BDBM50026302 CHEMBL14201::[5-(2,4-Diamino-pyrimidin-5-ylmethyl)-2,3-dimethoxy-phenoxy]-acetic acid

SMILES: COc1cc(Cc2cnc(N)nc2N)cc(OCC(O)=O)c1OC

InChI Key: InChIKey=ZKQGKWNKNGLJIB-UHFFFAOYSA-N

Data: 3 KI  1 Kd

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 = 50026302   

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)	BDBM50026302 (CHEMBL14201 | [5-(2,4-Diamino-pyrimidin-5-ylmethyl...) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OCC(O)=O)c1OC Show InChI InChI=1S/C15H18N4O5/c1-22-10-4-8(3-9-6-18-15(17)19-14(9)16)5-11(13(10)23-2)24-7-12(20)21/h4-6H,3,7H2,1-2H3,(H,20,21)(H4,16,17,18,19)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity for E. coli Dihydrofolate reductase				J Med Chem 25: 1120-2 (1983) BindingDB Entry DOI: 10.7270/Q28G8JRF
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM50026302 (CHEMBL14201 | [5-(2,4-Diamino-pyrimidin-5-ylmethyl...) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OCC(O)=O)c1OC Show InChI InChI=1S/C15H18N4O5/c1-22-10-4-8(3-9-6-18-15(17)19-14(9)16)5-11(13(10)23-2)24-7-12(20)21/h4-6H,3,7H2,1-2H3,(H,20,21)(H4,16,17,18,19)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against Dihydrofolate reductase of Escherichia coli				J Med Chem 28: 303-11 (1985) BindingDB Entry DOI: 10.7270/Q2J966Z0
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM50026302 (CHEMBL14201 | [5-(2,4-Diamino-pyrimidin-5-ylmethyl...) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OCC(O)=O)c1OC Show InChI InChI=1S/C15H18N4O5/c1-22-10-4-8(3-9-6-18-15(17)19-14(9)16)5-11(13(10)23-2)24-7-12(20)21/h4-6H,3,7H2,1-2H3,(H,20,21)(H4,16,17,18,19)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.24	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 (Escherichia coli)	BDBM50026302 (CHEMBL14201 | [5-(2,4-Diamino-pyrimidin-5-ylmethyl...) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OCC(O)=O)c1OC Show InChI InChI=1S/C15H18N4O5/c1-22-10-4-8(3-9-6-18-15(17)19-14(9)16)5-11(13(10)23-2)24-7-12(20)21/h4-6H,3,7H2,1-2H3,(H,20,21)(H4,16,17,18,19)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against Dihydrofolate reductase of rat liver				J Med Chem 28: 303-11 (1985) BindingDB Entry DOI: 10.7270/Q2J966Z0
					More data for this Ligand-Target Pair