BDBM50027970 5-(4-Bromo-3,5-dimethoxy-benzyl)-pyrimidine-2,4-diamine::Brodimoprim::CHEMBL31891

SMILES: COc1cc(Cc2cnc(N)nc2N)cc(OC)c1Br

InChI Key: InChIKey=BFCRRLMMHNLSCP-UHFFFAOYSA-N

Data: 5 KI  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 9 hits for monomerid = 50027970   

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)	BDBM50027970 (5-(4-Bromo-3,5-dimethoxy-benzyl)-pyrimidine-2,4-di...) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1Br Show InChI InChI=1S/C13H15BrN4O2/c1-19-9-4-7(5-10(20-2)11(9)14)3-8-6-17-13(16)18-12(8)15/h4-6H,3H2,1-2H3,(H4,15,16,17,18)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.603	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)	BDBM50027970 (5-(4-Bromo-3,5-dimethoxy-benzyl)-pyrimidine-2,4-di...) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1Br Show InChI InChI=1S/C13H15BrN4O2/c1-19-9-4-7(5-10(20-2)11(9)14)3-8-6-17-13(16)18-12(8)15/h4-6H,3H2,1-2H3,(H4,15,16,17,18)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	6.60	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 (Lactobacillus casei)	BDBM50027970 (5-(4-Bromo-3,5-dimethoxy-benzyl)-pyrimidine-2,4-di...) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1Br Show InChI InChI=1S/C13H15BrN4O2/c1-19-9-4-7(5-10(20-2)11(9)14)3-8-6-17-13(16)18-12(8)15/h4-6H,3H2,1-2H3,(H4,15,16,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition constant of compound against L. casei dihydrofolate reductase				J Med Chem 27: 1672-6 (1985) BindingDB Entry DOI: 10.7270/Q2G73CQG
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Lactobacillus casei)	BDBM50027970 (5-(4-Bromo-3,5-dimethoxy-benzyl)-pyrimidine-2,4-di...) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1Br Show InChI InChI=1S/C13H15BrN4O2/c1-19-9-4-7(5-10(20-2)11(9)14)3-8-6-17-13(16)18-12(8)15/h4-6H,3H2,1-2H3,(H4,15,16,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	52	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 (Gallus gallus (Chicken))	BDBM50027970 (5-(4-Bromo-3,5-dimethoxy-benzyl)-pyrimidine-2,4-di...) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1Br Show InChI InChI=1S/C13H15BrN4O2/c1-19-9-4-7(5-10(20-2)11(9)14)3-8-6-17-13(16)18-12(8)15/h4-6H,3H2,1-2H3,(H4,15,16,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.88E+4	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 (Rattus norvegicus (rat))	BDBM50027970 (5-(4-Bromo-3,5-dimethoxy-benzyl)-pyrimidine-2,4-di...) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1Br Show InChI InChI=1S/C13H15BrN4O2/c1-19-9-4-7(5-10(20-2)11(9)14)3-8-6-17-13(16)18-12(8)15/h4-6H,3H2,1-2H3,(H4,15,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of rat liver Dihydrofolate Reductase				J Med Chem 40: 3694-9 (1997) Article DOI: 10.1021/jm970399a BindingDB Entry DOI: 10.7270/Q2NG4PQJ
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM50027970 (5-(4-Bromo-3,5-dimethoxy-benzyl)-pyrimidine-2,4-di...) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1Br Show InChI InChI=1S/C13H15BrN4O2/c1-19-9-4-7(5-10(20-2)11(9)14)3-8-6-17-13(16)18-12(8)15/h4-6H,3H2,1-2H3,(H4,15,16,17,18)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago 60612 Curated by ChEMBL					Assay Description Compound was tested for inhibition of Escherichia coli Dihydrofolate reductase.				J Med Chem 39: 4825-32 (1996) Article DOI: 10.1021/jm960491r BindingDB Entry DOI: 10.7270/Q2668GXG
					More data for this Ligand-Target Pair
Dihydrofolate reductase (DHFR) (Toxoplasma gondii)	BDBM50027970 (5-(4-Bromo-3,5-dimethoxy-benzyl)-pyrimidine-2,4-di...) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1Br Show InChI InChI=1S/C13H15BrN4O2/c1-19-9-4-7(5-10(20-2)11(9)14)3-8-6-17-13(16)18-12(8)15/h4-6H,3H2,1-2H3,(H4,15,16,17,18)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of T. gondii Dihydrofolate Reductase				J Med Chem 40: 3694-9 (1997) Article DOI: 10.1021/jm970399a BindingDB Entry DOI: 10.7270/Q2NG4PQJ
					More data for this Ligand-Target Pair
Dihydrofolate Reductase (DHFR) (Pneumocystis carinii)	BDBM50027970 (5-(4-Bromo-3,5-dimethoxy-benzyl)-pyrimidine-2,4-di...) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1Br Show InChI InChI=1S/C13H15BrN4O2/c1-19-9-4-7(5-10(20-2)11(9)14)3-8-6-17-13(16)18-12(8)15/h4-6H,3H2,1-2H3,(H4,15,16,17,18)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of P. carinii Dihydrofolate Reductase				J Med Chem 40: 3694-9 (1997) Article DOI: 10.1021/jm970399a BindingDB Entry DOI: 10.7270/Q2NG4PQJ
					More data for this Ligand-Target Pair