BDBM50177309 (2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-2-chloro-9H-purin-9-yl)-3,4-dihydroxy-N,N-dimethyl-tetrahydrothiophene-2-carboxamide::(2S,3S,4R,5R)-5-[2-chloro-6-(3-iodo-benzylamino)-purin-9-yl]-3,4-dihydroxy-tetrahydro-thiophene-2-carboxylic aciddimethylamide::CHEMBL436485

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

InChI Key InChIKey=JXJRUAGROQMNET-UHFFFAOYSA-N

Data  15 KI  1 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 4 hits for monomerid = 50177309   

TargetAdenosine receptor A1(Human)
Ewha Womans University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50177309BDBM50177309((2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-2-chloro-9H...)
Affinity DataKi:  6.22E+3nMAssay Description:Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetAdenosine receptor A1(Human)
Ewha Womans University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50177309BDBM50177309((2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-2-chloro-9H...)
Affinity DataKi:  6.22E+3nMAssay Description:Displacement of [3H]R-PIA from human Adenosine A1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetAdenosine receptor A1(Human)
Ewha Womans University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50177309BDBM50177309((2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-2-chloro-9H...)
Affinity DataKi:  6.22E+3nMAssay Description:Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2012
Entry Details Article
PubMed
TargetAdenosine receptor A1(Human)
Ewha Womans University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50177309BDBM50177309((2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-2-chloro-9H...)
Affinity DataKi:  6.22E+3nMAssay Description:Displacement of [3H]CCPA from human adenosine A1 receptor in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed