BDBM18496 5-[3-methoxy-3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine::JMC517532 Compound 10::Propargyl-linked, 8::Propargyl-substituted antifolate, 10::TMP derivative with propargyl-based linker, 28

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

InChI Key: InChIKey=WGUCJULKGMTPOP-UHFFFAOYSA-N

Data: 1 KI  11 IC50

PDB links: 2 PDB IDs match 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 = 18496   

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)	BDBM18496 (JMC517532 Compound 10 | Propargyl-substituted anti...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	7.0	25
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Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM18496 (JMC517532 Compound 10 | Propargyl-substituted anti...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	550	n/a	n/a	n/a	n/a	7.0	25
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Dihydrofolate reductase (Bacillus anthracis)	BDBM18496 (JMC517532 Compound 10 | Propargyl-substituted anti...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.91E+4	n/a	n/a	n/a	n/a	7.0	25
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Dihydrofolate reductase (Human)	BDBM18496 (JMC517532 Compound 10 | Propargyl-substituted anti...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.22E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Dihydrofolate reductase (Human)	BDBM18496 (JMC517532 Compound 10 | Propargyl-substituted anti...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.22E+3	n/a	n/a	n/a	n/a	n/a	25
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Dihydrofolate reductase (Yeast)	BDBM18496 (JMC517532 Compound 10 | Propargyl-substituted anti...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	25
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Dihydrofolate reductase (Yeast)	BDBM18496 (JMC517532 Compound 10 | Propargyl-substituted anti...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
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Dihydrofolate reductase (Human)	BDBM18496 (JMC517532 Compound 10 | Propargyl-substituted anti...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.22E+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 (Human)	BDBM18496 (JMC517532 Compound 10 | Propargyl-substituted anti...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.22E+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)	BDBM18496 (JMC517532 Compound 10 | Propargyl-substituted anti...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
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Dihydrofolate reductase (Bacillus anthracis)	BDBM18496 (JMC517532 Compound 10 | Propargyl-substituted anti...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.91E+4	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)	BDBM18496 (JMC517532 Compound 10 | Propargyl-substituted anti...) Show SMILES Show InChI	GoogleScholar	UniChem		9.81E+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