BDBM25818 5-[3-(3-methoxy-5-phenylphenyl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine::Biphenyl antifolate, 4::propargyl-based inhibitor, 10a (+/-)

SMILES: COc1cc(cc(c1)-c1ccccc1)C(C)C#Cc1c(C)nc(N)nc1N

InChI Key: InChIKey=JPENSYBRTSIYGO-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 = 25818   

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)	BDBM25818 (5-[3-(3-methoxy-5-phenylphenyl)but-1-yn-1-yl]-6-me...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.80	n/a	n/a	n/a	n/a	7.0	25
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Dihydrofolate reductase (Human)	BDBM25818 (5-[3-(3-methoxy-5-phenylphenyl)but-1-yn-1-yl]-6-me...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	7.0	25
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Dihydrofolate reductase (Yeast)	BDBM25818 (5-[3-(3-methoxy-5-phenylphenyl)but-1-yn-1-yl]-6-me...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	7.30	n/a	n/a	n/a	n/a	n/a	n/a
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Dihydrofolate reductase (Human)	BDBM25818 (5-[3-(3-methoxy-5-phenylphenyl)but-1-yn-1-yl]-6-me...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Bifunctional dihydrofolate reductase-thymidylate synthase (Cryptosporidium parvum)	BDBM25818 (5-[3-(3-methoxy-5-phenylphenyl)but-1-yn-1-yl]-6-me...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
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Dihydrofolate reductase (Human)	BDBM25818 (5-[3-(3-methoxy-5-phenylphenyl)but-1-yn-1-yl]-6-me...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Dihydrofolate reductase (Human)	BDBM25818 (5-[3-(3-methoxy-5-phenylphenyl)but-1-yn-1-yl]-6-me...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Dihydrofolate reductase (Yeast)	BDBM25818 (5-[3-(3-methoxy-5-phenylphenyl)but-1-yn-1-yl]-6-me...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
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Dihydrofolate reductase (Bacillus anthracis)	BDBM25818 (5-[3-(3-methoxy-5-phenylphenyl)but-1-yn-1-yl]-6-me...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	7.90E+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)	BDBM25818 (5-[3-(3-methoxy-5-phenylphenyl)but-1-yn-1-yl]-6-me...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
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Dihydrofolate reductase (Staphylococcus aureus)	BDBM25818 (5-[3-(3-methoxy-5-phenylphenyl)but-1-yn-1-yl]-6-me...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
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Dihydrofolate reductase (Bacillus anthracis)	BDBM25818 (5-[3-(3-methoxy-5-phenylphenyl)but-1-yn-1-yl]-6-me...) Show SMILES Show InChI	GoogleScholar	UniChem		2.66E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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