BDBM50110765 5-(2,4-Dichloro-phenyl)-6-ethyl-pyrimidine-2,4-diamine::CHEMBL22357

SMILES: CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1Cl

InChI Key: InChIKey=FALVLEJFCVFMDS-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 = 50110765   

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))	BDBM50110765 (5-(2,4-Dichloro-phenyl)-6-ethyl-pyrimidine-2,4-dia...) Show SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1Cl |(16.23,-12.77,;16.23,-11.24,;14.87,-10.5,;13.58,-11.31,;12.22,-10.56,;10.9,-11.4,;12.16,-9.04,;13.48,-8.22,;13.45,-6.69,;14.84,-8.96,;16.13,-8.14,;16.1,-6.62,;17.39,-5.81,;18.75,-6.54,;20.1,-5.75,;18.81,-8.08,;17.49,-8.88,;17.49,-10.41,)| Show InChI InChI=1S/C12H12Cl2N4/c1-2-9-10(11(15)18-12(16)17-9)7-4-3-6(13)5-8(7)14/h3-5H,2H2,1H3,(H4,15,16,17,18)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	12.6	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				3D Structure (docked)
Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1 (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50110765 (5-(2,4-Dichloro-phenyl)-6-ethyl-pyrimidine-2,4-dia...) Show SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1Cl |(16.23,-12.77,;16.23,-11.24,;14.87,-10.5,;13.58,-11.31,;12.22,-10.56,;10.9,-11.4,;12.16,-9.04,;13.48,-8.22,;13.45,-6.69,;14.84,-8.96,;16.13,-8.14,;16.1,-6.62,;17.39,-5.81,;18.75,-6.54,;20.1,-5.75,;18.81,-8.08,;17.49,-8.88,;17.49,-10.41,)| Show InChI InChI=1S/C12H12Cl2N4/c1-2-9-10(11(15)18-12(16)17-9)7-4-3-6(13)5-8(7)14/h3-5H,2H2,1H3,(H4,15,16,17,18)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12.6	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				3D Structure (docked)
Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1 (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50110765 (5-(2,4-Dichloro-phenyl)-6-ethyl-pyrimidine-2,4-dia...) Show SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1Cl |(16.23,-12.77,;16.23,-11.24,;14.87,-10.5,;13.58,-11.31,;12.22,-10.56,;10.9,-11.4,;12.16,-9.04,;13.48,-8.22,;13.45,-6.69,;14.84,-8.96,;16.13,-8.14,;16.1,-6.62,;17.39,-5.81,;18.75,-6.54,;20.1,-5.75,;18.81,-8.08,;17.49,-8.88,;17.49,-10.41,)| Show InChI InChI=1S/C12H12Cl2N4/c1-2-9-10(11(15)18-12(16)17-9)7-4-3-6(13)5-8(7)14/h3-5H,2H2,1H3,(H4,15,16,17,18)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.14E+3	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				3D Structure (docked)
Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1 (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50110765 (5-(2,4-Dichloro-phenyl)-6-ethyl-pyrimidine-2,4-dia...) Show SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1Cl |(16.23,-12.77,;16.23,-11.24,;14.87,-10.5,;13.58,-11.31,;12.22,-10.56,;10.9,-11.4,;12.16,-9.04,;13.48,-8.22,;13.45,-6.69,;14.84,-8.96,;16.13,-8.14,;16.1,-6.62,;17.39,-5.81,;18.75,-6.54,;20.1,-5.75,;18.81,-8.08,;17.49,-8.88,;17.49,-10.41,)| Show InChI InChI=1S/C12H12Cl2N4/c1-2-9-10(11(15)18-12(16)17-9)7-4-3-6(13)5-8(7)14/h3-5H,2H2,1H3,(H4,15,16,17,18)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.17E+3	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				3D Structure (docked)
Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1 (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50110765 (5-(2,4-Dichloro-phenyl)-6-ethyl-pyrimidine-2,4-dia...) Show SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1Cl |(16.23,-12.77,;16.23,-11.24,;14.87,-10.5,;13.58,-11.31,;12.22,-10.56,;10.9,-11.4,;12.16,-9.04,;13.48,-8.22,;13.45,-6.69,;14.84,-8.96,;16.13,-8.14,;16.1,-6.62,;17.39,-5.81,;18.75,-6.54,;20.1,-5.75,;18.81,-8.08,;17.49,-8.88,;17.49,-10.41,)| Show InChI InChI=1S/C12H12Cl2N4/c1-2-9-10(11(15)18-12(16)17-9)7-4-3-6(13)5-8(7)14/h3-5H,2H2,1H3,(H4,15,16,17,18)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.25E+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				3D Structure (docked)