BDBM50108179 9-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-methoxy-phenoxy]-nonanoic acid::CHEMBL38332

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

InChI Key: InChIKey=GWFSIQAFBODUBN-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50108179   

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 (Escherichia coli)	BDBM50108179 (9-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-methoxy-...) Show SMILES COc1ccc(OCCCCCCCCC(O)=O)cc1Cc1cnc(N)nc1N Show InChI InChI=1S/C21H30N4O4/c1-28-18-10-9-17(29-11-7-5-3-2-4-6-8-19(26)27)13-15(18)12-16-14-24-21(23)25-20(16)22/h9-10,13-14H,2-8,11-12H2,1H3,(H,26,27)(H4,22,23,24,25)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.80E+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
Dihydrofolate reductase (Mycobacterium avium)	BDBM50108179 (9-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-methoxy-...) Show SMILES COc1ccc(OCCCCCCCCC(O)=O)cc1Cc1cnc(N)nc1N Show InChI InChI=1S/C21H30N4O4/c1-28-18-10-9-17(29-11-7-5-3-2-4-6-8-19(26)27)13-15(18)12-16-14-24-21(23)25-20(16)22/h9-10,13-14H,2-8,11-12H2,1H3,(H,26,27)(H4,22,23,24,25)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	150	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
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50108179 (9-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-methoxy-...) Show SMILES COc1ccc(OCCCCCCCCC(O)=O)cc1Cc1cnc(N)nc1N Show InChI InChI=1S/C21H30N4O4/c1-28-18-10-9-17(29-11-7-5-3-2-4-6-8-19(26)27)13-15(18)12-16-14-24-21(23)25-20(16)22/h9-10,13-14H,2-8,11-12H2,1H3,(H,26,27)(H4,22,23,24,25)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	430	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 (Rattus norvegicus (rat))	BDBM50108179 (9-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-methoxy-...) Show SMILES COc1ccc(OCCCCCCCCC(O)=O)cc1Cc1cnc(N)nc1N Show InChI InChI=1S/C21H30N4O4/c1-28-18-10-9-17(29-11-7-5-3-2-4-6-8-19(26)27)13-15(18)12-16-14-24-21(23)25-20(16)22/h9-10,13-14H,2-8,11-12H2,1H3,(H,26,27)(H4,22,23,24,25)	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