BDBM50110764 5-(3,5-Dibromo-4-ethoxy-phenyl)-6-ethyl-pyrimidine-2,4-diamine::CHEMBL22271

SMILES: CCOc1c(Br)cc(cc1Br)-c1c(N)nc(N)nc1CC

InChI Key: InChIKey=HWVJYOCRGAJBRB-UHFFFAOYSA-N

Data: 4 KI  1 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 5 hits for monomerid = 50110764   

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-Thymidylate Synthase (DHFR-TS) Mutant KICB1 (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50110764 (5-(3,5-Dibromo-4-ethoxy-phenyl)-6-ethyl-pyrimidine...) Show SMILES CCOc1c(Br)cc(cc1Br)-c1c(N)nc(N)nc1CC Show InChI InChI=1S/C14H16Br2N4O/c1-3-10-11(13(17)20-14(18)19-10)7-5-8(15)12(21-4-2)9(16)6-7/h5-6H,3-4H2,1-2H3,(H4,17,18,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Genetic Engineering and Biotechnology Curated by ChEMBL					Assay Description Inhibition of the wild-type dihydrofolate reductase (DHFR)				J Med Chem 45: 1244-52 (2002) BindingDB Entry DOI: 10.7270/Q2Z89BQ1
					More data for this Ligand-Target Pair
Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1 (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50110764 (5-(3,5-Dibromo-4-ethoxy-phenyl)-6-ethyl-pyrimidine...) Show SMILES CCOc1c(Br)cc(cc1Br)-c1c(N)nc(N)nc1CC Show InChI InChI=1S/C14H16Br2N4O/c1-3-10-11(13(17)20-14(18)19-10)7-5-8(15)12(21-4-2)9(16)6-7/h5-6H,3-4H2,1-2H3,(H4,17,18,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition constant against Plasmodium falciparum dihydrofolate reductase				J Med Chem 47: 4258-67 (2004) Checked by Author Article DOI: 10.1021/jm040769c BindingDB Entry DOI: 10.7270/Q2HH6JKZ
					More data for this Ligand-Target Pair
Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1 (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50110764 (5-(3,5-Dibromo-4-ethoxy-phenyl)-6-ethyl-pyrimidine...) Show SMILES CCOc1c(Br)cc(cc1Br)-c1c(N)nc(N)nc1CC Show InChI InChI=1S/C14H16Br2N4O/c1-3-10-11(13(17)20-14(18)19-10)7-5-8(15)12(21-4-2)9(16)6-7/h5-6H,3-4H2,1-2H3,(H4,17,18,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	415	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Genetic Engineering and Biotechnology Curated by ChEMBL					Assay Description Inhibition of the S108N mutant of dihydrofolate reductase (DHFR)				J Med Chem 45: 1244-52 (2002) BindingDB Entry DOI: 10.7270/Q2Z89BQ1
					More data for this Ligand-Target Pair
Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1 (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50110764 (5-(3,5-Dibromo-4-ethoxy-phenyl)-6-ethyl-pyrimidine...) Show SMILES CCOc1c(Br)cc(cc1Br)-c1c(N)nc(N)nc1CC Show InChI InChI=1S/C14H16Br2N4O/c1-3-10-11(13(17)20-14(18)19-10)7-5-8(15)12(21-4-2)9(16)6-7/h5-6H,3-4H2,1-2H3,(H4,17,18,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	535	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Genetic Engineering and Biotechnology Curated by ChEMBL					Assay Description Inhibition of the C59R+S108N mutant of dihydrofolate reductase (DHFR)				J Med Chem 45: 1244-52 (2002) BindingDB Entry DOI: 10.7270/Q2Z89BQ1
					More data for this Ligand-Target Pair
Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1 (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50110764 (5-(3,5-Dibromo-4-ethoxy-phenyl)-6-ethyl-pyrimidine...) Show SMILES CCOc1c(Br)cc(cc1Br)-c1c(N)nc(N)nc1CC Show InChI InChI=1S/C14H16Br2N4O/c1-3-10-11(13(17)20-14(18)19-10)7-5-8(15)12(21-4-2)9(16)6-7/h5-6H,3-4H2,1-2H3,(H4,17,18,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.74E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Genetic Engineering and Biotechnology Curated by ChEMBL					Assay Description Antiplasmodial activity (IC50) against Plasmodium falciparum Clone with mutant enzyme C59R+S108N- pfDihydrofolate reductase (K1CB1)				J Med Chem 45: 1244-52 (2002) BindingDB Entry DOI: 10.7270/Q2Z89BQ1
					More data for this Ligand-Target Pair