BDBM50018472 5-(3,4-Dimethoxy-5-propenyl-benzyl)-pyrimidine-2,4-diamine::CHEMBL23338

SMILES: COc1cc(Cc2cnc(N)nc2N)cc(\C=C\C)c1OC

InChI Key: InChIKey=ZWUMGQPKPLFJSY-SNAWJCMRSA-N

Data: 2 KI  1 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 3 hits for monomerid = 50018472   

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)	BDBM50018472 (5-(3,4-Dimethoxy-5-propenyl-benzyl)-pyrimidine-2,4...) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(\C=C\C)c1OC Show InChI InChI=1S/C16H20N4O2/c1-4-5-11-6-10(8-13(21-2)14(11)22-3)7-12-9-19-16(18)20-15(12)17/h4-6,8-9H,7H2,1-3H3,(H4,17,18,19,20)/b5-4+	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wellcome Research Laboratories Curated by ChEMBL					Assay Description Antibacterial activity against Escherichia coli				J Med Chem 32: 1949-58 (1989) BindingDB Entry DOI: 10.7270/Q2DF6Q6G
					More data for this Ligand-Target Pair
Dihydrofolate Reductase (DHFR) (Staphylococcus aureus)	BDBM50018472 (5-(3,4-Dimethoxy-5-propenyl-benzyl)-pyrimidine-2,4...) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(\C=C\C)c1OC Show InChI InChI=1S/C16H20N4O2/c1-4-5-11-6-10(8-13(21-2)14(11)22-3)7-12-9-19-16(18)20-15(12)17/h4-6,8-9H,7H2,1-3H3,(H4,17,18,19,20)/b5-4+	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wellcome Research Laboratories Curated by ChEMBL					Assay Description Antibacterial activity against Staphylococcus aureus				J Med Chem 32: 1949-58 (1989) BindingDB Entry DOI: 10.7270/Q2DF6Q6G
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50018472 (5-(3,4-Dimethoxy-5-propenyl-benzyl)-pyrimidine-2,4...) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(\C=C\C)c1OC Show InChI InChI=1S/C16H20N4O2/c1-4-5-11-6-10(8-13(21-2)14(11)22-3)7-12-9-19-16(18)20-15(12)17/h4-6,8-9H,7H2,1-3H3,(H4,17,18,19,20)/b5-4+	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	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
Burroughs Wellcome Co. Curated by ChEMBL					Assay Description Inhibition of Neisseria gonorrhoeae Dihydrofolate reductase(DHFR)				J Med Chem 31: 122-9 (1988) BindingDB Entry DOI: 10.7270/Q24M95T9
					More data for this Ligand-Target Pair