null

SMILES Cc1nc(N)nc2[nH]cc(CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c12

InChI Key InChIKey=FICRNCFTTZHHPO-HNNXBMFYSA-N

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50092651   

TargetDihydrofolate reductase(Homo sapiens (Human))
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50092651((S)-2-{4-[2-(2-Amino-4-methyl-7H-pyrrolo[2,3-d]pyr...)copy SMILEScopy InChI
Affinity DataIC50: 24nMAssay Description:Inhibitory concentration against isolated Lactobacillus casei Dihydrofolate reductaseMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2S1835MPubMed
TargetThymidylate synthase(Homo sapiens (Human))
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50092651((S)-2-{4-[2-(2-Amino-4-methyl-7H-pyrrolo[2,3-d]pyr...)copy SMILEScopy InChI
Affinity DataIC50: 2.00E+3nMAssay Description:Compound was evaluated as inhibitor of Escherichia coli thymidylate synthaseMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2JQ11RGPubMed
TargetThymidylate synthase(Homo sapiens (Human))
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50092651((S)-2-{4-[2-(2-Amino-4-methyl-7H-pyrrolo[2,3-d]pyr...)copy SMILEScopy InChI
Affinity DataIC50: 9.00E+3nMAssay Description:Inhibitory concentration against isolated Lactobacillus casei Thymidylate synthaseMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2S1835MPubMed
TargetDihydrofolate reductase(Homo sapiens (Human))
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50092651((S)-2-{4-[2-(2-Amino-4-methyl-7H-pyrrolo[2,3-d]pyr...)copy SMILEScopy InChI
Affinity DataIC50: 800nMAssay Description:Inhibitory concentration against isolated human Dihydrofolate reductaseMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2S1835MPubMed
TargetDihydrofolate reductase(Homo sapiens (Human))
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50092651((S)-2-{4-[2-(2-Amino-4-methyl-7H-pyrrolo[2,3-d]pyr...)copy SMILEScopy InChI
Affinity DataIC50: 1.20E+3nMAssay Description:Inhibitory concentration against isolated Pneumocystis carinii DHFR (Dihydrofolate reductase)More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2S1835MPubMed
TargetDihydrofolate reductase(Homo sapiens (Human))
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50092651((S)-2-{4-[2-(2-Amino-4-methyl-7H-pyrrolo[2,3-d]pyr...)copy SMILEScopy InChI
Affinity DataIC50: 1.80E+3nMAssay Description:Inhibitory concentration against isolated Escherichia coli Dihydrofolate reductaseMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2S1835MPubMed
TargetDihydrofolate reductase(Homo sapiens (Human))
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50092651((S)-2-{4-[2-(2-Amino-4-methyl-7H-pyrrolo[2,3-d]pyr...)copy SMILEScopy InChI
Affinity DataIC50: 1.20E+3nMAssay Description:Inhibitory concentration against isolated Toxoplasma gondii DHFR (dihydrofolate reductase)More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2S1835MPubMed
TargetThymidylate synthase(Homo sapiens (Human))
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50092651((S)-2-{4-[2-(2-Amino-4-methyl-7H-pyrrolo[2,3-d]pyr...)copy SMILEScopy InChI
Affinity DataIC50: 2.00E+3nMAssay Description:Inhibitory concentration against isolated Escherichia coli Thymidylate synthaseMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2S1835MPubMed
TargetThymidylate synthase(Rattus norvegicus)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50092651((S)-2-{4-[2-(2-Amino-4-methyl-7H-pyrrolo[2,3-d]pyr...)copy SMILEScopy InChI
Affinity DataIC50: 2.00E+3nMAssay Description:Inhibitory concentration against isolated rat thymidylate synthaseMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2S1835MPubMed
TargetDihydrofolate reductase(Escherichia coli)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50092651((S)-2-{4-[2-(2-Amino-4-methyl-7H-pyrrolo[2,3-d]pyr...)copy SMILEScopy InChI
Affinity DataIC50: 1.80E+3nMAssay Description:Compound was evaluated as inhibitor of Escherichia coli Dihydrofolate reductaseMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2JQ11RGPubMed
TargetDihydrofolate reductase(Homo sapiens (Human))
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50092651((S)-2-{4-[2-(2-Amino-4-methyl-7H-pyrrolo[2,3-d]pyr...)copy SMILEScopy InChI
Affinity DataIC50: 1.20E+3nMAssay Description:Compound was evaluated as inhibitor of human Dihydrofolate reductaseMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2JQ11RGPubMed
TargetThymidylate synthase(Homo sapiens (Human))
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50092651((S)-2-{4-[2-(2-Amino-4-methyl-7H-pyrrolo[2,3-d]pyr...)copy SMILEScopy InChI
Affinity DataIC50: 9.00E+3nMAssay Description:Compound was evaluated as inhibitor of Lactobacillus casei thymidylate synthaseMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2JQ11RGPubMed
TargetThymidylate synthase(Homo sapiens (Human))
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50092651((S)-2-{4-[2-(2-Amino-4-methyl-7H-pyrrolo[2,3-d]pyr...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+3nMAssay Description:Compound was evaluated as inhibitor of human thymidylate synthaseMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2JQ11RGPubMed
TargetDihydrofolate reductase(Lactobacillus casei)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50092651((S)-2-{4-[2-(2-Amino-4-methyl-7H-pyrrolo[2,3-d]pyr...)copy SMILEScopy InChI
Affinity DataIC50: 24nMAssay Description:Compound was evaluated as inhibitor of Lactobacillus casei Dihydrofolate reductaseMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2JQ11RGPubMed
TargetThymidylate synthase(Homo sapiens (Human))
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50092651((S)-2-{4-[2-(2-Amino-4-methyl-7H-pyrrolo[2,3-d]pyr...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibitory concentration against isolated Thymidylate synthaseMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2S1835MPubMed