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SMILES: Nc1sc(CCC(=O)NCCCCCCNc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(c1C(=O)c1ccccc1)-c1cccc(c1)C(F)(F)F

InChI Key:

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50594323   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50594323
PNG
(CHEMBL5203535)
Show SMILES Nc1sc(CCC(=O)NCCCCCCNc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(c1C(=O)c1ccccc1)-c1cccc(c1)C(F)(F)F |r|
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.07E+3n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00320
BindingDB Entry DOI: 10.7270/Q2JQ151Q
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50594323
PNG
(CHEMBL5203535)
Show SMILES Nc1sc(CCC(=O)NCCCCCCNc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(c1C(=O)c1ccccc1)-c1cccc(c1)C(F)(F)F |r|
PDB

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UniProtKB/SwissProt

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antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 871n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00320
BindingDB Entry DOI: 10.7270/Q2JQ151Q
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50594323
PNG
(CHEMBL5203535)
Show SMILES Nc1sc(CCC(=O)NCCCCCCNc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(c1C(=O)c1ccccc1)-c1cccc(c1)C(F)(F)F |r|
PDB

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KEGG

UniProtKB/SwissProt

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antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 525n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00320
BindingDB Entry DOI: 10.7270/Q2JQ151Q
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50594323
PNG
(CHEMBL5203535)
Show SMILES Nc1sc(CCC(=O)NCCCCCCNc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(c1C(=O)c1ccccc1)-c1cccc(c1)C(F)(F)F |r|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.00E+3n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00320
BindingDB Entry DOI: 10.7270/Q2JQ151Q
More data for this
Ligand-Target Pair