BDBM26521 6-ethyl-5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-yl]pyrimidine-2,4-diamine::Propargyl inhibitor, 20

SMILES: CCc1c(c(nc(n1)N)N)C#CCc2cc(c(c(c2)OC)OC)OC

InChI Key: InChIKey=VPNXKXUNASBBLU-UHFFFAOYSA-N

Data: 1 KI  5 IC50

PDB links: 1 PDB ID matches this monomer.

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 6 hits for monomerid = 26521   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Dihydrofolate reductase (Bacillus anthracis)	BDBM26521 (6-ethyl-5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-y...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	942	n/a	n/a	n/a	n/a	7.0	25
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Human)	BDBM26521 (6-ethyl-5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-y...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Human)	BDBM26521 (6-ethyl-5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-y...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Yeast)	BDBM26521 (6-ethyl-5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-y...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Bacillus anthracis)	BDBM26521 (6-ethyl-5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-y...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	942	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Bacillus anthracis)	BDBM26521 (6-ethyl-5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-y...) Show SMILES Show InChI	GoogleScholar	UniChem		320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair