BDBM18495 5-[3-methoxy-3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-yl]pyrimidine-2,4-diamine::JMC517532 Compound 7::Propargyl-linked, 4::TMP derivative with propargyl-based linker, 27

SMILES: COC(C#Cc1cnc(N)nc1N)c1cc(OC)c(OC)c(OC)c1

InChI Key: InChIKey=NNNYFCIIRWDOAU-UHFFFAOYSA-N

Data: 8 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 18495   

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)	BDBM18495 (5-[3-methoxy-3-(3,4,5-trimethoxyphenyl)prop-1-yn-1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.33E+5	n/a	n/a	n/a	n/a	7.0	25
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Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM18495 (5-[3-methoxy-3-(3,4,5-trimethoxyphenyl)prop-1-yn-1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	9.80E+3	n/a	n/a	n/a	n/a	7.0	25
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Dihydrofolate reductase (Bacillus anthracis)	BDBM18495 (5-[3-methoxy-3-(3,4,5-trimethoxyphenyl)prop-1-yn-1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.09E+5	n/a	n/a	n/a	n/a	7.0	25
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Dihydrofolate reductase (Human)	BDBM18495 (5-[3-methoxy-3-(3,4,5-trimethoxyphenyl)prop-1-yn-1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Dihydrofolate reductase (Human)	BDBM18495 (5-[3-methoxy-3-(3,4,5-trimethoxyphenyl)prop-1-yn-1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.16E+3	n/a	n/a	n/a	n/a	n/a	25
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Dihydrofolate reductase (Yeast)	BDBM18495 (5-[3-methoxy-3-(3,4,5-trimethoxyphenyl)prop-1-yn-1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	25
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Dihydrofolate reductase (Human)	BDBM18495 (5-[3-methoxy-3-(3,4,5-trimethoxyphenyl)prop-1-yn-1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.16E+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 (Yeast)	BDBM18495 (5-[3-methoxy-3-(3,4,5-trimethoxyphenyl)prop-1-yn-1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair