BDBM50309786 1-(6-(2-(5-(6-(3-chlorobenzylamino)-9-((1S,2R,3S,4R,5S)-3,4-dihydroxy-5-(methylcarbamoyl)bicyclo[3.1.0]hexan-2-yl)-9H-purin-2-yl)pent-4-ynamido)ethylamino)-6-oxohexyl)-2-(5-(1-ethyl-3,3-dimethyl-5-sulfoindolin-2-ylidene)penta-1,3-dienyl)-3,3-dimethyl-3H-indolium-5-sulfonate::CHEMBL589401

SMILES CCN1\C(=C/C=C/C=C/C2=[N+](CCCCCC(=O)NCCNC(=O)CCC#Cc3nc(NCc4cccc(Cl)c4)c4ncn([C@@H]5[C@H]6C[C@]6([C@@H](O)[C@H]5O)C(=O)NC)c4n3)c3ccc(cc3C2(C)C)S([O-])(=O)=O)C(C)(C)c2cc(ccc12)S(O)(=O)=O

InChI Key InChIKey=JZTKEWSGKUCOKF-UHFFFAOYSA-N

Data  2 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50309786   

TargetAdenosine receptor A3(Human)
Niddk

Curated by ChEMBL
LigandPNGBDBM50309786(1-(6-(2-(5-(6-(3-chlorobenzylamino)-9-((1S,2R,3S,4...)
Affinity DataKi:  17.2nMAssay 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 Depth
Date in BDB:
9/2/2010
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Niddk

Curated by ChEMBL
LigandPNGBDBM50309786(1-(6-(2-(5-(6-(3-chlorobenzylamino)-9-((1S,2R,3S,4...)
Affinity DataKi:  4.73E+3nMAssay 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 Depth
Date in BDB:
9/2/2010
Entry Details Article
PubMed