BDBM50138709 5-(4-Methoxy-3-propoxy-benzyl)-pyrimidine-2,4-diamine::CHEMBL419231

SMILES: CCCOc1cc(Cc2cnc(N)nc2N)ccc1OC

InChI Key: InChIKey=ZVKNLYSSNJWJRQ-UHFFFAOYSA-N

Data: 4 KI

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 = 50138709   

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))	BDBM50138709 (5-(4-Methoxy-3-propoxy-benzyl)-pyrimidine-2,4-diam...) Show SMILES CCCOc1cc(Cc2cnc(N)nc2N)ccc1OC Show InChI InChI=1S/C15H20N4O2/c1-3-6-21-13-8-10(4-5-12(13)20-2)7-11-9-18-15(17)19-14(11)16/h4-5,8-9H,3,6-7H2,1-2H3,(H4,16,17,18,19)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80	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-Thymidylate Synthase (DHFR-TS) Mutant KICB1 (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50138709 (5-(4-Methoxy-3-propoxy-benzyl)-pyrimidine-2,4-diam...) Show SMILES CCCOc1cc(Cc2cnc(N)nc2N)ccc1OC Show InChI InChI=1S/C15H20N4O2/c1-3-6-21-13-8-10(4-5-12(13)20-2)7-11-9-18-15(17)19-14(11)16/h4-5,8-9H,3,6-7H2,1-2H3,(H4,16,17,18,19)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	52.1	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-Thymidylate Synthase (DHFR-TS) Mutant KICB1 (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50138709 (5-(4-Methoxy-3-propoxy-benzyl)-pyrimidine-2,4-diam...) Show SMILES CCCOc1cc(Cc2cnc(N)nc2N)ccc1OC Show InChI InChI=1S/C15H20N4O2/c1-3-6-21-13-8-10(4-5-12(13)20-2)7-11-9-18-15(17)19-14(11)16/h4-5,8-9H,3,6-7H2,1-2H3,(H4,16,17,18,19)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	144	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-Thymidylate Synthase (DHFR-TS) Mutant KICB1 (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50138709 (5-(4-Methoxy-3-propoxy-benzyl)-pyrimidine-2,4-diam...) Show SMILES CCCOc1cc(Cc2cnc(N)nc2N)ccc1OC Show InChI InChI=1S/C15H20N4O2/c1-3-6-21-13-8-10(4-5-12(13)20-2)7-11-9-18-15(17)19-14(11)16/h4-5,8-9H,3,6-7H2,1-2H3,(H4,16,17,18,19)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	920	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