BDBM35804 (CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmethyl-3,4-dihydroxy-tetrahydro-furan-2-yl)-9H-purin-2-ylamino]-ethyl}-phenyl)-propionic acid::2-[4-(2-carboxyethyl)-phenethylamino]-5''''-N-ethylcarboxamidoadenosine::2-[4-(2-carboxyethyl)phenethylamino]-5''''-N-ethylcarboxamidoadenosine::2-p-(2-carboxyethyl)phenethylamino-5''''-N-ethylcarboxamidoadenosine::3-(4-(2-(6-amino-9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-tetrahydrofuran-2-yl)-9H-purin-2-ylamino)ethyl)phenyl)propanoic acid::3-(4-(2-(6-amino-9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxytetrahydrofuran-2-yl)-9H-purin-2-ylamino)ethyl)phenyl)propanoic acid::3-(4-{2-[6-Amino-9-((2R,3R,4S,5S)-5-ethylcarbamoyl-3,4-dihydroxy-tetrahydro-furan-2-yl)-9H-purin-2-ylamino]-ethyl}-phenyl)-propionic acid::CGS 21680::CGS-21680::CHEMBL331372::[3H]-CGS 21680

SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(O)=O)cc3)nc12

InChI Key InChIKey=PAOANWZGLPPROA-RQXXJAGISA-N

Data  77 KI  1 IC50  12 Kd  19 EC50

PDB links: 2 PDB IDs match this monomer.

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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 35804   

TargetAdenosine receptor A3(Homo sapiens (Human))
University of Ferrara

Curated by PDSP Ki Database
LigandPNGBDBM35804((CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmet...)
Affinity DataKi:  980nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
University of Ferrara

Curated by PDSP Ki Database
LigandPNGBDBM35804((CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmet...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails PubMed