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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2b' and Ligand = 'BDBM50275499'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50275499
PNG
(2-(4-fluorophenyl)-3-(4-pyridinyl)pyrazolo-[1,5-a]...)
Show SMILES Fc1ccc(cc1)-c1nn2ccccc2c1-c1ccncc1
Show InChI InChI=1S/C18H12FN3/c19-15-6-4-14(5-7-15)18-17(13-8-10-20-11-9-13)16-3-1-2-12-22(16)21-18/h1-12H
PDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/an/a 1.5n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00099
BindingDB Entry DOI: 10.7270/Q23200WW
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50275499
PNG
(2-(4-fluorophenyl)-3-(4-pyridinyl)pyrazolo-[1,5-a]...)
Show SMILES Fc1ccc(cc1)-c1nn2ccccc2c1-c1ccncc1
Show InChI InChI=1S/C18H12FN3/c19-15-6-4-14(5-7-15)18-17(13-8-10-20-11-9-13)16-3-1-2-12-22(16)21-18/h1-12H
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 280n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00099
BindingDB Entry DOI: 10.7270/Q23200WW
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50275499
PNG
(2-(4-fluorophenyl)-3-(4-pyridinyl)pyrazolo-[1,5-a]...)
Show SMILES Fc1ccc(cc1)-c1nn2ccccc2c1-c1ccncc1
Show InChI InChI=1S/C18H12FN3/c19-15-6-4-14(5-7-15)18-17(13-8-10-20-11-9-13)16-3-1-2-12-22(16)21-18/h1-12H
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 1.5n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00099
BindingDB Entry DOI: 10.7270/Q23200WW
More data for this
Ligand-Target Pair