BDBM50171511 (S)-2-(4-(4-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)butyl)benzamido)pentanedioic acid::(S)-2-{4-[4-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)-butyl]-benzoylamino}-pentanedioic acid::CHEMBL365307::N-{4-[4-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)butyl]benzoyl}-L-glutamic Acid

SMILES: c1cc(ccc1CCCCc2cc3c([nH]2)N=C(NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O

InChI Key: InChIKey=CEPQCJFDTGQKDN-UHFFFAOYSA-N

Data: 2 KI  26 IC50

PDB links: 1 PDB ID matches 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 28 hits for monomerid = 50171511   

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
Trifunctional purine biosynthetic protein adenosine-3 (Human)	BDBM50171511 (N-{4-[4-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Trifunctional purine biosynthetic protein adenosine-3 (Human)	BDBM50171511 (N-{4-[4-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	6.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Trifunctional purine biosynthetic protein adenosine-3 (Mouse)	BDBM50171511 (N-{4-[4-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Trifunctional purine biosynthetic protein adenosine-3 (Human)	BDBM50171511 (N-{4-[4-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Trifunctional purine biosynthetic protein adenosine-3 (Mouse)	BDBM50171511 (N-{4-[4-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Thymidylate synthase (Human)	BDBM50171511 (N-{4-[4-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.70E+4	n/a	n/a	n/a	n/a	7.4	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Human)	BDBM50171511 (N-{4-[4-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	7.4	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Lactobacillus casei)	BDBM50171511 (N-{4-[4-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.10E+5	n/a	n/a	n/a	n/a	7.4	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM50171511 (N-{4-[4-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	7.4	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Thymidylate synthase (Escherichia coli)	BDBM50171511 (N-{4-[4-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.70E+5	n/a	n/a	n/a	n/a	7.4	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM50171511 (N-{4-[4-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	7.4	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Trifunctional purine biosynthetic protein adenosine-3 (Human)	BDBM50171511 (N-{4-[4-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-...) 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
TBA									Citation and Details
					More data for this Ligand-Target Pair
Trifunctional purine biosynthetic protein adenosine-3 (Human)	BDBM50171511 (N-{4-[4-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Folate receptor alpha (Human)	BDBM50171511 (N-{4-[4-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Reduced folate transporter (Human)	BDBM50171511 (N-{4-[4-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-...) 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
TBA									Citation and Details
					More data for this Ligand-Target Pair
Folate receptor beta (Human)	BDBM50171511 (N-{4-[4-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Proton-coupled folate transporter (Human)	BDBM50171511 (N-{4-[4-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Proton-coupled folate transporter (Human)	BDBM50171511 (N-{4-[4-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	213	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Folate receptor beta (Human)	BDBM50171511 (N-{4-[4-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Reduced folate transporter (Human)	BDBM50171511 (N-{4-[4-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-...) 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
TBA									Citation and Details
					More data for this Ligand-Target Pair
Folate receptor beta (Human)	BDBM50171511 (N-{4-[4-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-...) 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
TBA									Citation and Details
					More data for this Ligand-Target Pair
Folate receptor beta (Human)	BDBM50171511 (N-{4-[4-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Folate receptor alpha (Human)	BDBM50171511 (N-{4-[4-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-...) 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
TBA									Citation and Details
					More data for this Ligand-Target Pair
Folate receptor alpha (Human)	BDBM50171511 (N-{4-[4-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Reduced folate transporter (Human)	BDBM50171511 (N-{4-[4-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-...) 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
TBA									Citation and Details
					More data for this Ligand-Target Pair
Proton-coupled folate transporter (Human)	BDBM50171511 (N-{4-[4-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	213	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Proton-coupled folate transporter (Human)	BDBM50171511 (N-{4-[4-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-...) Show SMILES Show InChI	GoogleScholar	UniChem		460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Proton-coupled folate transporter (Human)	BDBM50171511 (N-{4-[4-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-...) Show SMILES Show InChI	GoogleScholar	UniChem		460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair