BDBM50180197 (2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H-purin-9-yl)-3,4-dihydroxy-N-methyltetrahydrothiophene-2-carboxamide::(2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-2-chloro-9H-purin-9-yl)-3,4-dihydroxy-N-methyl-tetrahydrothiophene-2-carboxamide::CHEMBL200732

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

InChI Key InChIKey=IRIUFVPPSHYZRM-PFHKOEEOSA-N

Data  28 KI  4 EC50

  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 32 hits for monomerid = 50180197   

TargetPeroxisome proliferator-activated receptor delta(Human)
Sahmyook University

Curated by ChEMBL
LigandPNGBDBM50180197((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...)
Affinity DataKi:  0.160nMAssay 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

TargetAdenosine receptor A3(Human)
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50180197((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...)
Affinity DataKi:  0.380nMAssay Description:Binding affinity to human adenosine A3 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAdenosine receptor A3(Human)
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50180197((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...)
Affinity DataKi:  0.380nMAssay Description:Displacement of [125I]AB-MECA from human adenosine A3 receptor transfected in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAdenosine receptor A3(Human)
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50180197((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...)
Affinity DataKi:  0.380nMAssay Description:Binding affinity to human adenosine A3 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAdenosine receptor A3(Human)
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50180197((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...)
Affinity DataKi:  0.380nMAssay 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
LigandPNGBDBM50180197((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...)
Affinity DataKi:  0.380nMAssay 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
LigandPNGBDBM50180197((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...)
Affinity DataKi:  0.380nMAssay 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

TargetAdenosine receptor A3(Human)
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50180197((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...)
Affinity DataKi:  0.380nMAssay Description:Displacement of [125I]I-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
LigandPNGBDBM50180197((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...)
Affinity DataKi:  0.380nMAssay 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(Rat)
Seoul National University

Curated by ChEMBL
LigandPNGBDBM50180197((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...)
Affinity DataKi:  0.380nMAssay Description:Displacement of [125I]AB-MECA from rat A3AR transfected in CHO cell membrane assessed as inhibition constant incubated for 1 hr by gamma counter meth...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAdenosine receptor A3(Human)
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50180197((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...)
Affinity DataKi:  0.380nMAssay 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
LigandPNGBDBM50180197((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...)
Affinity DataKi:  0.380nMAssay Description:Displacement of [3H]ABMECA from human adenosine A3 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAdenosine receptor A3(Rat)
Seoul National University

Curated by ChEMBL
LigandPNGBDBM50180197((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...)
Affinity DataKi:  0.820nMAssay Description:Displacement of [125I]I-AB-MECA from rat adenosine A3 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetPeroxisome proliferator-activated receptor gamma(Human)
Sahmyook University

Curated by ChEMBL
LigandPNGBDBM50180197((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...)
Affinity DataKi:  4.60nMAssay 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 A1(Human)
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50180197((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...)
Affinity DataKi:  193nMAssay Description:Displacement of [3H]R-PIA from human adenosine A1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAdenosine receptor A1(Human)
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50180197((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...)
Affinity DataKi:  193nMAssay 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

TargetAdenosine receptor A1(Human)
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50180197((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...)
Affinity DataKi:  193nMAssay Description:Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAdenosine receptor A1(Human)
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50180197((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...)
Affinity DataKi:  193nMAssay 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
LigandPNGBDBM50180197((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...)
Affinity DataKi:  193nMAssay Description:Displacement of [3H]R-PIA from human adenosine A1 receptor transfected in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAdenosine receptor A1(Human)
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50180197((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...)
Affinity DataKi:  193nMAssay 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
LigandPNGBDBM50180197((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...)
Affinity DataKi:  193nMAssay Description:Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAdenosine receptor A2a(Human)
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50180197((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...)
Affinity DataKi:  223nMAssay Description:Displacement of [3H]CGS-21680 from human adenosine A2A receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAdenosine receptor A2a(Human)
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50180197((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...)
Affinity DataKi:  223nMAssay 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)
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50180197((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...)
Affinity DataKi:  223nMAssay 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)
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50180197((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...)
Affinity DataKi:  223nMAssay 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 A2a(Human)
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50180197((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...)
Affinity DataKi:  223nMAssay Description:Displacement of [3H]CGS21680 from human adenosine A2A receptor transfected in HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAdenosine receptor A2a(Human)
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50180197((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...)
Affinity DataKi:  223nMAssay Description:Displacement of [3H]CGS21680 from human adenosine A2A receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAdenosine receptor A2a(Human)
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50180197((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...)
Affinity DataKi:  223nMAssay Description:Displacement of [3H]CGS-21680 from human adenosine A2A receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetPeroxisome proliferator-activated receptor delta(Human)
Sahmyook University

Curated by ChEMBL
LigandPNGBDBM50180197((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...)
Affinity DataEC50:  41nMAssay Description:Competitive binding affinity to GST-tagged human PPARdelta LBD incubated for 1 to 6 hrs by TR-FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetPeroxisome proliferator-activated receptor gamma(Human)
Sahmyook University

Curated by ChEMBL
LigandPNGBDBM50180197((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...)
Affinity DataEC50:  4.64E+3nMAssay Description:Competitive binding affinity to GST-tagged human PPARgamma LBD incubated for 1 to 6 hrs by TR-FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetPeroxisome proliferator-activated receptor delta(Human)
Sahmyook University

Curated by ChEMBL
LigandPNGBDBM50180197((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...)
Affinity DataEC50:  1.67E+4nMAssay Description:Antagonist activity at PPARdelta LBD (unknown origin) assessed as increase in recruitment of SMRT ID2 corepressor peptide by TR-FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetPeroxisome proliferator-activated receptor delta(Human)
Sahmyook University

Curated by ChEMBL
LigandPNGBDBM50180197((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...)
Affinity DataEC50:  1.07E+4nMAssay Description:Antagonist at PPARdelta LBD (unknown origin) assessed as increase in recruitment of coactivator peptide C33 cotreated with PPARdelta agonist GW501516...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed