Found 16 hits Enz. Inhib. hit(s) with all data for entry = 50041821 Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50416331
(CHEMBL1170167)Show SMILES CCCn1c(=O)[nH]c2cc([nH]c2c1=O)-c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1 Show InChI InChI=1S/C23H21BrN4O4/c1-2-11-28-22(30)21-19(27-23(28)31)12-18(26-21)14-3-9-17(10-4-14)32-13-20(29)25-16-7-5-15(24)6-8-16/h3-10,12,26H,2,11,13H2,1H3,(H,25,29)(H,27,31) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.74 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de A Coru£a
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in CHO-A1 cells after 60 mins |
Eur J Med Chem 45: 2884-92 (2010)
Article DOI: 10.1016/j.ejmech.2010.03.011 BindingDB Entry DOI: 10.7270/Q2T72JPT |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50416330
(CHEMBL1170166)Show SMILES CCCn1c(=O)[nH]c2cc([nH]c2c1=O)-c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 Show InChI InChI=1S/C23H21FN4O4/c1-2-11-28-22(30)21-19(27-23(28)31)12-18(26-21)14-3-9-17(10-4-14)32-13-20(29)25-16-7-5-15(24)6-8-16/h3-10,12,26H,2,11,13H2,1H3,(H,25,29)(H,27,31) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.34 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de A Coru£a
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human recombinant adenosine A2B receptor expressed in HEK293 cells after 30 mins |
Eur J Med Chem 45: 2884-92 (2010)
Article DOI: 10.1016/j.ejmech.2010.03.011 BindingDB Entry DOI: 10.7270/Q2T72JPT |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50416331
(CHEMBL1170167)Show SMILES CCCn1c(=O)[nH]c2cc([nH]c2c1=O)-c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1 Show InChI InChI=1S/C23H21BrN4O4/c1-2-11-28-22(30)21-19(27-23(28)31)12-18(26-21)14-3-9-17(10-4-14)32-13-20(29)25-16-7-5-15(24)6-8-16/h3-10,12,26H,2,11,13H2,1H3,(H,25,29)(H,27,31) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.55 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de A Coru£a
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human recombinant adenosine A2B receptor expressed in HEK293 cells after 30 mins |
Eur J Med Chem 45: 2884-92 (2010)
Article DOI: 10.1016/j.ejmech.2010.03.011 BindingDB Entry DOI: 10.7270/Q2T72JPT |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50416325
(CHEMBL1170990)Show SMILES CCCn1c2cc([nH]c2c(=O)[nH]c1=O)-c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1 Show InChI InChI=1S/C23H21BrN4O4/c1-2-11-28-19-12-18(26-21(19)22(30)27-23(28)31)14-3-9-17(10-4-14)32-13-20(29)25-16-7-5-15(24)6-8-16/h3-10,12,26H,2,11,13H2,1H3,(H,25,29)(H,27,30,31) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 21.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de A Coru£a
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human recombinant adenosine A2B receptor expressed in HEK293 cells after 30 mins |
Eur J Med Chem 45: 2884-92 (2010)
Article DOI: 10.1016/j.ejmech.2010.03.011 BindingDB Entry DOI: 10.7270/Q2T72JPT |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50416334
(CHEMBL1171380)Show SMILES CCCn1c(=O)n(C)c2cc(-c3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)n(C)c2c1=O Show InChI InChI=1S/C25H25FN4O4/c1-4-13-30-24(32)23-21(29(3)25(30)33)14-20(28(23)2)16-5-11-19(12-6-16)34-15-22(31)27-18-9-7-17(26)8-10-18/h5-12,14H,4,13,15H2,1-3H3,(H,27,31) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 30.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de A Coru£a
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human recombinant adenosine A2B receptor expressed in HEK293 cells after 30 mins |
Eur J Med Chem 45: 2884-92 (2010)
Article DOI: 10.1016/j.ejmech.2010.03.011 BindingDB Entry DOI: 10.7270/Q2T72JPT |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50416332
(CHEMBL1172502)Show SMILES CCCn1c(=O)[nH]c2cc([nH]c2c1=O)-c1ccc(OCc2nc(no2)-c2ccc(Br)cc2)cc1 Show InChI InChI=1S/C24H20BrN5O4/c1-2-11-30-23(31)21-19(27-24(30)32)12-18(26-21)14-5-9-17(10-6-14)33-13-20-28-22(29-34-20)15-3-7-16(25)8-4-15/h3-10,12,26H,2,11,13H2,1H3,(H,27,32) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 31.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de A Coru£a
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human recombinant adenosine A2B receptor expressed in HEK293 cells after 30 mins |
Eur J Med Chem 45: 2884-92 (2010)
Article DOI: 10.1016/j.ejmech.2010.03.011 BindingDB Entry DOI: 10.7270/Q2T72JPT |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50416333
(CHEMBL1171379)Show SMILES COc1cc(OCc2nc(no2)-c2ccc(Br)cc2)ccc1-c1cc2n(C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C24H20BrN5O5/c1-29-18-11-17(26-21(18)23(31)30(2)24(29)32)16-9-8-15(10-19(16)33-3)34-12-20-27-22(28-35-20)13-4-6-14(25)7-5-13/h4-11,26H,12H2,1-3H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 40.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de A Coru£a
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human recombinant adenosine A2B receptor expressed in HEK293 cells after 30 mins |
Eur J Med Chem 45: 2884-92 (2010)
Article DOI: 10.1016/j.ejmech.2010.03.011 BindingDB Entry DOI: 10.7270/Q2T72JPT |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50416330
(CHEMBL1170166)Show SMILES CCCn1c(=O)[nH]c2cc([nH]c2c1=O)-c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 Show InChI InChI=1S/C23H21FN4O4/c1-2-11-28-22(30)21-19(27-23(28)31)12-18(26-21)14-3-9-17(10-4-14)32-13-20(29)25-16-7-5-15(24)6-8-16/h3-10,12,26H,2,11,13H2,1H3,(H,25,29)(H,27,31) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 75.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de A Coru£a
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in CHO-A1 cells after 60 mins |
Eur J Med Chem 45: 2884-92 (2010)
Article DOI: 10.1016/j.ejmech.2010.03.011 BindingDB Entry DOI: 10.7270/Q2T72JPT |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50416329
(CHEMBL1169972)Show SMILES CCCn1c2cc([nH]c2c(=O)[nH]c1=O)-c1ccc(OCC(=O)N2CCc3ccccc3C2)cc1 Show InChI InChI=1S/C26H26N4O4/c1-2-12-30-22-14-21(27-24(22)25(32)28-26(30)33)18-7-9-20(10-8-18)34-16-23(31)29-13-11-17-5-3-4-6-19(17)15-29/h3-10,14,27H,2,11-13,15-16H2,1H3,(H,28,32,33) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 79.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de A Coru£a
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human recombinant adenosine A2B receptor expressed in HEK293 cells after 30 mins |
Eur J Med Chem 45: 2884-92 (2010)
Article DOI: 10.1016/j.ejmech.2010.03.011 BindingDB Entry DOI: 10.7270/Q2T72JPT |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50416335
(CHEMBL1170168)Show SMILES CCCn1c2cc(-c3ccc(OCC(=O)N4CCc5ccccc5C4)cc3)n(C)c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C30H34N4O4/c1-4-15-33-26-18-25(31(3)28(26)29(36)34(16-5-2)30(33)37)22-10-12-24(13-11-22)38-20-27(35)32-17-14-21-8-6-7-9-23(21)19-32/h6-13,18H,4-5,14-17,19-20H2,1-3H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 97.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de A Coru£a
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human recombinant adenosine A2B receptor expressed in HEK293 cells after 30 mins |
Eur J Med Chem 45: 2884-92 (2010)
Article DOI: 10.1016/j.ejmech.2010.03.011 BindingDB Entry DOI: 10.7270/Q2T72JPT |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50416326
(CHEMBL1169969)Show SMILES CCCn1c2cc([nH]c2c(=O)[nH]c1=O)-c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 Show InChI InChI=1S/C23H21FN4O4/c1-2-11-28-19-12-18(26-21(19)22(30)27-23(28)31)14-3-9-17(10-4-14)32-13-20(29)25-16-7-5-15(24)6-8-16/h3-10,12,26H,2,11,13H2,1H3,(H,25,29)(H,27,30,31) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de A Coru£a
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human recombinant adenosine A2B receptor expressed in HEK293 cells after 30 mins |
Eur J Med Chem 45: 2884-92 (2010)
Article DOI: 10.1016/j.ejmech.2010.03.011 BindingDB Entry DOI: 10.7270/Q2T72JPT |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50416328
(CHEMBL1169971)Show SMILES CCCn1c2cc([nH]c2c(=O)[nH]c1=O)-c1ccc(OCC(=O)N2CCN(CC2)c2ccccc2)cc1 Show InChI InChI=1S/C27H29N5O4/c1-2-12-32-23-17-22(28-25(23)26(34)29-27(32)35)19-8-10-21(11-9-19)36-18-24(33)31-15-13-30(14-16-31)20-6-4-3-5-7-20/h3-11,17,28H,2,12-16,18H2,1H3,(H,29,34,35) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 115 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de A Coru£a
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human recombinant adenosine A2B receptor expressed in HEK293 cells after 30 mins |
Eur J Med Chem 45: 2884-92 (2010)
Article DOI: 10.1016/j.ejmech.2010.03.011 BindingDB Entry DOI: 10.7270/Q2T72JPT |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50416333
(CHEMBL1171379)Show SMILES COc1cc(OCc2nc(no2)-c2ccc(Br)cc2)ccc1-c1cc2n(C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C24H20BrN5O5/c1-29-18-11-17(26-21(18)23(31)30(2)24(29)32)16-9-8-15(10-19(16)33-3)34-12-20-27-22(28-35-20)13-4-6-14(25)7-5-13/h4-11,26H,12H2,1-3H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 182 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de A Coru£a
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in CHO-A1 cells after 60 mins |
Eur J Med Chem 45: 2884-92 (2010)
Article DOI: 10.1016/j.ejmech.2010.03.011 BindingDB Entry DOI: 10.7270/Q2T72JPT |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50416333
(CHEMBL1171379)Show SMILES COc1cc(OCc2nc(no2)-c2ccc(Br)cc2)ccc1-c1cc2n(C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C24H20BrN5O5/c1-29-18-11-17(26-21(18)23(31)30(2)24(29)32)16-9-8-15(10-19(16)33-3)34-12-20-27-22(28-35-20)13-4-6-14(25)7-5-13/h4-11,26H,12H2,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 708 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de A Coru£a
Curated by ChEMBL
| Assay Description Displacement of [3H]ZM241385 from human recombinant adenosine A2A receptor expressed in human HeLa cells after 30 mins |
Eur J Med Chem 45: 2884-92 (2010)
Article DOI: 10.1016/j.ejmech.2010.03.011 BindingDB Entry DOI: 10.7270/Q2T72JPT |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50416327
(CHEMBL1169970)Show SMILES CCCn1c2cc([nH]c2c(=O)[nH]c1=O)-c1ccc(OCC(=O)Nc2ccccc2)cc1 Show InChI InChI=1S/C23H22N4O4/c1-2-12-27-19-13-18(25-21(19)22(29)26-23(27)30)15-8-10-17(11-9-15)31-14-20(28)24-16-6-4-3-5-7-16/h3-11,13,25H,2,12,14H2,1H3,(H,24,28)(H,26,29,30) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.05E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de A Coru£a
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human recombinant adenosine A2B receptor expressed in HEK293 cells after 30 mins |
Eur J Med Chem 45: 2884-92 (2010)
Article DOI: 10.1016/j.ejmech.2010.03.011 BindingDB Entry DOI: 10.7270/Q2T72JPT |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50416330
(CHEMBL1170166)Show SMILES CCCn1c(=O)[nH]c2cc([nH]c2c1=O)-c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 Show InChI InChI=1S/C23H21FN4O4/c1-2-11-28-22(30)21-19(27-23(28)31)12-18(26-21)14-3-9-17(10-4-14)32-13-20(29)25-16-7-5-15(24)6-8-16/h3-10,12,26H,2,11,13H2,1H3,(H,25,29)(H,27,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6.46E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de A Coru£a
Curated by ChEMBL
| Assay Description Displacement of [3H]ZM241385 from human recombinant adenosine A2A receptor expressed in human HeLa cells after 30 mins |
Eur J Med Chem 45: 2884-92 (2010)
Article DOI: 10.1016/j.ejmech.2010.03.011 BindingDB Entry DOI: 10.7270/Q2T72JPT |
More data for this Ligand-Target Pair | |