BDBM18494 3-(2,4-diamino-6-methylpyrimidin-5-yl)-1-(3,4,5-trimethoxyphenyl)prop-2-yn-1-ol::JMC517532 Compound 9::Propargyl-linked, 7::Propargyl-substituted antifolate, 9::TMP derivative with propargyl-based linker, 25

SMILES: Cc1c(c(nc(n1)N)N)C#C[C@@H](c2cc(c(c(c2)OC)OC)OC)O

InChI Key: InChIKey=MRGVCWULZNEIIL-UHFFFAOYSA-N

Data: 1 KI  11 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 12 hits for monomerid = 18494   

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)	BDBM18494 (Propargyl-substituted antifolate, 9 | Propargyl-li...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.41E+5	n/a	n/a	n/a	n/a	7.0	25
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Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM18494 (Propargyl-substituted antifolate, 9 | Propargyl-li...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	9.10E+3	n/a	n/a	n/a	n/a	7.0	25
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Dihydrofolate reductase (Bacillus anthracis)	BDBM18494 (Propargyl-substituted antifolate, 9 | Propargyl-li...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.45E+4	n/a	n/a	n/a	n/a	7.0	25
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Dihydrofolate reductase (Human)	BDBM18494 (Propargyl-substituted antifolate, 9 | Propargyl-li...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.71E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Dihydrofolate reductase (Human)	BDBM18494 (Propargyl-substituted antifolate, 9 | Propargyl-li...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.71E+3	n/a	n/a	n/a	n/a	n/a	25
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Dihydrofolate reductase (Yeast)	BDBM18494 (Propargyl-substituted antifolate, 9 | Propargyl-li...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	25
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Dihydrofolate reductase (Yeast)	BDBM18494 (Propargyl-substituted antifolate, 9 | Propargyl-li...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
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Dihydrofolate reductase (Human)	BDBM18494 (Propargyl-substituted antifolate, 9 | Propargyl-li...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.71E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Dihydrofolate reductase (Human)	BDBM18494 (Propargyl-substituted antifolate, 9 | Propargyl-li...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.71E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Dihydrofolate reductase (Yeast)	BDBM18494 (Propargyl-substituted antifolate, 9 | Propargyl-li...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	980	n/a	n/a	n/a	n/a	n/a	n/a
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Dihydrofolate reductase (Bacillus anthracis)	BDBM18494 (Propargyl-substituted antifolate, 9 | Propargyl-li...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.45E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Dihydrofolate reductase (Bacillus anthracis)	BDBM18494 (Propargyl-substituted antifolate, 9 | Propargyl-li...) Show SMILES Show InChI	GoogleScholar	UniChem		4.89E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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