Found 4 hits for monomerid = 50341196 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 A2b
(Homo sapiens (Human)) | BDBM50341196
(CHEMBL1760897 | trans-N-(7-(N-ethylacetamido)-4-me...)Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@H]3CC[C@@H](CC3)NCc3cccc(c3)C(F)(F)F)sc12 |r,wU:18.17,wD:21.24,(30.23,-47.93,;30.23,-46.39,;31.56,-45.62,;32.9,-46.39,;34.23,-45.62,;32.9,-47.93,;31.56,-44.08,;30.23,-43.31,;30.23,-41.77,;31.56,-41,;31.55,-39.46,;32.89,-38.68,;32.89,-41.76,;34.37,-41.28,;35.28,-42.53,;36.82,-42.53,;37.59,-41.2,;36.82,-39.87,;39.13,-41.19,;39.89,-39.86,;41.44,-39.86,;42.2,-41.2,;41.43,-42.53,;39.89,-42.53,;43.74,-41.21,;44.51,-42.54,;46.04,-42.54,;46.8,-43.86,;48.33,-43.85,;49.09,-42.52,;48.31,-41.2,;46.79,-41.21,;49.07,-39.86,;50.61,-39.85,;48.29,-38.53,;49.83,-38.52,;34.37,-43.79,;32.89,-43.31,)| Show InChI InChI=1S/C27H31F3N4O3S/c1-4-34(16(2)35)21-12-13-22(37-3)23-24(21)38-26(32-23)33-25(36)18-8-10-20(11-9-18)31-15-17-6-5-7-19(14-17)27(28,29)30/h5-7,12-14,18,20,31H,4,8-11,15H2,1-3H3,(H,32,33,36)/t18-,20- | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description Displacement of [3H]ZM241385 from human adenosine A2B receptor expressed in CHO cells after 1 hr |
Bioorg Med Chem Lett 21: 1933-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.053 BindingDB Entry DOI: 10.7270/Q2959HWD |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50341196
(CHEMBL1760897 | trans-N-(7-(N-ethylacetamido)-4-me...)Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@H]3CC[C@@H](CC3)NCc3cccc(c3)C(F)(F)F)sc12 |r,wU:18.17,wD:21.24,(30.23,-47.93,;30.23,-46.39,;31.56,-45.62,;32.9,-46.39,;34.23,-45.62,;32.9,-47.93,;31.56,-44.08,;30.23,-43.31,;30.23,-41.77,;31.56,-41,;31.55,-39.46,;32.89,-38.68,;32.89,-41.76,;34.37,-41.28,;35.28,-42.53,;36.82,-42.53,;37.59,-41.2,;36.82,-39.87,;39.13,-41.19,;39.89,-39.86,;41.44,-39.86,;42.2,-41.2,;41.43,-42.53,;39.89,-42.53,;43.74,-41.21,;44.51,-42.54,;46.04,-42.54,;46.8,-43.86,;48.33,-43.85,;49.09,-42.52,;48.31,-41.2,;46.79,-41.21,;49.07,-39.86,;50.61,-39.85,;48.29,-38.53,;49.83,-38.52,;34.37,-43.79,;32.89,-43.31,)| Show InChI InChI=1S/C27H31F3N4O3S/c1-4-34(16(2)35)21-12-13-22(37-3)23-24(21)38-26(32-23)33-25(36)18-8-10-20(11-9-18)31-15-17-6-5-7-19(14-17)27(28,29)30/h5-7,12-14,18,20,31H,4,8-11,15H2,1-3H3,(H,32,33,36)/t18-,20- | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 67 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description Displacement of [3H]-DPCPX from human adenosine A1 receptor after 1 hr |
Bioorg Med Chem Lett 21: 1933-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.053 BindingDB Entry DOI: 10.7270/Q2959HWD |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50341196
(CHEMBL1760897 | trans-N-(7-(N-ethylacetamido)-4-me...)Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@H]3CC[C@@H](CC3)NCc3cccc(c3)C(F)(F)F)sc12 |r,wU:18.17,wD:21.24,(30.23,-47.93,;30.23,-46.39,;31.56,-45.62,;32.9,-46.39,;34.23,-45.62,;32.9,-47.93,;31.56,-44.08,;30.23,-43.31,;30.23,-41.77,;31.56,-41,;31.55,-39.46,;32.89,-38.68,;32.89,-41.76,;34.37,-41.28,;35.28,-42.53,;36.82,-42.53,;37.59,-41.2,;36.82,-39.87,;39.13,-41.19,;39.89,-39.86,;41.44,-39.86,;42.2,-41.2,;41.43,-42.53,;39.89,-42.53,;43.74,-41.21,;44.51,-42.54,;46.04,-42.54,;46.8,-43.86,;48.33,-43.85,;49.09,-42.52,;48.31,-41.2,;46.79,-41.21,;49.07,-39.86,;50.61,-39.85,;48.29,-38.53,;49.83,-38.52,;34.37,-43.79,;32.89,-43.31,)| Show InChI InChI=1S/C27H31F3N4O3S/c1-4-34(16(2)35)21-12-13-22(37-3)23-24(21)38-26(32-23)33-25(36)18-8-10-20(11-9-18)31-15-17-6-5-7-19(14-17)27(28,29)30/h5-7,12-14,18,20,31H,4,8-11,15H2,1-3H3,(H,32,33,36)/t18-,20- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor after 1 hr |
Bioorg Med Chem Lett 21: 1933-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.053 BindingDB Entry DOI: 10.7270/Q2959HWD |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50341196
(CHEMBL1760897 | trans-N-(7-(N-ethylacetamido)-4-me...)Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@H]3CC[C@@H](CC3)NCc3cccc(c3)C(F)(F)F)sc12 |r,wU:18.17,wD:21.24,(30.23,-47.93,;30.23,-46.39,;31.56,-45.62,;32.9,-46.39,;34.23,-45.62,;32.9,-47.93,;31.56,-44.08,;30.23,-43.31,;30.23,-41.77,;31.56,-41,;31.55,-39.46,;32.89,-38.68,;32.89,-41.76,;34.37,-41.28,;35.28,-42.53,;36.82,-42.53,;37.59,-41.2,;36.82,-39.87,;39.13,-41.19,;39.89,-39.86,;41.44,-39.86,;42.2,-41.2,;41.43,-42.53,;39.89,-42.53,;43.74,-41.21,;44.51,-42.54,;46.04,-42.54,;46.8,-43.86,;48.33,-43.85,;49.09,-42.52,;48.31,-41.2,;46.79,-41.21,;49.07,-39.86,;50.61,-39.85,;48.29,-38.53,;49.83,-38.52,;34.37,-43.79,;32.89,-43.31,)| Show InChI InChI=1S/C27H31F3N4O3S/c1-4-34(16(2)35)21-12-13-22(37-3)23-24(21)38-26(32-23)33-25(36)18-8-10-20(11-9-18)31-15-17-6-5-7-19(14-17)27(28,29)30/h5-7,12-14,18,20,31H,4,8-11,15H2,1-3H3,(H,32,33,36)/t18-,20- | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description Inhibition of human adenosine A2B receptor expressed in CHO cells assessed as decrease in cellular cAMP level after 20 to 25 mins |
Bioorg Med Chem Lett 21: 1933-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.053 BindingDB Entry DOI: 10.7270/Q2959HWD |
More data for this Ligand-Target Pair | |