BDBM50329608 6-methyl-5-(3-methyl-3-(3,4,5-trimethoxyphenyl)but-1-ynyl)pyrimidine-2,4-diamine::6-methyl-5-[3-methyl-3-(3,4,5-trimethoxyphenyl)but-1-yn-1-yl]pyrimidine-2,4-diamine::CHEMBL1230365::Propargyl-substituted antifolate, 14

SMILES: Cc1c(c(nc(n1)N)N)C#CC(C)(C)c2cc(c(c(c2)OC)OC)OC

InChI Key: InChIKey=FJNFXXGWYVMQNA-UHFFFAOYSA-N

Data: 1 KI  5 IC50

PDB links: 4 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 6 hits for monomerid = 50329608   

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
Dihydrofolate reductase (Yeast)	BDBM50329608 (Propargyl-substituted antifolate, 14 | CHEMBL12303...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
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Dihydrofolate reductase (Human)	BDBM50329608 (Propargyl-substituted antifolate, 14 | CHEMBL12303...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
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Dihydrofolate reductase (Bacillus anthracis)	BDBM50329608 (Propargyl-substituted antifolate, 14 | CHEMBL12303...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.27E+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 (Human)	BDBM50329608 (Propargyl-substituted antifolate, 14 | CHEMBL12303...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
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Dihydrofolate reductase (Yeast)	BDBM50329608 (Propargyl-substituted antifolate, 14 | CHEMBL12303...) 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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Dihydrofolate reductase (Bacillus anthracis)	BDBM50329608 (Propargyl-substituted antifolate, 14 | CHEMBL12303...) Show SMILES Show InChI	GoogleScholar	UniChem		4.28E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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