Found 86 hits with Last Name = 'mestres' and Initial = 'j' 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)) | BDBM50415880
(CHEMBL1097489)Show SMILES CCn1n2c(nc(O)c2c2ccccc2c1=O)-c1cccc(OCC=C)c1 Show InChI InChI=1S/C21H19N3O3/c1-3-12-27-15-9-7-8-14(13-15)19-22-20(25)18-16-10-5-6-11-17(16)21(26)23(4-2)24(18)19/h3,5-11,13,25H,1,4,12H2,2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
| Article PubMed
| 15.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade do Minho
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 60 mins by beta scintillation counting |
Bioorg Med Chem 18: 3043-52 (2010)
Article DOI: 10.1016/j.bmc.2010.03.048 BindingDB Entry DOI: 10.7270/Q20V8F13 |
More data for this Ligand-Target Pair | |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM14029
((R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXA...)Show SMILES [H][C@@]1(CC[C@@]([H])(CC1)C(=O)Nc1ccncc1)[C@@H](C)N |r,wU:4.4,1.18,17.20,wD:4.8,1.0,(1.92,.41,;1.06,-.86,;-.27,-1.63,;-1.61,-.86,;-1.61,.68,;-1.61,2.22,;-.27,1.45,;1.06,.68,;-2.94,1.45,;-2.94,2.99,;-4.27,.68,;-5.61,1.45,;-5.61,2.99,;-6.94,3.76,;-8.28,2.99,;-8.28,1.45,;-6.94,.68,;2.6,-.86,;3.37,.47,;3.37,-2.2,)| Show InChI InChI=1S/C14H21N3O/c1-10(15)11-2-4-12(5-3-11)14(18)17-13-6-8-16-9-7-13/h6-12H,2-5,15H2,1H3,(H,16,17,18)/t10-,11-,12-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank MMDB PDB Article PubMed
| 25.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description Inhibition of ROCK-1 |
Bioorg Med Chem Lett 21: 97-101 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.060 BindingDB Entry DOI: 10.7270/Q29W0GQK |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM14031
(5-(1,4-diazepane-1-sulfonyl)-1,2-dihydroisoquinoli...)Show InChI InChI=1S/C14H17N3O3S/c18-14-12-3-1-4-13(11(12)5-7-16-14)21(19,20)17-9-2-6-15-8-10-17/h1,3-5,7,15H,2,6,8-10H2,(H,16,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| 31.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description Inhibition of ROCK-1 |
Bioorg Med Chem Lett 21: 97-101 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.060 BindingDB Entry DOI: 10.7270/Q29W0GQK |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50417674
(CHEMBL1643361)Show InChI InChI=1S/C18H19N3/c19-18-17-7-6-15(12-16(17)9-11-21-18)13-20-10-8-14-4-2-1-3-5-14/h1-7,9,11-12,20H,8,10,13H2,(H2,19,21) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 63.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description Inhibition of ROCK-1 |
Bioorg Med Chem Lett 21: 97-101 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.060 BindingDB Entry DOI: 10.7270/Q29W0GQK |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50386103
(CHEMBL1990267)Show InChI InChI=1S/C11H10N2O3/c1-15-8-4-2-3-6-5-7(10(12)14)11(13)16-9(6)8/h2-5,13H,1H3,(H2,12,14) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
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 do Minho
Curated by ChEMBL
| Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in human HeLa cells after 30 mins by beta scintillation counting |
Eur J Med Chem 54: 303-10 (2012)
Article DOI: 10.1016/j.ejmech.2012.05.009 BindingDB Entry DOI: 10.7270/Q2930V6G |
More data for this Ligand-Target Pair | |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM14027
(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)Show InChI InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description Inhibition of ROCK-1 |
Bioorg Med Chem Lett 21: 97-101 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.060 BindingDB Entry DOI: 10.7270/Q29W0GQK |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50386110
(CHEMBL2042073)Show InChI InChI=1S/C19H18N2O4/c1-24-16-4-2-3-13-11-15(18(20)25-17(13)16)19(23)21-10-9-12-5-7-14(22)8-6-12/h2-8,11,20,22H,9-10H2,1H3,(H,21,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 126 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade do Minho
Curated by ChEMBL
| Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in human HeLa cells after 30 mins by beta scintillation counting |
Eur J Med Chem 54: 303-10 (2012)
Article DOI: 10.1016/j.ejmech.2012.05.009 BindingDB Entry DOI: 10.7270/Q2930V6G |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50415880
(CHEMBL1097489)Show SMILES CCn1n2c(nc(O)c2c2ccccc2c1=O)-c1cccc(OCC=C)c1 Show InChI InChI=1S/C21H19N3O3/c1-3-12-27-15-9-7-8-14(13-15)19-22-20(25)18-16-10-5-6-11-17(16)21(26)23(4-2)24(18)19/h3,5-11,13,25H,1,4,12H2,2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
| Article PubMed
| 158 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade do Minho
Curated by ChEMBL
| Assay Description Antagonist activity at human adenosine A1 receptor expressed in forskolin-stimulated CHO cells assessed as inhibition of NSCA-induced decrease in cAM... |
Bioorg Med Chem 18: 3043-52 (2010)
Article DOI: 10.1016/j.bmc.2010.03.048 BindingDB Entry DOI: 10.7270/Q20V8F13 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50386103
(CHEMBL1990267)Show InChI InChI=1S/C11H10N2O3/c1-15-8-4-2-3-6-5-7(10(12)14)11(13)16-9(6)8/h2-5,13H,1H3,(H2,12,14) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 316 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade do Minho
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 30 mins by beta scintillation counting |
Eur J Med Chem 54: 303-10 (2012)
Article DOI: 10.1016/j.ejmech.2012.05.009 BindingDB Entry DOI: 10.7270/Q2930V6G |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50415879
(CHEMBL1099202)Show SMILES Cc1ccc(cc1)-c1ncc2[nH]c(=O)n(Cc3ccccc3)c2n1 Show InChI InChI=1S/C19H16N4O/c1-13-7-9-15(10-8-13)17-20-11-16-18(22-17)23(19(24)21-16)12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,21,24) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 316 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade do Minho
Curated by ChEMBL
| Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cells after 180 mins by beta scintillation counting |
Bioorg Med Chem 18: 3043-52 (2010)
Article DOI: 10.1016/j.bmc.2010.03.048 BindingDB Entry DOI: 10.7270/Q20V8F13 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50386106
(CHEMBL2042091)Show InChI InChI=1S/C12H11NO4/c1-16-10-5-3-4-8(11(10)14)6-9(7-13)12(15)17-2/h3-6,14H,1-2H3/b9-6+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
| Article PubMed
| 316 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade do Minho
Curated by ChEMBL
| Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in human HeLa cells after 30 mins by beta scintillation counting |
Eur J Med Chem 54: 303-10 (2012)
Article DOI: 10.1016/j.ejmech.2012.05.009 BindingDB Entry DOI: 10.7270/Q2930V6G |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50386113
(CHEMBL2042061)Show SMILES COc1cccc2cc(C(=O)NCCCN3CCN(CCCNC(=O)c4cc5cccc(OC)c5oc4=N)CC3)c(=N)oc12 Show InChI InChI=1S/C32H38N6O6/c1-41-25-9-3-7-21-19-23(29(33)43-27(21)25)31(39)35-11-5-13-37-15-17-38(18-16-37)14-6-12-36-32(40)24-20-22-8-4-10-26(42-2)28(22)44-30(24)34/h3-4,7-10,19-20,33-34H,5-6,11-18H2,1-2H3,(H,35,39)(H,36,40) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 316 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade do Minho
Curated by ChEMBL
| Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in human HeLa cells after 30 mins by beta scintillation counting |
Eur J Med Chem 54: 303-10 (2012)
Article DOI: 10.1016/j.ejmech.2012.05.009 BindingDB Entry DOI: 10.7270/Q2930V6G |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50386105
(CHEMBL2042058)Show InChI InChI=1S/C16H18N2O3/c1-20-13-8-4-5-10-9-12(15(17)21-14(10)13)16(19)18-11-6-2-3-7-11/h4-5,8-9,11,17H,2-3,6-7H2,1H3,(H,18,19) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 398 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade do Minho
Curated by ChEMBL
| Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in human HeLa cells after 30 mins by beta scintillation counting |
Eur J Med Chem 54: 303-10 (2012)
Article DOI: 10.1016/j.ejmech.2012.05.009 BindingDB Entry DOI: 10.7270/Q2930V6G |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50386103
(CHEMBL1990267)Show InChI InChI=1S/C11H10N2O3/c1-15-8-4-2-3-6-5-7(10(12)14)11(13)16-9(6)8/h2-5,13H,1H3,(H2,12,14) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 398 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade do Minho
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 60 mins by beta scintillation counting |
Eur J Med Chem 54: 303-10 (2012)
Article DOI: 10.1016/j.ejmech.2012.05.009 BindingDB Entry DOI: 10.7270/Q2930V6G |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50386115
(CHEMBL2042059)Show InChI InChI=1S/C17H20N2O3/c1-21-14-9-5-6-11-10-13(16(18)22-15(11)14)17(20)19-12-7-3-2-4-8-12/h5-6,9-10,12,18H,2-4,7-8H2,1H3,(H,19,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 398 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade do Minho
Curated by ChEMBL
| Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in human HeLa cells after 30 mins by beta scintillation counting |
Eur J Med Chem 54: 303-10 (2012)
Article DOI: 10.1016/j.ejmech.2012.05.009 BindingDB Entry DOI: 10.7270/Q2930V6G |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50386117
(CHEMBL2042062)Show SMILES COc1cccc2cc(C(=O)NCCCOCCCCOCCCNC(=O)c3cc4cccc(OC)c4oc3=N)c(=N)oc12 Show InChI InChI=1S/C32H38N4O8/c1-39-25-11-5-9-21-19-23(29(33)43-27(21)25)31(37)35-13-7-17-41-15-3-4-16-42-18-8-14-36-32(38)24-20-22-10-6-12-26(40-2)28(22)44-30(24)34/h5-6,9-12,19-20,33-34H,3-4,7-8,13-18H2,1-2H3,(H,35,37)(H,36,38) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 398 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade do Minho
Curated by ChEMBL
| Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in human HeLa cells after 30 mins by beta scintillation counting |
Eur J Med Chem 54: 303-10 (2012)
Article DOI: 10.1016/j.ejmech.2012.05.009 BindingDB Entry DOI: 10.7270/Q2930V6G |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50386112
(CHEMBL2042060)Show SMILES COc1cccc2cc(C(=O)NCCCNC(=O)c3cc4cccc(OC)c4oc3=N)c(=N)oc12 Show InChI InChI=1S/C25H24N4O6/c1-32-18-8-3-6-14-12-16(22(26)34-20(14)18)24(30)28-10-5-11-29-25(31)17-13-15-7-4-9-19(33-2)21(15)35-23(17)27/h3-4,6-9,12-13,26-27H,5,10-11H2,1-2H3,(H,28,30)(H,29,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 398 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade do Minho
Curated by ChEMBL
| Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in human HeLa cells after 30 mins by beta scintillation counting |
Eur J Med Chem 54: 303-10 (2012)
Article DOI: 10.1016/j.ejmech.2012.05.009 BindingDB Entry DOI: 10.7270/Q2930V6G |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50386104
(CHEMBL2042077)Show InChI InChI=1S/C14H16N2O4/c1-18-7-6-16-14(17)10-8-9-4-3-5-11(19-2)12(9)20-13(10)15/h3-5,8,15H,6-7H2,1-2H3,(H,16,17) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 501 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade do Minho
Curated by ChEMBL
| Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in human HeLa cells after 30 mins by beta scintillation counting |
Eur J Med Chem 54: 303-10 (2012)
Article DOI: 10.1016/j.ejmech.2012.05.009 BindingDB Entry DOI: 10.7270/Q2930V6G |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50386111
(CHEMBL2042072)Show InChI InChI=1S/C19H18N2O4/c1-24-16-9-5-8-13-10-14(18(20)25-17(13)16)19(23)21-11-15(22)12-6-3-2-4-7-12/h2-10,15,20,22H,11H2,1H3,(H,21,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 501 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade do Minho
Curated by ChEMBL
| Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in human HeLa cells after 30 mins by beta scintillation counting |
Eur J Med Chem 54: 303-10 (2012)
Article DOI: 10.1016/j.ejmech.2012.05.009 BindingDB Entry DOI: 10.7270/Q2930V6G |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50415879
(CHEMBL1099202)Show SMILES Cc1ccc(cc1)-c1ncc2[nH]c(=O)n(Cc3ccccc3)c2n1 Show InChI InChI=1S/C19H16N4O/c1-13-7-9-15(10-8-13)17-20-11-16-18(22-17)23(19(24)21-16)12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,21,24) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 501 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade do Minho
Curated by ChEMBL
| Assay Description Antagonist activity at human adenosine A3 receptor expressed in forskolin-stimulated CHO cells assessed as inhibition of NSCA-induced decrease in cAM... |
Bioorg Med Chem 18: 3043-52 (2010)
Article DOI: 10.1016/j.bmc.2010.03.048 BindingDB Entry DOI: 10.7270/Q20V8F13 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50386107
(CHEMBL2042081)Show SMILES COc1cccc2cc(C(=O)Nc3c(ncn3-c3ccc(F)cc3)C#N)c(=N)oc12 Show InChI InChI=1S/C21H14FN5O3/c1-29-17-4-2-3-12-9-15(19(24)30-18(12)17)21(28)26-20-16(10-23)25-11-27(20)14-7-5-13(22)6-8-14/h2-9,11,24H,1H3,(H,26,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 631 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade do Minho
Curated by ChEMBL
| Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in human HeLa cells after 30 mins by beta scintillation counting |
Eur J Med Chem 54: 303-10 (2012)
Article DOI: 10.1016/j.ejmech.2012.05.009 BindingDB Entry DOI: 10.7270/Q2930V6G |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50386110
(CHEMBL2042073)Show InChI InChI=1S/C19H18N2O4/c1-24-16-4-2-3-13-11-15(18(20)25-17(13)16)19(23)21-10-9-12-5-7-14(22)8-6-12/h2-8,11,20,22H,9-10H2,1H3,(H,21,23) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 631 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade do Minho
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 30 mins by beta scintillation counting |
Eur J Med Chem 54: 303-10 (2012)
Article DOI: 10.1016/j.ejmech.2012.05.009 BindingDB Entry DOI: 10.7270/Q2930V6G |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50386118
(CHEMBL2042074)Show InChI InChI=1S/C14H16N2O4/c1-19-11-5-2-4-9-8-10(13(15)20-12(9)11)14(18)16-6-3-7-17/h2,4-5,8,15,17H,3,6-7H2,1H3,(H,16,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 631 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade do Minho
Curated by ChEMBL
| Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in human HeLa cells after 30 mins by beta scintillation counting |
Eur J Med Chem 54: 303-10 (2012)
Article DOI: 10.1016/j.ejmech.2012.05.009 BindingDB Entry DOI: 10.7270/Q2930V6G |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50417667
(CHEMBL1643574)Show SMILES Nc1nccc2cc(O[C@H]3CCCN(Cc4ccccc4)C3)ccc12 |r| Show InChI InChI=1S/C21H23N3O/c22-21-20-9-8-18(13-17(20)10-11-23-21)25-19-7-4-12-24(15-19)14-16-5-2-1-3-6-16/h1-3,5-6,8-11,13,19H,4,7,12,14-15H2,(H2,22,23)/t19-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description Displacement of [3H]dofetilide from human ERG |
Bioorg Med Chem Lett 21: 97-101 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.060 BindingDB Entry DOI: 10.7270/Q29W0GQK |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50386111
(CHEMBL2042072)Show InChI InChI=1S/C19H18N2O4/c1-24-16-9-5-8-13-10-14(18(20)25-17(13)16)19(23)21-11-15(22)12-6-3-2-4-7-12/h2-10,15,20,22H,11H2,1H3,(H,21,23) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade do Minho
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 30 mins by beta scintillation counting |
Eur J Med Chem 54: 303-10 (2012)
Article DOI: 10.1016/j.ejmech.2012.05.009 BindingDB Entry DOI: 10.7270/Q2930V6G |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50386108
(CHEMBL2042076)Show InChI InChI=1S/C13H14N2O4/c1-18-10-4-2-3-8-7-9(12(14)19-11(8)10)13(17)15-5-6-16/h2-4,7,14,16H,5-6H2,1H3,(H,15,17) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade do Minho
Curated by ChEMBL
| Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in human HeLa cells after 30 mins by beta scintillation counting |
Eur J Med Chem 54: 303-10 (2012)
Article DOI: 10.1016/j.ejmech.2012.05.009 BindingDB Entry DOI: 10.7270/Q2930V6G |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50386116
(CHEMBL2042080)Show SMILES COc1cccc2cc(C(=O)Nc3c(ncn3-c3ccccc3)C#N)c(=N)oc12 Show InChI InChI=1S/C21H15N5O3/c1-28-17-9-5-6-13-10-15(19(23)29-18(13)17)21(27)25-20-16(11-22)24-12-26(20)14-7-3-2-4-8-14/h2-10,12,23H,1H3,(H,25,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade do Minho
Curated by ChEMBL
| Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in human HeLa cells after 30 mins by beta scintillation counting |
Eur J Med Chem 54: 303-10 (2012)
Article DOI: 10.1016/j.ejmech.2012.05.009 BindingDB Entry DOI: 10.7270/Q2930V6G |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50386109
(CHEMBL2042075)Show InChI InChI=1S/C16H20N2O4/c1-21-13-7-5-6-11-10-12(15(17)22-14(11)13)16(20)18-8-3-2-4-9-19/h5-7,10,17,19H,2-4,8-9H2,1H3,(H,18,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade do Minho
Curated by ChEMBL
| Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in human HeLa cells after 30 mins by beta scintillation counting |
Eur J Med Chem 54: 303-10 (2012)
Article DOI: 10.1016/j.ejmech.2012.05.009 BindingDB Entry DOI: 10.7270/Q2930V6G |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50386106
(CHEMBL2042091)Show InChI InChI=1S/C12H11NO4/c1-16-10-5-3-4-8(11(10)14)6-9(7-13)12(15)17-2/h3-6,14H,1-2H3/b9-6+ | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
| Article PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade do Minho
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 30 mins by beta scintillation counting |
Eur J Med Chem 54: 303-10 (2012)
Article DOI: 10.1016/j.ejmech.2012.05.009 BindingDB Entry DOI: 10.7270/Q2930V6G |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50386109
(CHEMBL2042075)Show InChI InChI=1S/C16H20N2O4/c1-21-13-7-5-6-11-10-12(15(17)22-14(11)13)16(20)18-8-3-2-4-9-19/h5-7,10,17,19H,2-4,8-9H2,1H3,(H,18,20) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.26E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade do Minho
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 30 mins by beta scintillation counting |
Eur J Med Chem 54: 303-10 (2012)
Article DOI: 10.1016/j.ejmech.2012.05.009 BindingDB Entry DOI: 10.7270/Q2930V6G |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50386114
(CHEMBL2042069)Show InChI InChI=1S/C17H22N2O5/c1-4-22-14(23-5-2)10-19-17(20)12-9-11-7-6-8-13(21-3)15(11)24-16(12)18/h6-9,14,18H,4-5,10H2,1-3H3,(H,19,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.58E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade do Minho
Curated by ChEMBL
| Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in human HeLa cells after 30 mins by beta scintillation counting |
Eur J Med Chem 54: 303-10 (2012)
Article DOI: 10.1016/j.ejmech.2012.05.009 BindingDB Entry DOI: 10.7270/Q2930V6G |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50415878
(CHEMBL1095872)Show SMILES NC(=O)c1nc(-c2ccccc2O)n2CN(C(=N)c12)c1ccc(O)cc1 Show InChI InChI=1S/C18H15N5O3/c19-16-15-14(17(20)26)21-18(12-3-1-2-4-13(12)25)23(15)9-22(16)10-5-7-11(24)8-6-10/h1-8,19,24-25H,9H2,(H2,20,26) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 1.58E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade do Minho
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 30 mins by beta scintillation counting |
Bioorg Med Chem 18: 3043-52 (2010)
Article DOI: 10.1016/j.bmc.2010.03.048 BindingDB Entry DOI: 10.7270/Q20V8F13 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50415878
(CHEMBL1095872)Show SMILES NC(=O)c1nc(-c2ccccc2O)n2CN(C(=N)c12)c1ccc(O)cc1 Show InChI InChI=1S/C18H15N5O3/c19-16-15-14(17(20)26)21-18(12-3-1-2-4-13(12)25)23(15)9-22(16)10-5-7-11(24)8-6-10/h1-8,19,24-25H,9H2,(H2,20,26) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade do Minho
Curated by ChEMBL
| Assay Description Antagonist activity at human adenosine A2B receptor expressed in HEK293 cells assessed as inhibition of NSCA-induced cAMP accumulation pre-incubated ... |
Bioorg Med Chem 18: 3043-52 (2010)
Article DOI: 10.1016/j.bmc.2010.03.048 BindingDB Entry DOI: 10.7270/Q20V8F13 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50386113
(CHEMBL2042061)Show SMILES COc1cccc2cc(C(=O)NCCCN3CCN(CCCNC(=O)c4cc5cccc(OC)c5oc4=N)CC3)c(=N)oc12 Show InChI InChI=1S/C32H38N6O6/c1-41-25-9-3-7-21-19-23(29(33)43-27(21)25)31(39)35-11-5-13-37-15-17-38(18-16-37)14-6-12-36-32(40)24-20-22-8-4-10-26(42-2)28(22)44-30(24)34/h3-4,7-10,19-20,33-34H,5-6,11-18H2,1-2H3,(H,35,39)(H,36,40) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.51E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade do Minho
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 60 mins by beta scintillation counting |
Eur J Med Chem 54: 303-10 (2012)
