BDBM50041933 5-Methyl-6-[2-(3,4,5-trimethoxy-phenyl)-ethyl]-thieno[2,3-d]pyrimidine-2,4-diamine::CHEMBL322861

SMILES: COc1cc(CCc2sc3nc(N)nc(N)c3c2C)cc(OC)c1OC

InChI Key: InChIKey=WRLXLJUKEGXYMH-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50041933   

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 (Rattus norvegicus (rat))	BDBM50041933 (5-Methyl-6-[2-(3,4,5-trimethoxy-phenyl)-ethyl]-thi...) Show SMILES COc1cc(CCc2sc3nc(N)nc(N)c3c2C)cc(OC)c1OC Show InChI InChI=1S/C18H22N4O3S/c1-9-13(26-17-14(9)16(19)21-18(20)22-17)6-5-10-7-11(23-2)15(25-4)12(8-10)24-3/h7-8H,5-6H2,1-4H3,(H4,19,20,21,22)	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	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of rat liver dihydrofolate reductase.				J Med Chem 36: 3103-12 (1993) BindingDB Entry DOI: 10.7270/Q23X85PX
					More data for this Ligand-Target Pair
Bacterial dihydrofolate reductase (Escherichia coli)	BDBM50041933 (5-Methyl-6-[2-(3,4,5-trimethoxy-phenyl)-ethyl]-thi...) Show SMILES COc1cc(CCc2sc3nc(N)nc(N)c3c2C)cc(OC)c1OC Show InChI InChI=1S/C18H22N4O3S/c1-9-13(26-17-14(9)16(19)21-18(20)22-17)6-5-10-7-11(23-2)15(25-4)12(8-10)24-3/h7-8H,5-6H2,1-4H3,(H4,19,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of dihydrofolate reductase in pneumocystis carinii.				J Med Chem 36: 3103-12 (1993) BindingDB Entry DOI: 10.7270/Q23X85PX
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50041933 (5-Methyl-6-[2-(3,4,5-trimethoxy-phenyl)-ethyl]-thi...) Show SMILES COc1cc(CCc2sc3nc(N)nc(N)c3c2C)cc(OC)c1OC Show InChI InChI=1S/C18H22N4O3S/c1-9-13(26-17-14(9)16(19)21-18(20)22-17)6-5-10-7-11(23-2)15(25-4)12(8-10)24-3/h7-8H,5-6H2,1-4H3,(H4,19,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Tested for inhibitory activity against dihydrofolate reductase in human				J Med Chem 36: 3103-12 (1993) BindingDB Entry DOI: 10.7270/Q23X85PX
					More data for this Ligand-Target Pair
Dihydrofolate Reductase (DHFR) (Escherichia coli)	BDBM50041933 (5-Methyl-6-[2-(3,4,5-trimethoxy-phenyl)-ethyl]-thi...) Show SMILES COc1cc(CCc2sc3nc(N)nc(N)c3c2C)cc(OC)c1OC Show InChI InChI=1S/C18H22N4O3S/c1-9-13(26-17-14(9)16(19)21-18(20)22-17)6-5-10-7-11(23-2)15(25-4)12(8-10)24-3/h7-8H,5-6H2,1-4H3,(H4,19,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of dihydrofolate reductase in Toxoplasma gondii.				J Med Chem 36: 3103-12 (1993) BindingDB Entry DOI: 10.7270/Q23X85PX
					More data for this Ligand-Target Pair