BDBM18050 2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)formamido]pentanedioic acid::CHEMBL34259::MTX::Methotrexate::cid_126941

SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O

InChI Key InChIKey=FBOZXECLQNJBKD-ZDUSSCGKSA-N

Data  48 KI  206 IC50  10 Kd  3 EC50  3 Koff  3 Kon

PDB links: 80 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 18050   

TargetDihydrofolate reductase(Lactobacillus casei)
TBA

Curated by ChEMBL
LigandPNGBDBM18050(2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...)
Affinity DataIC50:  3nMAssay Description:Inhibition of MTX-resistant Lactobacillus casei dihydrofolate reductaseMore data for this Ligand-Target Pair
TargetThymidylate synthase(Lactobacillus casei)
TBA

Curated by ChEMBL
LigandPNGBDBM18050(2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of MTX-resistant Lactobacillus casei thymidylate synthetaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed