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Compile Data Set for Download or QSAR

Found 5 hits of kd for monomerid = 50520329   
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 A2a


(Homo sapiens (Human))
BDBM50520329
PNG
(CHEMBL4550896)
Show SMILES O=C(Nc1ccc2ccccc2n1)c1ccco1
Show InChI InChI=1S/C14H10N2O2/c17-14(12-6-3-9-18-12)16-13-8-7-10-4-1-2-5-11(10)15-13/h1-9H,(H,15,16,17)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 4.00E+4n/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 A3


(Homo sapiens (Human))
BDBM50520329
PNG
(CHEMBL4550896)
Show SMILES O=C(Nc1ccc2ccccc2n1)c1ccco1
Show InChI InChI=1S/C14H10N2O2/c17-14(12-6-3-9-18-12)16-13-8-7-10-4-1-2-5-11(10)15-13/h1-9H,(H,15,16,17)
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UniChem
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PubMed
n/an/an/a 5.60E+4n/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 A1


(Homo sapiens (Human))
BDBM50520329
PNG
(CHEMBL4550896)
Show SMILES O=C(Nc1ccc2ccccc2n1)c1ccco1
Show InChI InChI=1S/C14H10N2O2/c17-14(12-6-3-9-18-12)16-13-8-7-10-4-1-2-5-11(10)15-13/h1-9H,(H,15,16,17)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 5.90E+4n/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))
BDBM50520329
PNG
(CHEMBL4550896)
Show SMILES O=C(Nc1ccc2ccccc2n1)c1ccco1
Show InChI InChI=1S/C14H10N2O2/c17-14(12-6-3-9-18-12)16-13-8-7-10-4-1-2-5-11(10)15-13/h1-9H,(H,15,16,17)
PDB

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PC cid
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UniChem
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PubMed
n/an/an/a 1.23E+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
GTPase HRas


(Homo sapiens (Human))
BDBM50520329
PNG
(CHEMBL4550896)
Show SMILES O=C(Nc1ccc2ccccc2n1)c1ccco1
Show InChI InChI=1S/C14H10N2O2/c17-14(12-6-3-9-18-12)16-13-8-7-10-4-1-2-5-11(10)15-13/h1-9H,(H,15,16,17)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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DrugBank
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a>3.70E+5n/an/an/an/an/a



Frontier Medicines

Curated by ChEMBL


Assay Description
Inhibition GST-tagged recombinant HRAS G12V mutant (1 to 166 amino acids) (unknown origin) expressed in Escherichia coli C41(DE3) by SPR assay


J Med Chem 63: 4430-4444 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01581
BindingDB Entry DOI: 10.7270/Q2ZG6WM7
More data for this
Ligand-Target Pair