BDBM6644 6‐phenylpteridine‐2,4,7‐triamine (5)::6-phenylpteridine-2,4,7-triamine::Pteridine deriv. 11::TRIAMTERENE

SMILES Nc1nc(N)c2nc(c(N)nc2n1)-c1ccccc1

InChI Key InChIKey=FNYLWPVRPXGIIP-UHFFFAOYSA-N

Data  1 KI  11 IC50  1 EC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 6644   

TargetPteridine reductase 1(Leishmania major)
University Of Dundee

Curated by ChEMBL
LigandPNGBDBM6644(6‐phenylpteridine‐2,4,7‐triamine...)
Affinity DataKi:  3.40E+3nMAssay Description:Inhibition of Leishmania major recombinant PTR1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM6644(6‐phenylpteridine‐2,4,7‐triamine...)
Affinity DataIC50:  4.61E+3nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetdTDP-4-dehydrorhamnose 3,5-epimerase(Mycobacterium tuberculosis H37Rv)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM6644(6‐phenylpteridine‐2,4,7‐triamine...)
Affinity DataIC50:  4.37E+3nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Michael McNeil, Colorado State Universi...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetHeat shock factor protein 1(Mus musculus)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM6644(6‐phenylpteridine‐2,4,7‐triamine...)
Affinity DataEC50: >1.95E+5nMAssay Description:Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetCasein kinase I isoform alpha(Homo sapiens (Human))
Max Planck Institute Of Molecular Physiology

LigandPNGBDBM6644(6‐phenylpteridine‐2,4,7‐triamine...)
Affinity DataIC50:  3.68E+4nMAssay Description:Single-point measurements analyses and subsequent dose-dependent investigations of selected pteridine derivatives for inhibition of CK1α were pe...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCasein kinase I isoform delta(Homo sapiens (Human))
Max Planck Institute Of Molecular Physiology

LigandPNGBDBM6644(6‐phenylpteridine‐2,4,7‐triamine...)
Affinity DataIC50:  3.64E+4nMpH: 7.5Assay Description:A stock solution of 5 % DMSO (BioReagent for molecular biology, Sigma Aldrich) in water was prepared. The CK1 substrate peptide RRKDLHDDEEDEAMSITA (J...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-binding cassette sub-family C member 2(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM6644(6‐phenylpteridine‐2,4,7‐triamine...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile salt export pump(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM6644(6‐phenylpteridine‐2,4,7‐triamine...)
Affinity DataIC50: >1.35E+5nMAssay Description:Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane vesicles assessed as reduction in vesicle-associated [3H]-taurocholate t...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-binding cassette sub-family C member 4(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM6644(6‐phenylpteridine‐2,4,7‐triamine...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile salt export pump(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM6644(6‐phenylpteridine‐2,4,7‐triamine...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-binding cassette sub-family C member 3(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM6644(6‐phenylpteridine‐2,4,7‐triamine...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-D1 [L188C](Homo sapiens (Human))
Banyu Tsukuba Research Institute

LigandPNGBDBM6644(6‐phenylpteridine‐2,4,7‐triamine...)
Affinity DataIC50:  2.10E+5nMpH: 7.4 T: 2°CAssay Description:In vitro kinase assays using synthetic peptides and purified enzymes were incubated at 30°C for 45 min in buffer that contained 50 uM ATP, and d...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCasein kinase I isoform epsilon(Homo sapiens (Human))
Max Planck Institute Of Molecular Physiology

LigandPNGBDBM6644(6‐phenylpteridine‐2,4,7‐triamine...)
Affinity DataIC50:  2.68E+4nMpH: 7.5Assay Description:A stock solution of 5 % DMSO (BioReagent for molecular biology, Sigma Aldrich) in water was prepared. The CK1 substrate peptide RRKDLHDDEEDEAMSITA (J...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed