BDBM50034171 3,4-Dihydroxy-5-[6-(3-iodo-benzylamino)-purin-9-yl]-tetrahydro-furan-2-carboxylic acid methylamide::3,4-dihydroxy-5-(6-{[(3-iodophenyl)methyl]amino}-9H-purin-9-yl)-N-methyloxolane-2-carboxamide::IB-MECA

SMILES CNC(=O)C1OC(C(O)C1O)n1cnc2c(NCc3cccc(I)c3)ncnc12

InChI Key InChIKey=HUJXGQILHAUCCV-UHFFFAOYSA-N

Data  11 KI

PDB links: 2 PDB IDs match this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50034171   

TargetAdenosine receptor A3(Homo sapiens (Human))
UniversitÄT WÜRzburg

Curated by PDSP Ki Database
LigandPNGBDBM50034171(3,4-Dihydroxy-5-[6-(3-iodo-benzylamino)-purin-9-yl...)
Affinity DataKi:  1.20nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
UniversitÄT WÜRzburg

Curated by PDSP Ki Database
LigandPNGBDBM50034171(3,4-Dihydroxy-5-[6-(3-iodo-benzylamino)-purin-9-yl...)
Affinity DataKi:  1.20nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAdenosine receptor A3(Oryctolagus cuniculus (rabbit))
Pfizer

Curated by PDSP Ki Database
LigandPNGBDBM50034171(3,4-Dihydroxy-5-[6-(3-iodo-benzylamino)-purin-9-yl...)
In DepthDetails PubMed
TargetAdenosine receptor A3(Chick)
University of Illinois At Chicago

Curated by PDSP Ki Database
LigandPNGBDBM50034171(3,4-Dihydroxy-5-[6-(3-iodo-benzylamino)-purin-9-yl...)
Affinity DataKi:  2.80nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Chick)
University of Illinois At Chicago

Curated by PDSP Ki Database
LigandPNGBDBM50034171(3,4-Dihydroxy-5-[6-(3-iodo-benzylamino)-purin-9-yl...)
Affinity DataKi:  16.3nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Oryctolagus cuniculus (Rabbit))
Pfizer

Curated by PDSP Ki Database
LigandPNGBDBM50034171(3,4-Dihydroxy-5-[6-(3-iodo-benzylamino)-purin-9-yl...)
Affinity DataKi:  30nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
UniversitÄT WÜRzburg

Curated by PDSP Ki Database
LigandPNGBDBM50034171(3,4-Dihydroxy-5-[6-(3-iodo-benzylamino)-purin-9-yl...)
Affinity DataKi:  80nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
UniversitÄT WÜRzburg

Curated by PDSP Ki Database
LigandPNGBDBM50034171(3,4-Dihydroxy-5-[6-(3-iodo-benzylamino)-purin-9-yl...)
Affinity DataKi:  103nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
UniversitÄT WÜRzburg

Curated by PDSP Ki Database
LigandPNGBDBM50034171(3,4-Dihydroxy-5-[6-(3-iodo-benzylamino)-purin-9-yl...)
Affinity DataKi:  110nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
UniversitÄT WÜRzburg

Curated by PDSP Ki Database
LigandPNGBDBM50034171(3,4-Dihydroxy-5-[6-(3-iodo-benzylamino)-purin-9-yl...)
Affinity DataKi:  2.52E+3nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2b(Homo sapiens (Human))
University of Virginia

Curated by PDSP Ki Database
LigandPNGBDBM50034171(3,4-Dihydroxy-5-[6-(3-iodo-benzylamino)-purin-9-yl...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails PubMed