BDBM50081909 5-(3-(benzyloxy)benzyl)pyrimidine-2,4-diamine::5-(3-Benzyloxy-benzyl)-pyrimidine-2,4-diamine::CHEMBL274031

SMILES: Nc1ncc(Cc2cccc(OCc3ccccc3)c2)c(N)n1

InChI Key: InChIKey=PUMGLGGVAIIWCB-UHFFFAOYSA-N

Data: 21 KI  7 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 28 hits for monomerid = 50081909   

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))	BDBM50081909 (5-(3-(benzyloxy)benzyl)pyrimidine-2,4-diamine | 5-...) Show SMILES Nc1ncc(Cc2cccc(OCc3ccccc3)c2)c(N)n1 Show InChI InChI=1S/C18H18N4O/c19-17-15(11-21-18(20)22-17)9-14-7-4-8-16(10-14)23-12-13-5-2-1-3-6-13/h1-8,10-11H,9,12H2,(H4,19,20,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.30	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 Inhibitory activity against wild-type dihydrofolate reductase (S108N DHFR)				J Med Chem 47: 345-54 (2004) Article DOI: 10.1021/jm0303352 BindingDB Entry DOI: 10.7270/Q237784Q
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50081909 (5-(3-(benzyloxy)benzyl)pyrimidine-2,4-diamine | 5-...) Show SMILES Nc1ncc(Cc2cccc(OCc3ccccc3)c2)c(N)n1 Show InChI InChI=1S/C18H18N4O/c19-17-15(11-21-18(20)22-17)9-14-7-4-8-16(10-14)23-12-13-5-2-1-3-6-13/h1-8,10-11H,9,12H2,(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	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of recombinant Dihydrofolate reductase from humans.				J Med Chem 42: 4300-12 (1999) BindingDB Entry DOI: 10.7270/Q21R6PQG
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50081909 (5-(3-(benzyloxy)benzyl)pyrimidine-2,4-diamine | 5-...) Show SMILES Nc1ncc(Cc2cccc(OCc3ccccc3)c2)c(N)n1 Show InChI InChI=1S/C18H18N4O/c19-17-15(11-21-18(20)22-17)9-14-7-4-8-16(10-14)23-12-13-5-2-1-3-6-13/h1-8,10-11H,9,12H2,(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	65	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of recombinant Dihydrofolate reductase from Leishmania major.				J Med Chem 42: 4300-12 (1999) BindingDB Entry DOI: 10.7270/Q21R6PQG
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM50081909 (5-(3-(benzyloxy)benzyl)pyrimidine-2,4-diamine | 5-...) Show SMILES Nc1ncc(Cc2cccc(OCc3ccccc3)c2)c(N)n1 Show InChI InChI=1S/C18H18N4O/c19-17-15(11-21-18(20)22-17)9-14-7-4-8-16(10-14)23-12-13-5-2-1-3-6-13/h1-8,10-11H,9,12H2,(H4,19,20,21,22)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	102	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound is evaluated for the inhibition of dihydrofolate reductase from Escherichia coli				J Med Chem 24: 538-44 (1981) BindingDB Entry DOI: 10.7270/Q2GF0WQM
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM50081909 (5-(3-(benzyloxy)benzyl)pyrimidine-2,4-diamine | 5-...) Show SMILES Nc1ncc(Cc2cccc(OCc3ccccc3)c2)c(N)n1 Show InChI InChI=1S/C18H18N4O/c19-17-15(11-21-18(20)22-17)9-14-7-4-8-16(10-14)23-12-13-5-2-1-3-6-13/h1-8,10-11H,9,12H2,(H4,19,20,21,22)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	102	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Medical University Curated by ChEMBL					Assay Description Apparent inhibitory (log 1/Ki) activity against Escherichia coli dihydrofolate reductase				J Med Chem 31: 366-70 (1988) BindingDB Entry DOI: 10.7270/Q2BV7JTC
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM50081909 (5-(3-(benzyloxy)benzyl)pyrimidine-2,4-diamine | 5-...) Show SMILES Nc1ncc(Cc2cccc(OCc3ccccc3)c2)c(N)n1 Show InChI InChI=1S/C18H18N4O/c19-17-15(11-21-18(20)22-17)9-14-7-4-8-16(10-14)23-12-13-5-2-1-3-6-13/h1-8,10-11H,9,12H2,(H4,19,20,21,22)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	102	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) from Escherichia coli (expressed as log 1/Kiapp)				J Med Chem 25: 777-84 (1982) BindingDB Entry DOI: 10.7270/Q2WH2S6T
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM50081909 (5-(3-(benzyloxy)benzyl)pyrimidine-2,4-diamine | 5-...) Show SMILES Nc1ncc(Cc2cccc(OCc3ccccc3)c2)c(N)n1 Show InChI InChI=1S/C18H18N4O/c19-17-15(11-21-18(20)22-17)9-14-7-4-8-16(10-14)23-12-13-5-2-1-3-6-13/h1-8,10-11H,9,12H2,(H4,19,20,21,22)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	102	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uniroyal Chemical Co., Inc. Curated by ChEMBL					Assay Description Inhibition constant against binding of Escherichia coli dihydrofolate reductase				J Med Chem 31: 1396-406 (1988) BindingDB Entry DOI: 10.7270/Q2P55QQJ
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Salmonella enterica subsp. enterica serovar Typhi)	BDBM50081909 (5-(3-(benzyloxy)benzyl)pyrimidine-2,4-diamine | 5-...) Show SMILES Nc1ncc(Cc2cccc(OCc3ccccc3)c2)c(N)n1 Show InChI InChI=1S/C18H18N4O/c19-17-15(11-21-18(20)22-17)9-14-7-4-8-16(10-14)23-12-13-5-2-1-3-6-13/h1-8,10-11H,9,12H2,(H4,19,20,21,22)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	102	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Inhibitory activity against Escherichia coli dihydrofolate reductase				J Med Chem 34: 46-54 (1991) BindingDB Entry DOI: 10.7270/Q2X92CH4
					More data for this Ligand-Target Pair
Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1 (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50081909 (5-(3-(benzyloxy)benzyl)pyrimidine-2,4-diamine | 5-...) Show SMILES Nc1ncc(Cc2cccc(OCc3ccccc3)c2)c(N)n1 Show InChI InChI=1S/C18H18N4O/c19-17-15(11-21-18(20)22-17)9-14-7-4-8-16(10-14)23-12-13-5-2-1-3-6-13/h1-8,10-11H,9,12H2,(H4,19,20,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	114	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 Inhibitory activity against double mutant dihydrofolate reductase (C59R+S108N DHFR)				J Med Chem 47: 345-54 (2004) Article DOI: 10.1021/jm0303352 BindingDB Entry DOI: 10.7270/Q237784Q
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50081909 (5-(3-(benzyloxy)benzyl)pyrimidine-2,4-diamine | 5-...) Show SMILES Nc1ncc(Cc2cccc(OCc3ccccc3)c2)c(N)n1 Show InChI InChI=1S/C18H18N4O/c19-17-15(11-21-18(20)22-17)9-14-7-4-8-16(10-14)23-12-13-5-2-1-3-6-13/h1-8,10-11H,9,12H2,(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	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of recombinant Dihydrofolate reductase from Trypanosoma cruzi.				J Med Chem 42: 4300-12 (1999) BindingDB Entry DOI: 10.7270/Q21R6PQG
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Bos taurus (Cattle))	BDBM50081909 (5-(3-(benzyloxy)benzyl)pyrimidine-2,4-diamine | 5-...) Show SMILES Nc1ncc(Cc2cccc(OCc3ccccc3)c2)c(N)n1 Show InChI InChI=1S/C18H18N4O/c19-17-15(11-21-18(20)22-17)9-14-7-4-8-16(10-14)23-12-13-5-2-1-3-6-13/h1-8,10-11H,9,12H2,(H4,19,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	295	n/a	n/a	n/a	n/a	n/a	n/a	7.2	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against bovine liver dihydrofolate reductase at pH 7.2.				J Med Chem 25: 435-40 (1982) BindingDB Entry DOI: 10.7270/Q2DF6TDD
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Bos taurus (Cattle))	BDBM50081909 (5-(3-(benzyloxy)benzyl)pyrimidine-2,4-diamine | 5-...) Show SMILES Nc1ncc(Cc2cccc(OCc3ccccc3)c2)c(N)n1 Show InChI InChI=1S/C18H18N4O/c19-17-15(11-21-18(20)22-17)9-14-7-4-8-16(10-14)23-12-13-5-2-1-3-6-13/h1-8,10-11H,9,12H2,(H4,19,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	295	n/a	n/a	n/a	n/a	n/a	n/a	7.2	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against bovine liver dihydrofolate reductase at pH 7.2.				J Med Chem 25: 435-40 (1982) BindingDB Entry DOI: 10.7270/Q2DF6TDD
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Bos taurus (Cattle))	BDBM50081909 (5-(3-(benzyloxy)benzyl)pyrimidine-2,4-diamine | 5-...) Show SMILES Nc1ncc(Cc2cccc(OCc3ccccc3)c2)c(N)n1 Show InChI InChI=1S/C18H18N4O/c19-17-15(11-21-18(20)22-17)9-14-7-4-8-16(10-14)23-12-13-5-2-1-3-6-13/h1-8,10-11H,9,12H2,(H4,19,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	295	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of dihydrofolate reductase from bovine liver				J Med Chem 24: 538-44 (1981) BindingDB Entry DOI: 10.7270/Q2GF0WQM
					More data for this Ligand-Target Pair
Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1 (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50081909 (5-(3-(benzyloxy)benzyl)pyrimidine-2,4-diamine | 5-...) Show SMILES Nc1ncc(Cc2cccc(OCc3ccccc3)c2)c(N)n1 Show InChI InChI=1S/C18H18N4O/c19-17-15(11-21-18(20)22-17)9-14-7-4-8-16(10-14)23-12-13-5-2-1-3-6-13/h1-8,10-11H,9,12H2,(H4,19,20,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	456	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 Inhibitory activity against quadruple mutant dihydrofolate reductase (N51I C59R S108N I164L DHFR)				J Med Chem 47: 345-54 (2004) Article DOI: 10.1021/jm0303352 BindingDB Entry DOI: 10.7270/Q237784Q
					More data for this Ligand-Target Pair
Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1 (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50081909 (5-(3-(benzyloxy)benzyl)pyrimidine-2,4-diamine | 5-...) Show SMILES Nc1ncc(Cc2cccc(OCc3ccccc3)c2)c(N)n1 Show InChI InChI=1S/C18H18N4O/c19-17-15(11-21-18(20)22-17)9-14-7-4-8-16(10-14)23-12-13-5-2-1-3-6-13/h1-8,10-11H,9,12H2,(H4,19,20,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	515	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 Inhibitory activity against triple mutant dihydrofolate reductase (C59R S108 NI164L DHFR)				J Med Chem 47: 345-54 (2004) Article DOI: 10.1021/jm0303352 BindingDB Entry DOI: 10.7270/Q237784Q
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Lactobacillus casei)	BDBM50081909 (5-(3-(benzyloxy)benzyl)pyrimidine-2,4-diamine | 5-...) Show SMILES Nc1ncc(Cc2cccc(OCc3ccccc3)c2)c(N)n1 Show InChI InChI=1S/C18H18N4O/c19-17-15(11-21-18(20)22-17)9-14-7-4-8-16(10-14)23-12-13-5-2-1-3-6-13/h1-8,10-11H,9,12H2,(H4,19,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	708	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Inhibitory activity against Lactobacillus casei dihydrofolate reductase				J Med Chem 32: 1895-905 (1989) BindingDB Entry DOI: 10.7270/Q2QR4ZB9
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Lactobacillus casei)	BDBM50081909 (5-(3-(benzyloxy)benzyl)pyrimidine-2,4-diamine | 5-...) Show SMILES Nc1ncc(Cc2cccc(OCc3ccccc3)c2)c(N)n1 Show InChI InChI=1S/C18H18N4O/c19-17-15(11-21-18(20)22-17)9-14-7-4-8-16(10-14)23-12-13-5-2-1-3-6-13/h1-8,10-11H,9,12H2,(H4,19,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	708	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) from Lactobacillus casei (expressed as log 1/Kiapp)				J Med Chem 25: 777-84 (1982) BindingDB Entry DOI: 10.7270/Q2WH2S6T
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50081909 (5-(3-(benzyloxy)benzyl)pyrimidine-2,4-diamine | 5-...) Show SMILES Nc1ncc(Cc2cccc(OCc3ccccc3)c2)c(N)n1 Show InChI InChI=1S/C18H18N4O/c19-17-15(11-21-18(20)22-17)9-14-7-4-8-16(10-14)23-12-13-5-2-1-3-6-13/h1-8,10-11H,9,12H2,(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	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of recombinant Dihydrofolate reductase from humans.				J Med Chem 42: 4300-12 (1999) BindingDB Entry DOI: 10.7270/Q21R6PQG
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Gallus gallus (Chicken))	BDBM50081909 (5-(3-(benzyloxy)benzyl)pyrimidine-2,4-diamine | 5-...) Show SMILES Nc1ncc(Cc2cccc(OCc3ccccc3)c2)c(N)n1 Show InChI InChI=1S/C18H18N4O/c19-17-15(11-21-18(20)22-17)9-14-7-4-8-16(10-14)23-12-13-5-2-1-3-6-13/h1-8,10-11H,9,12H2,(H4,19,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.34E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Inhibitory activity against chicken liver dihydrofolate reductase				J Med Chem 32: 1895-905 (1989) BindingDB Entry DOI: 10.7270/Q2QR4ZB9
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Gallus gallus (Chicken))	BDBM50081909 (5-(3-(benzyloxy)benzyl)pyrimidine-2,4-diamine | 5-...) Show SMILES Nc1ncc(Cc2cccc(OCc3ccccc3)c2)c(N)n1 Show InChI InChI=1S/C18H18N4O/c19-17-15(11-21-18(20)22-17)9-14-7-4-8-16(10-14)23-12-13-5-2-1-3-6-13/h1-8,10-11H,9,12H2,(H4,19,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.34E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.2	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against chicken dihydrofolate reductase at pH 7.2.				J Med Chem 25: 435-40 (1982) BindingDB Entry DOI: 10.7270/Q2DF6TDD
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Gallus gallus (Chicken))	BDBM50081909 (5-(3-(benzyloxy)benzyl)pyrimidine-2,4-diamine | 5-...) Show SMILES Nc1ncc(Cc2cccc(OCc3ccccc3)c2)c(N)n1 Show InChI InChI=1S/C18H18N4O/c19-17-15(11-21-18(20)22-17)9-14-7-4-8-16(10-14)23-12-13-5-2-1-3-6-13/h1-8,10-11H,9,12H2,(H4,19,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.34E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.2	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against chicken dihydrofolate reductase at pH 7.2.				J Med Chem 25: 435-40 (1982) BindingDB Entry DOI: 10.7270/Q2DF6TDD
					More data for this Ligand-Target Pair
Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1 (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50081909 (5-(3-(benzyloxy)benzyl)pyrimidine-2,4-diamine | 5-...) Show SMILES Nc1ncc(Cc2cccc(OCc3ccccc3)c2)c(N)n1 Show InChI InChI=1S/C18H18N4O/c19-17-15(11-21-18(20)22-17)9-14-7-4-8-16(10-14)23-12-13-5-2-1-3-6-13/h1-8,10-11H,9,12H2,(H4,19,20,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.33E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Genetic Engineering and Biotechnology Curated by ChEMBL					Assay Description In vitro antimalarial activity against Plasmodium falciparum Csl-2 strain with triple mutation (C59R + S108N + I164L) DHFR				J Med Chem 47: 345-54 (2004) Article DOI: 10.1021/jm0303352 BindingDB Entry DOI: 10.7270/Q237784Q
					More data for this Ligand-Target Pair
Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1 (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50081909 (5-(3-(benzyloxy)benzyl)pyrimidine-2,4-diamine | 5-...) Show SMILES Nc1ncc(Cc2cccc(OCc3ccccc3)c2)c(N)n1 Show InChI InChI=1S/C18H18N4O/c19-17-15(11-21-18(20)22-17)9-14-7-4-8-16(10-14)23-12-13-5-2-1-3-6-13/h1-8,10-11H,9,12H2,(H4,19,20,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Genetic Engineering and Biotechnology Curated by ChEMBL					Assay Description In vitro antimalarial activity against Plasmodium falciparum K1CB1 strain with double mutation (C59R + S108N) DHFR, relative to trimethoprim				J Med Chem 47: 345-54 (2004) Article DOI: 10.1021/jm0303352 BindingDB Entry DOI: 10.7270/Q237784Q
					More data for this Ligand-Target Pair
Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1 (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50081909 (5-(3-(benzyloxy)benzyl)pyrimidine-2,4-diamine | 5-...) Show SMILES Nc1ncc(Cc2cccc(OCc3ccccc3)c2)c(N)n1 Show InChI InChI=1S/C18H18N4O/c19-17-15(11-21-18(20)22-17)9-14-7-4-8-16(10-14)23-12-13-5-2-1-3-6-13/h1-8,10-11H,9,12H2,(H4,19,20,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Genetic Engineering and Biotechnology Curated by ChEMBL					Assay Description In vitro antimalarial activity against Plasmodium falciparum Csl-2 strain with triple mutation (C59R + S108N + I164L) DHFR, relative to trimethoprim				J Med Chem 47: 345-54 (2004) Article DOI: 10.1021/jm0303352 BindingDB Entry DOI: 10.7270/Q237784Q
					More data for this Ligand-Target Pair
Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1 (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50081909 (5-(3-(benzyloxy)benzyl)pyrimidine-2,4-diamine | 5-...) Show SMILES Nc1ncc(Cc2cccc(OCc3ccccc3)c2)c(N)n1 Show InChI InChI=1S/C18H18N4O/c19-17-15(11-21-18(20)22-17)9-14-7-4-8-16(10-14)23-12-13-5-2-1-3-6-13/h1-8,10-11H,9,12H2,(H4,19,20,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.28E+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 In vitro antimalarial activity against Plasmodium falciparum Vl/S strain with quadruple mutation (N51I + C59R + S108N + I164L) DHFR				J Med Chem 47: 345-54 (2004) Article DOI: 10.1021/jm0303352 BindingDB Entry DOI: 10.7270/Q237784Q
					More data for this Ligand-Target Pair
Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1 (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50081909 (5-(3-(benzyloxy)benzyl)pyrimidine-2,4-diamine | 5-...) Show SMILES Nc1ncc(Cc2cccc(OCc3ccccc3)c2)c(N)n1 Show InChI InChI=1S/C18H18N4O/c19-17-15(11-21-18(20)22-17)9-14-7-4-8-16(10-14)23-12-13-5-2-1-3-6-13/h1-8,10-11H,9,12H2,(H4,19,20,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.52E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Genetic Engineering and Biotechnology Curated by ChEMBL					Assay Description In vitro antimalarial activity against Plasmodium falciparum K1CB1 strain with double mutation (C59R + S108N) DHFR				J Med Chem 47: 345-54 (2004) Article DOI: 10.1021/jm0303352 BindingDB Entry DOI: 10.7270/Q237784Q
					More data for this Ligand-Target Pair
Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1 (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50081909 (5-(3-(benzyloxy)benzyl)pyrimidine-2,4-diamine | 5-...) Show SMILES Nc1ncc(Cc2cccc(OCc3ccccc3)c2)c(N)n1 Show InChI InChI=1S/C18H18N4O/c19-17-15(11-21-18(20)22-17)9-14-7-4-8-16(10-14)23-12-13-5-2-1-3-6-13/h1-8,10-11H,9,12H2,(H4,19,20,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.28E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Genetic Engineering and Biotechnology Curated by ChEMBL					Assay Description In vitro antimalarial activity against Plasmodium falciparum TM4/8.2 strain with wild type DHFR, relative to trimethoprim				J Med Chem 47: 345-54 (2004) Article DOI: 10.1021/jm0303352 BindingDB Entry DOI: 10.7270/Q237784Q
					More data for this Ligand-Target Pair
Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1 (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50081909 (5-(3-(benzyloxy)benzyl)pyrimidine-2,4-diamine | 5-...) Show SMILES Nc1ncc(Cc2cccc(OCc3ccccc3)c2)c(N)n1 Show InChI InChI=1S/C18H18N4O/c19-17-15(11-21-18(20)22-17)9-14-7-4-8-16(10-14)23-12-13-5-2-1-3-6-13/h1-8,10-11H,9,12H2,(H4,19,20,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.52E+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 In vitro antimalarial activity against Plasmodium falciparum TM4/8.2 strain with wild type DHFR				J Med Chem 47: 345-54 (2004) Article DOI: 10.1021/jm0303352 BindingDB Entry DOI: 10.7270/Q237784Q
					More data for this Ligand-Target Pair