BDBM50005518 (S)-2-(4-(2-((R)-2-amino-4-oxo-1,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-6-yl)ethyl)benzamido)pentanedioic acid::(S)-2-(4-(2-((R)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-6-yl)ethyl)benzamido)pentanedioic acid::(S)-2-{(R)-4-[2-((R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydro-pyrido[2,3-d]pyrimidin-6-yl)-ethyl]-benzoylamino}-pentanedioic acid::(S)-2-{(R)-4-[2-(2-Amino-4-oxo-3,4,5,6,7,8-hexahydro-pyrido[2,3-d]pyrimidin-6-yl)-ethyl]-benzoylamino}-pentanedioic acid::(S)-2-{(S)-4-[2-(2-Amino-4-hydroxy-5,6,7,8-tetrahydro-pyrido[2,3-d]pyrimidin-6-yl)-ethyl]-benzoylamino}-pentanedioic acid::(S)-2-{4-[2-((R)-2-Amino-4-oxo-1,4,5,6,7,8-hexahydro-pyrido[2,3-d]pyrimidin-6-yl)-ethyl]-benzoylamino}-pentanedioic acid::(S)-2-{4-[2-(2-Amino-4-oxo-3,4,5,6,7,8-hexahydro-pyrido[2,3-d]pyrimidin-6-yl)-ethyl]-benzoylamino}-pentanedioic acid::2-{4-[2-(2-Amino-4-oxo-3,4,5,6,7,8-hexahydro-pyrido[2,3-d]pyrimidin-6-yl)-ethyl]-benzoylamino}-pentanedioic acid::CHEMBL142806::LOMETREXOL

SMILES: Nc1nc2NCC(CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)Cc2c(=O)[nH]1

InChI Key: InChIKey=ZUQBAQVRAURMCL-UHFFFAOYSA-N

Data: 2 KI  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 8 hits for monomerid = 50005518   

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)	BDBM50005518 (CHEMBL142806 | (S)-2-{(R)-4-[2-((R)-2-Amino-4-oxo-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	220	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)	BDBM50005518 (CHEMBL142806 | (S)-2-{(R)-4-[2-((R)-2-Amino-4-oxo-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	780	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)	BDBM50005518 (CHEMBL142806 | (S)-2-{(R)-4-[2-((R)-2-Amino-4-oxo-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	14	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)	BDBM50005518 (CHEMBL142806 | (S)-2-{(R)-4-[2-((R)-2-Amino-4-oxo-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	780	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)	BDBM50005518 (CHEMBL142806 | (S)-2-{(R)-4-[2-((R)-2-Amino-4-oxo-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.40E+4	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)	BDBM50005518 (CHEMBL142806 | (S)-2-{(R)-4-[2-((R)-2-Amino-4-oxo-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.77	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)	BDBM50005518 (CHEMBL142806 | (S)-2-{(R)-4-[2-((R)-2-Amino-4-oxo-...) Show SMILES Show InChI	GoogleScholar	UniChem		60	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
Bifunctional purine biosynthesis protein ATIC (Human)	BDBM50005518 (CHEMBL142806 | (S)-2-{(R)-4-[2-((R)-2-Amino-4-oxo-...) Show SMILES Show InChI	GoogleScholar	UniChem		>1.00E+5	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