BDBM25826 5-[(3R)-3-(3-methoxy-5-phenylphenyl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine::propargyl-based inhibitor, R-10a

SMILES: COc1cc(cc(c1)-c1ccccc1)[C@@H](C)C#Cc1c(C)nc(N)nc1N

InChI Key: InChIKey=JPENSYBRTSIYGO-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 25826   

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)	BDBM25826 (5-[(3R)-3-(3-methoxy-5-phenylphenyl)but-1-yn-1-yl]...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.10	n/a	n/a	n/a	n/a	7.0	25
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Human)	BDBM25826 (5-[(3R)-3-(3-methoxy-5-phenylphenyl)but-1-yn-1-yl]...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.36E+3	n/a	n/a	n/a	n/a	7.0	25
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Cryptosporidium parvum)	BDBM25826 (5-[(3R)-3-(3-methoxy-5-phenylphenyl)but-1-yn-1-yl]...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Human)	BDBM25826 (5-[(3R)-3-(3-methoxy-5-phenylphenyl)but-1-yn-1-yl]...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.36E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Human)	BDBM25826 (5-[(3R)-3-(3-methoxy-5-phenylphenyl)but-1-yn-1-yl]...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.36E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Dihydrofolate reductase (Yeast)	BDBM25826 (5-[(3R)-3-(3-methoxy-5-phenylphenyl)but-1-yn-1-yl]...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	33	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 (Staphylococcus aureus)	BDBM25826 (5-[(3R)-3-(3-methoxy-5-phenylphenyl)but-1-yn-1-yl]...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair