BDBM50214974 (2R,3R,4S)-2-(2-chloro-6-(3-iodobenzylamino)-9H-purin-9-yl)tetrahydrothiophene3,4-diol::(2R,3R,4S)-2-(6-(3-iodobenzylamino)-2-chloro-9H-purin-9-yl)-tetrahydrothiophene-3,4-diol::CHEMBL413686

SMILES O[C@@H]1CS[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12

InChI Key InChIKey=QMJFSSNSVVHFPD-IXPVHAAZSA-N

Data  17 KI

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 50214974   

TargetPeroxisome proliferator-activated receptor delta(Human)
Sahmyook University

Curated by ChEMBL
LigandPNGBDBM50214974((2R,3R,4S)-2-(2-chloro-6-(3-iodobenzylamino)-9H-pu...)
Affinity DataKi:  0.00483nMAssay Description:Displacement of Fluormone-Pan-PPAR Green from human GST-tagged PPARdelta LBD by TR-FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPeroxisome proliferator-activated receptor gamma(Human)
Sahmyook University

Curated by ChEMBL
LigandPNGBDBM50214974((2R,3R,4S)-2-(2-chloro-6-(3-iodobenzylamino)-9H-pu...)
Affinity DataKi:  3.40nMAssay Description:Displacement of Fluormone-Pan-PPAR Green from human GST-tagged PPARgamma LBD by TR-FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Human)
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50214974((2R,3R,4S)-2-(2-chloro-6-(3-iodobenzylamino)-9H-pu...)
Affinity DataKi:  4.16nMAssay Description:Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Human)
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50214974((2R,3R,4S)-2-(2-chloro-6-(3-iodobenzylamino)-9H-pu...)
Affinity DataKi:  4.16nMAssay Description:Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed CHO cells after 60 mins by gamma countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Human)
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50214974((2R,3R,4S)-2-(2-chloro-6-(3-iodobenzylamino)-9H-pu...)
Affinity DataKi:  4.16nMAssay Description:Displacement of [3H]I-AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells by liquid scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Human)
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50214974((2R,3R,4S)-2-(2-chloro-6-(3-iodobenzylamino)-9H-pu...)
Affinity DataKi:  4.20nMAssay Description:Displacement of [125I]I-AB-MECA from recombinant human A3AR expressed in CHO cell membranes measured after 60 mins by gamma counter analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Human)
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50214974((2R,3R,4S)-2-(2-chloro-6-(3-iodobenzylamino)-9H-pu...)
Affinity DataKi:  4.20nMAssay Description:Displacement of [125I]I-AB-MECA from human A3 adenosine receptor expressed in CHO cell membranes after 60 mins by gamma counting methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPeroxisome proliferator-activated receptor delta(Human)
Sahmyook University

Curated by ChEMBL
LigandPNGBDBM50214974((2R,3R,4S)-2-(2-chloro-6-(3-iodobenzylamino)-9H-pu...)
Affinity DataKi:  11nMAssay Description:Binding affinity to PPAR-delta (unknown origin) by TR-FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Human)
Sahmyook University

Curated by ChEMBL
LigandPNGBDBM50214974((2R,3R,4S)-2-(2-chloro-6-(3-iodobenzylamino)-9H-pu...)
Affinity DataKi:  341nMAssay Description:Displacement of [3H]CGS21680 from human A2A adenosine receptor expressed in HEK293 cell membranes after 60 mins by gamma counting methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Human)
Sahmyook University

Curated by ChEMBL
LigandPNGBDBM50214974((2R,3R,4S)-2-(2-chloro-6-(3-iodobenzylamino)-9H-pu...)
Affinity DataKi:  341nMAssay Description:Displacement of [3H]CGS 21680 from human adenosine A2A receptor expressed HEK293 cells after 60 mins by gamma countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Human)
Sahmyook University

Curated by ChEMBL
LigandPNGBDBM50214974((2R,3R,4S)-2-(2-chloro-6-(3-iodobenzylamino)-9H-pu...)
Affinity DataKi:  341nMAssay Description:Displacement of [3H]CGS21680 from human recombinant adenosine A2a receptor expressed in HEK293 cells by liquid scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Human)
Sahmyook University

Curated by ChEMBL
LigandPNGBDBM50214974((2R,3R,4S)-2-(2-chloro-6-(3-iodobenzylamino)-9H-pu...)
Affinity DataKi:  341nMAssay Description:Displacement of [3H]CGS21680 from human adenosine A2A receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Human)
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50214974((2R,3R,4S)-2-(2-chloro-6-(3-iodobenzylamino)-9H-pu...)
Affinity DataKi:  2.49E+3nMAssay Description:Displacement of [3H]CCPA from human adenosine A1 receptor in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Human)
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50214974((2R,3R,4S)-2-(2-chloro-6-(3-iodobenzylamino)-9H-pu...)
Affinity DataKi:  2.49E+3nMAssay Description:Displacement of [3H]R-PIA from human adenosine A1 receptor expressed CHO cells after 60 mins by gamma countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Human)
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50214974((2R,3R,4S)-2-(2-chloro-6-(3-iodobenzylamino)-9H-pu...)
Affinity DataKi:  2.49E+3nMAssay Description:Displacement of [3H]CCPA from human A1 receptor expressed in CHO cell membranes after 60 mins by gamma counting methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Human)
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50214974((2R,3R,4S)-2-(2-chloro-6-(3-iodobenzylamino)-9H-pu...)
Affinity DataKi:  2.49E+3nMAssay Description:Displacement of [3H]NECA from human recombinant adenosine A1 receptor expressed in CHO cells by liquid scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPeroxisome proliferator-activated receptor gamma(Human)
Sahmyook University

Curated by ChEMBL
LigandPNGBDBM50214974((2R,3R,4S)-2-(2-chloro-6-(3-iodobenzylamino)-9H-pu...)
Affinity DataKi:  3.33E+3nMAssay Description:Binding affinity to PPAR-gamma (unknown origin) by TR-FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed