-5-{[(2,5-dimethoxy-phenyl)-methyl-amino]-m...) Show SMILES COc1ccc(OC)c(c1)N(C)Cc1c[nH]c2nc(N)[nH]c(=O)c12 Show InChI InChI=1S/C16H19N5O3/c1-21(11-6-10(23-2)4-5-12(11)24-3)8-9-7-18-14-13(9)15(22)20-16(17)19-14/h4-7H,8H2,1-3H3,(H4,17,18,19,20,22)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.03E+4	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 (Rattus norvegicus (rat))	BDBM50100259 (2-Amino-5-{[(2,5-dimethoxy-phenyl)-methyl-amino]-m...) Show SMILES COc1ccc(OC)c(c1)N(C)Cc1c[nH]c2nc(N)[nH]c(=O)c12 Show InChI InChI=1S/C16H19N5O3/c1-21(11-6-10(23-2)4-5-12(11)24-3)8-9-7-18-14-13(9)15(22)20-16(17)19-14/h4-7H,8H2,1-3H3,(H4,17,18,19,20,22)	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	5.60E+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
Dihydrofolate Reductase (DHFR) (Pneumocystis carinii)	BDBM50100259 (2-Amino-5-{[(2,5-dimethoxy-phenyl)-methyl-amino]-m...) Show SMILES COc1ccc(OC)c(c1)N(C)Cc1c[nH]c2nc(N)[nH]c(=O)c12 Show InChI InChI=1S/C16H19N5O3/c1-21(11-6-10(23-2)4-5-12(11)24-3)8-9-7-18-14-13(9)15(22)20-16(17)19-14/h4-7H,8H2,1-3H3,(H4,17,18,19,20,22)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.60E+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