BDBM50326677 4-(2-((2,4-Diaminopteridin-6-yl)methylamino)ethyl)benzenesulfonic acid::CHEMBL1254938

SMILES Nc1nc(N)c2nc(CNCCc3ccc(cc3)S(O)(=O)=O)cnc2n1

InChI Key InChIKey=GNFPWULEJCVJOZ-UHFFFAOYSA-N

Data  3 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50326677   

TargetCarbonic anhydrase 9(Human)
Instituto Superior T£Cnico

Curated by ChEMBL
LigandPNGBDBM50326677(4-(2-((2,4-Diaminopteridin-6-yl)methylamino)ethyl)...)
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 Depth
Date in BDB:
1/2/2013
Entry Details Article
PubMed
TargetCarbonic anhydrase 1(Human)
Instituto Superior T£Cnico

Curated by ChEMBL
LigandPNGBDBM50326677(4-(2-((2,4-Diaminopteridin-6-yl)methylamino)ethyl)...)
Affinity DataKi:  8.17E+3nMAssay Description:Inhibition of human recombinant carbonic anhydrase 1 after 15 mins by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/2/2013
Entry Details Article
PubMed
TargetCarbonic anhydrase 2(Human)
Instituto Superior T£Cnico

Curated by ChEMBL
LigandPNGBDBM50326677(4-(2-((2,4-Diaminopteridin-6-yl)methylamino)ethyl)...)
Affinity DataKi:  2.64E+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 Depth
Date in BDB:
1/2/2013
Entry Details Article
PubMed