BDBM18798 (2S)-2-{[4-({2-amino-6-ethyl-4-oxo-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-5-yl}sulfanyl)phenyl]formamido}pentanedioic acid::Pyrrolo[2,3-d]pyrimidine analogue, 4

SMILES: CCc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O

InChI Key: InChIKey=TXULAHBZZCHUNL-UHFFFAOYSA-N

Data: 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 4 hits for monomerid = 18798   

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 (Human)	BDBM18798 ((2S)-2-{[4-({2-amino-6-ethyl-4-oxo-3H,4H,7H-pyrrol...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	420	n/a	n/a	n/a	n/a	7.4	30
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Thymidylate synthase (Human)	BDBM18798 ((2S)-2-{[4-({2-amino-6-ethyl-4-oxo-3H,4H,7H-pyrrol...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	90	n/a	n/a	n/a	n/a	7.4	30
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Dihydrofolate reductase (Escherichia coli (strain K12))	BDBM18798 ((2S)-2-{[4-({2-amino-6-ethyl-4-oxo-3H,4H,7H-pyrrol...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Thymidylate synthase (Escherichia coli (strain K12))	BDBM18798 ((2S)-2-{[4-({2-amino-6-ethyl-4-oxo-3H,4H,7H-pyrrol...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair