Found 3 hits for monomerid = 50583648 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)) | BDBM50583648
(CHEMBL5092175)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)CCNC(=O)CCCCNC(=O)CCCCNC(=O)COc2ccc(\C=C\C3=[N+]4C(C=C3)=Cc3ccc(-c5cccs5)n3[B-]4(F)F)cc2)cc1 |c:63,65,t:60,(15.68,-14.66,;15.67,-13.11,;14.33,-12.34,;14.33,-10.79,;15.68,-10.02,;17.15,-10.49,;18.04,-9.24,;17.13,-8,;15.67,-8.48,;14.33,-7.7,;14.33,-6.15,;12.99,-8.48,;11.65,-7.71,;11.65,-6.16,;10.3,-5.39,;12.99,-10.02,;11.65,-10.8,;19.58,-9.22,;20.35,-10.54,;21.88,-10.53,;22.64,-9.19,;24.18,-9.17,;24.96,-10.5,;26.5,-10.48,;27.26,-9.14,;27.29,-11.81,;28.83,-11.79,;29.61,-13.11,;31.15,-13.09,;31.94,-14.42,;31.18,-15.76,;33.48,-14.4,;34.26,-15.73,;35.8,-15.71,;36.59,-17.03,;35.83,-18.38,;38.13,-17.02,;38.91,-18.34,;40.45,-18.32,;41.24,-19.65,;42.78,-19.63,;43.56,-20.95,;42.81,-22.3,;45.1,-20.94,;45.89,-22.26,;47.43,-22.24,;48.21,-23.57,;49.75,-23.55,;50.54,-24.88,;49.78,-26.22,;52.08,-24.86,;52.86,-26.18,;54.4,-26.17,;55.18,-27.5,;56.72,-27.48,;57.47,-26.14,;59.01,-26.12,;59.8,-27.44,;61.34,-27.42,;62.84,-27.77,;62.98,-29.31,;61.55,-29.92,;60.54,-28.75,;64.38,-29.97,;65.65,-29.08,;67.16,-29.42,;67.95,-28.09,;66.94,-26.93,;67.28,-25.43,;68.71,-24.81,;68.57,-23.27,;67.06,-22.92,;66.26,-24.25,;65.51,-27.54,;64.09,-26.87,;63.01,-25.79,;65.01,-25.63,;56.68,-24.81,;55.15,-24.83,;21.85,-7.86,;20.32,-7.89,)| | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 34 | 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)) | BDBM50583648
(CHEMBL5092175)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)CCNC(=O)CCCCNC(=O)CCCCNC(=O)COc2ccc(\C=C\C3=[N+]4C(C=C3)=Cc3ccc(-c5cccs5)n3[B-]4(F)F)cc2)cc1 |c:63,65,t:60,(15.68,-14.66,;15.67,-13.11,;14.33,-12.34,;14.33,-10.79,;15.68,-10.02,;17.15,-10.49,;18.04,-9.24,;17.13,-8,;15.67,-8.48,;14.33,-7.7,;14.33,-6.15,;12.99,-8.48,;11.65,-7.71,;11.65,-6.16,;10.3,-5.39,;12.99,-10.02,;11.65,-10.8,;19.58,-9.22,;20.35,-10.54,;21.88,-10.53,;22.64,-9.19,;24.18,-9.17,;24.96,-10.5,;26.5,-10.48,;27.26,-9.14,;27.29,-11.81,;28.83,-11.79,;29.61,-13.11,;31.15,-13.09,;31.94,-14.42,;31.18,-15.76,;33.48,-14.4,;34.26,-15.73,;35.8,-15.71,;36.59,-17.03,;35.83,-18.38,;38.13,-17.02,;38.91,-18.34,;40.45,-18.32,;41.24,-19.65,;42.78,-19.63,;43.56,-20.95,;42.81,-22.3,;45.1,-20.94,;45.89,-22.26,;47.43,-22.24,;48.21,-23.57,;49.75,-23.55,;50.54,-24.88,;49.78,-26.22,;52.08,-24.86,;52.86,-26.18,;54.4,-26.17,;55.18,-27.5,;56.72,-27.48,;57.47,-26.14,;59.01,-26.12,;59.8,-27.44,;61.34,-27.42,;62.84,-27.77,;62.98,-29.31,;61.55,-29.92,;60.54,-28.75,;64.38,-29.97,;65.65,-29.08,;67.16,-29.42,;67.95,-28.09,;66.94,-26.93,;67.28,-25.43,;68.71,-24.81,;68.57,-23.27,;67.06,-22.92,;66.26,-24.25,;65.51,-27.54,;64.09,-26.87,;63.01,-25.79,;65.01,-25.63,;56.68,-24.81,;55.15,-24.83,;21.85,-7.86,;20.32,-7.89,)| | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 6.20 | 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 | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50583648
(CHEMBL5092175)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)CCNC(=O)CCCCNC(=O)CCCCNC(=O)COc2ccc(\C=C\C3=[N+]4C(C=C3)=Cc3ccc(-c5cccs5)n3[B-]4(F)F)cc2)cc1 |c:63,65,t:60,(15.68,-14.66,;15.67,-13.11,;14.33,-12.34,;14.33,-10.79,;15.68,-10.02,;17.15,-10.49,;18.04,-9.24,;17.13,-8,;15.67,-8.48,;14.33,-7.7,;14.33,-6.15,;12.99,-8.48,;11.65,-7.71,;11.65,-6.16,;10.3,-5.39,;12.99,-10.02,;11.65,-10.8,;19.58,-9.22,;20.35,-10.54,;21.88,-10.53,;22.64,-9.19,;24.18,-9.17,;24.96,-10.5,;26.5,-10.48,;27.26,-9.14,;27.29,-11.81,;28.83,-11.79,;29.61,-13.11,;31.15,-13.09,;31.94,-14.42,;31.18,-15.76,;33.48,-14.4,;34.26,-15.73,;35.8,-15.71,;36.59,-17.03,;35.83,-18.38,;38.13,-17.02,;38.91,-18.34,;40.45,-18.32,;41.24,-19.65,;42.78,-19.63,;43.56,-20.95,;42.81,-22.3,;45.1,-20.94,;45.89,-22.26,;47.43,-22.24,;48.21,-23.57,;49.75,-23.55,;50.54,-24.88,;49.78,-26.22,;52.08,-24.86,;52.86,-26.18,;54.4,-26.17,;55.18,-27.5,;56.72,-27.48,;57.47,-26.14,;59.01,-26.12,;59.8,-27.44,;61.34,-27.42,;62.84,-27.77,;62.98,-29.31,;61.55,-29.92,;60.54,-28.75,;64.38,-29.97,;65.65,-29.08,;67.16,-29.42,;67.95,-28.09,;66.94,-26.93,;67.28,-25.43,;68.71,-24.81,;68.57,-23.27,;67.06,-22.92,;66.26,-24.25,;65.51,-27.54,;64.09,-26.87,;63.01,-25.79,;65.01,-25.63,;56.68,-24.81,;55.15,-24.83,;21.85,-7.86,;20.32,-7.89,)| | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to N-terminal NLuc tagged rat 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 | |