Found 2 hits for monomerid = 50583647 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50583647
(CHEMBL5081913)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)CCCCNC(=O)COc2ccc(\C=C\C3=[N+]4C(C=C3)=Cc3ccc(-c5cccs5)n3[B-]4(F)F)cc2)cc1 |c:51,53,t:48,(40.32,-39.99,;40.32,-38.44,;38.98,-37.67,;38.97,-36.12,;40.32,-35.35,;41.79,-35.82,;42.68,-34.57,;41.77,-33.33,;40.31,-33.81,;38.97,-33.03,;38.97,-31.49,;37.64,-33.81,;36.3,-33.04,;36.29,-31.5,;34.95,-30.73,;37.64,-35.36,;36.3,-36.13,;44.21,-34.55,;44.99,-35.87,;46.52,-35.86,;47.27,-34.52,;48.81,-34.5,;49.6,-35.83,;51.13,-35.81,;51.89,-34.47,;51.92,-37.13,;53.46,-37.12,;54.24,-38.44,;55.78,-38.42,;56.56,-39.75,;55.81,-41.09,;58.1,-39.73,;58.89,-41.05,;60.43,-41.03,;61.21,-42.36,;62.75,-42.34,;63.53,-43.66,;62.78,-45,;65.07,-43.65,;65.85,-44.97,;67.39,-44.95,;68.17,-46.28,;69.71,-46.26,;70.46,-44.92,;72,-44.9,;72.79,-46.22,;74.32,-46.2,;75.82,-46.55,;75.96,-48.09,;74.54,-48.7,;73.52,-47.53,;77.36,-48.75,;78.63,-47.86,;80.13,-48.2,;80.93,-46.88,;79.91,-45.71,;80.26,-44.21,;81.68,-43.6,;81.54,-42.06,;80.03,-41.71,;79.24,-43.04,;78.49,-46.32,;77.07,-45.65,;75.99,-44.57,;77.99,-44.41,;69.67,-43.59,;68.14,-43.62,;46.48,-33.2,;44.95,-33.22,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 9.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to N-terminal NLuc tagged human A1 adenosine receptor expressed in Flp-In-CHO cells by competitive binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02067
BindingDB Entry DOI: 10.7270/Q2CV4NM3 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50583647
(CHEMBL5081913)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)CCCCNC(=O)COc2ccc(\C=C\C3=[N+]4C(C=C3)=Cc3ccc(-c5cccs5)n3[B-]4(F)F)cc2)cc1 |c:51,53,t:48,(40.32,-39.99,;40.32,-38.44,;38.98,-37.67,;38.97,-36.12,;40.32,-35.35,;41.79,-35.82,;42.68,-34.57,;41.77,-33.33,;40.31,-33.81,;38.97,-33.03,;38.97,-31.49,;37.64,-33.81,;36.3,-33.04,;36.29,-31.5,;34.95,-30.73,;37.64,-35.36,;36.3,-36.13,;44.21,-34.55,;44.99,-35.87,;46.52,-35.86,;47.27,-34.52,;48.81,-34.5,;49.6,-35.83,;51.13,-35.81,;51.89,-34.47,;51.92,-37.13,;53.46,-37.12,;54.24,-38.44,;55.78,-38.42,;56.56,-39.75,;55.81,-41.09,;58.1,-39.73,;58.89,-41.05,;60.43,-41.03,;61.21,-42.36,;62.75,-42.34,;63.53,-43.66,;62.78,-45,;65.07,-43.65,;65.85,-44.97,;67.39,-44.95,;68.17,-46.28,;69.71,-46.26,;70.46,-44.92,;72,-44.9,;72.79,-46.22,;74.32,-46.2,;75.82,-46.55,;75.96,-48.09,;74.54,-48.7,;73.52,-47.53,;77.36,-48.75,;78.63,-47.86,;80.13,-48.2,;80.93,-46.88,;79.91,-45.71,;80.26,-44.21,;81.68,-43.6,;81.54,-42.06,;80.03,-41.71,;79.24,-43.04,;78.49,-46.32,;77.07,-45.65,;75.99,-44.57,;77.99,-44.41,;69.67,-43.59,;68.14,-43.62,;46.48,-33.2,;44.95,-33.22,)| | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at N-terminal NLuc tagged human A3 adenosine receptor |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02067
BindingDB Entry DOI: 10.7270/Q2CV4NM3 |
More data for this
Ligand-Target Pair | |
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