BDBM18490 6-methyl-5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-yl]pyrimidine-2,4-diamine::JMC517532 Compound 4::Propargyl-linked, 5::Propargyl-substituted antifolate, 7::TMP derivative with propargyl-based linker, 16

SMILES: COc1cc(CC#Cc2c(C)nc(N)nc2N)cc(OC)c1OC

InChI Key: InChIKey=WJIMEKODTQDGFJ-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 = 18490   

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)	BDBM18490 (Propargyl-substituted antifolate, 7 | JMC517532 Co...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.02E+4	n/a	n/a	n/a	n/a	7.0	25
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Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM18490 (Propargyl-substituted antifolate, 7 | JMC517532 Co...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	880	n/a	n/a	n/a	n/a	7.0	25
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Dihydrofolate reductase (Bacillus anthracis)	BDBM18490 (Propargyl-substituted antifolate, 7 | JMC517532 Co...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	7.0	25
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Dihydrofolate reductase (Human)	BDBM18490 (Propargyl-substituted antifolate, 7 | JMC517532 Co...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
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Dihydrofolate reductase (Human)	BDBM18490 (Propargyl-substituted antifolate, 7 | JMC517532 Co...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	25
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Dihydrofolate reductase (Yeast)	BDBM18490 (Propargyl-substituted antifolate, 7 | JMC517532 Co...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	25
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Dihydrofolate reductase (Yeast)	BDBM18490 (Propargyl-substituted antifolate, 7 | JMC517532 Co...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
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Dihydrofolate reductase (Human)	BDBM18490 (Propargyl-substituted antifolate, 7 | JMC517532 Co...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Dihydrofolate reductase (Human)	BDBM18490 (Propargyl-substituted antifolate, 7 | JMC517532 Co...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Dihydrofolate reductase (Yeast)	BDBM18490 (Propargyl-substituted antifolate, 7 | JMC517532 Co...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Dihydrofolate reductase (Bacillus anthracis)	BDBM18490 (Propargyl-substituted antifolate, 7 | JMC517532 Co...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Dihydrofolate reductase (Bacillus anthracis)	BDBM18490 (Propargyl-substituted antifolate, 7 | JMC517532 Co...) Show SMILES Show InChI	GoogleScholar	UniChem		1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair