BDBM50264214 (1'R,2'R,3'S,4'R,5'S)-4'-[2-Chloro-6-(3-chlorobenzylamino)-purine]-2',3'-O-dihydroxybicyclo-[3.1.0]hexane::(1R,2R,3S,4R,5S)-4-(2-chloro-6-(3-chlorobenzylamino)-9H-purin-9-yl)bicyclo[3.1.0]hexane-2,3-diol::CHEMBL523797

SMILES O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(Cl)c3)nc(Cl)nc12

InChI Key InChIKey=JDKVLAUQQJFNTK-JHOKLZQASA-N

Data  13 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50264214   

TargetAdenosine receptor A3(Homo sapiens (Human))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50264214((1'R,2'R,3'S,4'R,5'S)-4'-[2-Chloro-6-(3-chlorobenz...)
Affinity DataKi:  1.06nMAssay Description:Displacement of [125I]AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells after 60 mins by liquid scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50264214((1'R,2'R,3'S,4'R,5'S)-4'-[2-Chloro-6-(3-chlorobenz...)
Affinity DataKi:  1.06nMAssay Description:Displacement of [3H]CGS21680 form human adenosine A3 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50264214((1'R,2'R,3'S,4'R,5'S)-4'-[2-Chloro-6-(3-chlorobenz...)
Affinity DataKi:  1.60E+3nMAssay Description:Displacement of [3H]N6-phenylisopropyladenosine from recombinant human A1AR expressed in CHO cell membranes after 60 mins by liquid scintillation cou...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 2B(Homo sapiens (Human))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50264214((1'R,2'R,3'S,4'R,5'S)-4'-[2-Chloro-6-(3-chlorobenz...)
Affinity DataKi:  2.39E+3nMAssay Description:Displacement of [3H]lysergic from human 5-HT2BR expressed in HEK cell membranes incubated in dark for 90 mins by microbeta scintillation counting met...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50264214((1'R,2'R,3'S,4'R,5'S)-4'-[2-Chloro-6-(3-chlorobenz...)
Affinity DataKi:  3.07E+3nMAssay Description:Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells after 60 mins by liquid scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50264214((1'R,2'R,3'S,4'R,5'S)-4'-[2-Chloro-6-(3-chlorobenz...)
Affinity DataKi:  3.07E+3nMAssay Description:Displacement of [3H]CCPA form human adenosine A1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 3A(Homo sapiens (Human))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50264214((1'R,2'R,3'S,4'R,5'S)-4'-[2-Chloro-6-(3-chlorobenz...)
Affinity DataKi:  3.26E+3nMAssay Description:Displacement of [3H]GR65630 from human 5-HT3 receptor expressed in HEK-T cell membranes incubated for 90 mins under dark condition by microbeta scint...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50264214((1'R,2'R,3'S,4'R,5'S)-4'-[2-Chloro-6-(3-chlorobenz...)
Affinity DataKi:  4.10E+3nMAssay Description:Displacement of [3H]mesulergine from human 5-HT2CR expressed in Flp-In HEK cell membranes incubated for 90 mins under dark condition by microbeta sci...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50264214((1'R,2'R,3'S,4'R,5'S)-4'-[2-Chloro-6-(3-chlorobenz...)
Affinity DataKi:  4.51E+3nMAssay Description:Displacement of [3H]CGS21680 from human adenosine A2A receptor expressed in HEK293 cells after 60 mins by liquid scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50264214((1'R,2'R,3'S,4'R,5'S)-4'-[2-Chloro-6-(3-chlorobenz...)
Affinity DataKi:  4.51E+3nMAssay Description:Displacement of [3H]R-PIA form human adenosine A2A receptor expressed in HEK cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50264214((1'R,2'R,3'S,4'R,5'S)-4'-[2-Chloro-6-(3-chlorobenz...)
Affinity DataKi:  4.52E+3nMAssay Description:Displacement of [3 H]2-[p-(2-carboxyethyl)phenyl-ethylamino]-5'-N-ethylcarboxamidoadenosine from recombinant human adenosine receptor A2A expressed i...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTransmembrane domain-containing protein TMIGD3(Homo sapiens (Human))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50264214((1'R,2'R,3'S,4'R,5'S)-4'-[2-Chloro-6-(3-chlorobenz...)
Affinity DataKi:  4.90E+3nMAssay Description:Displacement of [125l]N 6-(4-amino-3-iodobenzyl)adenosine-5'-N-methyluronamide from recombinant human A3AR expressed in CHO cell membranes after 60 m...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 2A(Homo sapiens (Human))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50264214((1'R,2'R,3'S,4'R,5'S)-4'-[2-Chloro-6-(3-chlorobenz...)
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]ketanserin from human 5-HT2A receptor expressed in HEK-T cell membranes incubated for 90 mins under dark condition by microbeta s...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed