BDBM50457437 CHEBI:71223::Folotyn::PDX::Pralatrexate

SMILES: [H][C@@](CCC(O)=O)(NC(=O)c1ccc(cc1)C(CC#C)Cc1cnc2nc(N)nc(N)c2n1)C(O)=O

InChI Key: InChIKey=OGSBUKJUDHAQEA-UHFFFAOYSA-N

Data: 5 KI  4 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 10 hits for monomerid = 50457437   

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
Proton-coupled folate transporter (Human)	BDBM50457437 (CHEBI:71223 | Folotyn | PDX | Pralatrexate) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
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Reduced folate transporter (Human)	BDBM50457437 (CHEBI:71223 | Folotyn | PDX | Pralatrexate) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.690	n/a	n/a	n/a	n/a	n/a	n/a
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Folate receptor alpha (Human)	BDBM50457437 (CHEBI:71223 | Folotyn | PDX | Pralatrexate) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	168	n/a	n/a	n/a	n/a	n/a	n/a
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Folate receptor alpha (Human)	BDBM50457437 (CHEBI:71223 | Folotyn | PDX | Pralatrexate) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Dihydrofolate reductase (Human)	BDBM50457437 (CHEBI:71223 | Folotyn | PDX | Pralatrexate) Show SMILES Show InChI	GoogleScholar	UniChem		0.0130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium Falciparum)	BDBM50457437 (CHEBI:71223 | Folotyn | PDX | Pralatrexate) Show SMILES Show InChI	GoogleScholar	UniChem		13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Trifunctional purine biosynthetic protein adenosine-3 (Human)	BDBM50457437 (CHEBI:71223 | Folotyn | PDX | Pralatrexate) Show SMILES Show InChI	GoogleScholar	UniChem		>1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Bifunctional purine biosynthesis protein ATIC (Human)	BDBM50457437 (CHEBI:71223 | Folotyn | PDX | Pralatrexate) Show SMILES Show InChI	GoogleScholar	UniChem		>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Serine hydroxymethyltransferase, cytosolic (Human)	BDBM50457437 (CHEBI:71223 | Folotyn | PDX | Pralatrexate) Show SMILES Show InChI	GoogleScholar	UniChem		>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Serine hydroxymethyltransferase, mitochondrial (Human)	BDBM50457437 (CHEBI:71223 | Folotyn | PDX | Pralatrexate) Show SMILES Show InChI	GoogleScholar	UniChem		>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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