BDBM18492 6-methyl-5-[3-(3,4,5-trimethoxyphenyl)but-1-yn-1-yl]pyrimidine-2,4-diamine::JMC517532 Compound 8::Propargyl-linked, 6::Propargyl-substituted antifolate, 8::TMP derivative with propargyl-based linker, 21

SMILES: COc1cc(cc(OC)c1OC)C(C)C#Cc1c(C)nc(N)nc1N

InChI Key: InChIKey=RUQVXLIOJPKNCM-UHFFFAOYSA-N

Data: 1 KI  11 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 12 hits for monomerid = 18492   

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
Bifunctional dihydrofolate reductase-thymidylate synthase (Cryptosporidium parvum)	BDBM18492 (Propargyl-substituted antifolate, 8 | Propargyl-li...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	169	n/a	n/a	n/a	n/a	7.0	25
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM18492 (Propargyl-substituted antifolate, 8 | Propargyl-li...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	120	n/a	n/a	n/a	n/a	7.0	25
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Bacillus anthracis)	BDBM18492 (Propargyl-substituted antifolate, 8 | Propargyl-li...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.03E+4	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)	BDBM18492 (Propargyl-substituted antifolate, 8 | Propargyl-li...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.38E+3	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)	BDBM18492 (Propargyl-substituted antifolate, 8 | Propargyl-li...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.38E+3	n/a	n/a	n/a	n/a	n/a	25
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Yeast)	BDBM18492 (Propargyl-substituted antifolate, 8 | Propargyl-li...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	25
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Yeast)	BDBM18492 (Propargyl-substituted antifolate, 8 | Propargyl-li...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	25	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)	BDBM18492 (Propargyl-substituted antifolate, 8 | Propargyl-li...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.38E+3	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)	BDBM18492 (Propargyl-substituted antifolate, 8 | Propargyl-li...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.38E+3	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)	BDBM18492 (Propargyl-substituted antifolate, 8 | Propargyl-li...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	110	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)	BDBM18492 (Propargyl-substituted antifolate, 8 | Propargyl-li...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.03E+4	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)	BDBM18492 (Propargyl-substituted antifolate, 8 | Propargyl-li...) Show SMILES Show InChI	GoogleScholar	UniChem		1.02E+4	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