BDBM50108174 7-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-methoxy-phenoxy]-heptanoic acid::CHEMBL36310

SMILES: COc1ccc(OCCCCCCC(O)=O)cc1Cc1cnc(N)nc1N

InChI Key: InChIKey=CHCXLVNXKKMMBE-UHFFFAOYSA-N

Data: 5 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 = 50108174   

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 (Toxoplasma gondii)	BDBM50108174 (7-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-methoxy-...) Show SMILES COc1ccc(OCCCCCCC(O)=O)cc1Cc1cnc(N)nc1N Show InChI InChI=1S/C19H26N4O4/c1-26-16-8-7-15(27-9-5-3-2-4-6-17(24)25)11-13(16)10-14-12-22-19(21)23-18(14)20/h7-8,11-12H,2-6,9-10H2,1H3,(H,24,25)(H4,20,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of partially purified dihydrofolate reductase (DHFR) from Toxoplasma gondii (Tg)				J Med Chem 45: 233-41 (2001) BindingDB Entry DOI: 10.7270/Q2SX6CJ2
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Mycobacterium avium)	BDBM50108174 (7-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-methoxy-...) Show SMILES COc1ccc(OCCCCCCC(O)=O)cc1Cc1cnc(N)nc1N Show InChI InChI=1S/C19H26N4O4/c1-26-16-8-7-15(27-9-5-3-2-4-6-17(24)25)11-13(16)10-14-12-22-19(21)23-18(14)20/h7-8,11-12H,2-6,9-10H2,1H3,(H,24,25)(H4,20,21,22,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of partially purified dihydrofolate reductase (DHFR) from Mycobacterium avium (Ma)				J Med Chem 45: 233-41 (2001) BindingDB Entry DOI: 10.7270/Q2SX6CJ2
					More data for this Ligand-Target Pair
Dihydrofolate reductase (DHFR) (Toxoplasma gondii)	BDBM50108174 (7-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-methoxy-...) Show SMILES COc1ccc(OCCCCCCC(O)=O)cc1Cc1cnc(N)nc1N Show InChI InChI=1S/C19H26N4O4/c1-26-16-8-7-15(27-9-5-3-2-4-6-17(24)25)11-13(16)10-14-12-22-19(21)23-18(14)20/h7-8,11-12H,2-6,9-10H2,1H3,(H,24,25)(H4,20,21,22,23)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibitory activity against Dihydrohydrofolate reductase(DHFR) of Toxoplasma gondii				J Med Chem 46: 1726-36 (2003) Article DOI: 10.1021/jm020466n BindingDB Entry DOI: 10.7270/Q2CR5SRW
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50108174 (7-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-methoxy-...) Show SMILES COc1ccc(OCCCCCCC(O)=O)cc1Cc1cnc(N)nc1N Show InChI InChI=1S/C19H26N4O4/c1-26-16-8-7-15(27-9-5-3-2-4-6-17(24)25)11-13(16)10-14-12-22-19(21)23-18(14)20/h7-8,11-12H,2-6,9-10H2,1H3,(H,24,25)(H4,20,21,22,23)	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	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of partially purified dihydrofolate reductase (DHFR) from rat liver				J Med Chem 45: 233-41 (2001) BindingDB Entry DOI: 10.7270/Q2SX6CJ2
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM50108174 (7-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-methoxy-...) Show SMILES COc1ccc(OCCCCCCC(O)=O)cc1Cc1cnc(N)nc1N Show InChI InChI=1S/C19H26N4O4/c1-26-16-8-7-15(27-9-5-3-2-4-6-17(24)25)11-13(16)10-14-12-22-19(21)23-18(14)20/h7-8,11-12H,2-6,9-10H2,1H3,(H,24,25)(H4,20,21,22,23)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description In vitro inhibition of Pneumocystis carinii (Pc) dihydrofolate reductase.				J Med Chem 45: 233-41 (2001) BindingDB Entry DOI: 10.7270/Q2SX6CJ2
					More data for this Ligand-Target Pair