BDBM50326679 4-(2-(4-((2,4-Diaminopteridin-6-yl)methylamino)benzamido)ethyl)benzenesulfonic acid::CHEMBL1255023

SMILES Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)NCCc3ccc(cc3)S(O)(=O)=O)cnc2n1

InChI Key InChIKey=NUXDNXKKRSNKHH-UHFFFAOYSA-N

Data  3 KI  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50326679   

TargetCarbonic anhydrase 9(Homo sapiens (Human))
Instituto Superior T£Cnico

Curated by ChEMBL
LigandPNGBDBM50326679(4-(2-(4-((2,4-Diaminopteridin-6-yl)methylamino)ben...)
Affinity DataKi: >1.00E+3nMAssay Description:Inhibition of human recombinant carbonic anhydrase 9 after 15 mins by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Instituto Superior T£Cnico

Curated by ChEMBL
LigandPNGBDBM50326679(4-(2-(4-((2,4-Diaminopteridin-6-yl)methylamino)ben...)
Affinity DataKi:  3.64E+4nMAssay Description:Inhibition of human recombinant carbonic anhydrase 1 after 15 mins by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Instituto Superior T£Cnico

Curated by ChEMBL
LigandPNGBDBM50326679(4-(2-(4-((2,4-Diaminopteridin-6-yl)methylamino)ben...)
Affinity DataKi:  3.71E+4nMAssay Description:Inhibition of human recombinant carbonic anhydrase 2 after 15 mins by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Lactobacillus casei)
Instituto Superior T£Cnico

Curated by ChEMBL
LigandPNGBDBM50326679(4-(2-(4-((2,4-Diaminopteridin-6-yl)methylamino)ben...)
Affinity DataIC50:  1.30E+3nMAssay Description:Inhibition of Lactobacillus casei DHFR by spectrophotometric analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed