BDBM50100249 2-{4-[(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-ylmethyl)-amino]-benzoylamino}-pentanedioic acid::CHEMBL61708

SMILES: Nc1nc2[nH]cc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c2c(=O)[nH]1

InChI Key: InChIKey=CPXNAWWJUOPIJB-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50100249   

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
Thymidylate synthase (Escherichia coli)	BDBM50100249 (2-{4-[(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Thymidylate synthase (Human)	BDBM50100249 (2-{4-[(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Dihydrofolate reductase (Escherichia coli)	BDBM50100249 (2-{4-[(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Dihydrofolate reductase (Human)	BDBM50100249 (2-{4-[(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Thymidylate synthase (Human)	BDBM50100249 (2-{4-[(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50100249 (2-{4-[(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
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