BDBM50063482 5-[3-(3,4,5-Trimethoxy-phenyl)-propyl]-6,7-dihydro-5H-cyclopentapyrimidine-2,4-diamine::CHEMBL176332

SMILES: COc1cc(CCCC2CCc3nc(N)nc(N)c23)cc(OC)c1OC

InChI Key: InChIKey=KMGSMVQZXMWFBL-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 = 50063482   

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
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50063482 (5-[3-(3,4,5-Trimethoxy-phenyl)-propyl]-6,7-dihydro...) Show SMILES COc1cc(CCCC2CCc3nc(N)nc(N)c23)cc(OC)c1OC Show InChI InChI=1S/C19H26N4O3/c1-24-14-9-11(10-15(25-2)17(14)26-3)5-4-6-12-7-8-13-16(12)18(20)23-19(21)22-13/h9-10,12H,4-8H2,1-3H3,(H4,20,21,22,23)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Compound was tested for inhibition activity against toxoplasma gondii (T. gondii) Dihydrofolate reductase				J Med Chem 41: 913-8 (1998) Article DOI: 10.1021/jm970614n BindingDB Entry DOI: 10.7270/Q2BR8R9G
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50063482 (5-[3-(3,4,5-Trimethoxy-phenyl)-propyl]-6,7-dihydro...) Show SMILES COc1cc(CCCC2CCc3nc(N)nc(N)c23)cc(OC)c1OC Show InChI InChI=1S/C19H26N4O3/c1-24-14-9-11(10-15(25-2)17(14)26-3)5-4-6-12-7-8-13-16(12)18(20)23-19(21)22-13/h9-10,12H,4-8H2,1-3H3,(H4,20,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Compound was tested for inhibition activity against rat liver lipophilic Dihydrofolate reductase (DHFR).				J Med Chem 41: 913-8 (1998) Article DOI: 10.1021/jm970614n BindingDB Entry DOI: 10.7270/Q2BR8R9G
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis carinii)	BDBM50063482 (5-[3-(3,4,5-Trimethoxy-phenyl)-propyl]-6,7-dihydro...) Show SMILES COc1cc(CCCC2CCc3nc(N)nc(N)c23)cc(OC)c1OC Show InChI InChI=1S/C19H26N4O3/c1-24-14-9-11(10-15(25-2)17(14)26-3)5-4-6-12-7-8-13-16(12)18(20)23-19(21)22-13/h9-10,12H,4-8H2,1-3H3,(H4,20,21,22,23)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Compound was tested for inhibition activity against pneumocystis carinii (P. carinii) Dihydrofolate reductase				J Med Chem 41: 913-8 (1998) Article DOI: 10.1021/jm970614n BindingDB Entry DOI: 10.7270/Q2BR8R9G
					More data for this Ligand-Target Pair