Article DOI: 10.1016/j.ejmech.2012.05.009 BindingDB Entry DOI: 10.7270/Q2930V6G |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50386106
(CHEMBL2042091)Show InChI InChI=1S/C12H11NO4/c1-16-10-5-3-4-8(11(10)14)6-9(7-13)12(15)17-2/h3-6,14H,1-2H3/b9-6+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
| Article PubMed
| 2.51E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade do Minho
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 60 mins by beta scintillation counting |
Eur J Med Chem 54: 303-10 (2012)
Article DOI: 10.1016/j.ejmech.2012.05.009 BindingDB Entry DOI: 10.7270/Q2930V6G |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50415881
(CHEMBL1097859)Show InChI InChI=1S/C21H22N4O/c1-15-9-11-16(12-10-15)20-24-19(17-7-3-2-6-14-25(17)20)21(26)23-18-8-4-5-13-22-18/h4-5,8-13H,2-3,6-7,14H2,1H3,(H,22,23,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 2.51E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade do Minho
Curated by ChEMBL
| Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in human HeLa cells after 30 mins by beta scintillation counting |
Bioorg Med Chem 18: 3043-52 (2010)
Article DOI: 10.1016/j.bmc.2010.03.048 BindingDB Entry DOI: 10.7270/Q20V8F13 |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50415881
(CHEMBL1097859)Show InChI InChI=1S/C21H22N4O/c1-15-9-11-16(12-10-15)20-24-19(17-7-3-2-6-14-25(17)20)21(26)23-18-8-4-5-13-22-18/h4-5,8-13H,2-3,6-7,14H2,1H3,(H,22,23,26) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 3.16E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade do Minho
Curated by ChEMBL
| Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cells after 180 mins by beta scintillation counting |
Bioorg Med Chem 18: 3043-52 (2010)
Article DOI: 10.1016/j.bmc.2010.03.048 BindingDB Entry DOI: 10.7270/Q20V8F13 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50417674
(CHEMBL1643361)Show InChI InChI=1S/C18H19N3/c19-18-17-7-6-15(12-16(17)9-11-21-18)13-20-10-8-14-4-2-1-3-5-14/h1-7,9,11-12,20H,8,10,13H2,(H2,19,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.16E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description Displacement of [3H]dofetilide from human ERG |
Bioorg Med Chem Lett 21: 97-101 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.060 BindingDB Entry DOI: 10.7270/Q29W0GQK |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50386105
(CHEMBL2042058)Show InChI InChI=1S/C16H18N2O3/c1-20-13-8-4-5-10-9-12(15(17)21-14(10)13)16(19)18-11-6-2-3-7-11/h4-5,8-9,11,17H,2-3,6-7H2,1H3,(H,18,19) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.16E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade do Minho
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 60 mins by beta scintillation counting |
Eur J Med Chem 54: 303-10 (2012)
Article DOI: 10.1016/j.ejmech.2012.05.009 BindingDB Entry DOI: 10.7270/Q2930V6G |
More data for this Ligand-Target Pair | |
Nischarin
(Homo sapiens (Human)) | BDBM50399449
(CHEMBL2179395)Show InChI InChI=1S/C10H15ClN2/c1-13(2)10(7-12)8-5-3-4-6-9(8)11/h3-6,10H,7,12H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
| Article PubMed
| 5.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
IMIM-Hospital del Mar Research Institute and University Pompeu Fabra
Curated by ChEMBL
| Assay Description Inhibition of radioligand binding to imidazole receptor 1 |
J Med Chem 55: 9838-46 (2012)
Article DOI: 10.1021/jm301055g BindingDB Entry DOI: 10.7270/Q2VM4DDF |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50386104
(CHEMBL2042077)Show InChI InChI=1S/C14H16N2O4/c1-18-7-6-16-14(17)10-8-9-4-3-5-11(19-2)12(9)20-13(10)15/h3-5,8,15H,6-7H2,1-2H3,(H,16,17) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6.31E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade do Minho
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 60 mins by beta scintillation counting |
Eur J Med Chem 54: 303-10 (2012)
Article DOI: 10.1016/j.ejmech.2012.05.009 BindingDB Entry DOI: 10.7270/Q2930V6G |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50415881
(CHEMBL1097859)Show InChI InChI=1S/C21H22N4O/c1-15-9-11-16(12-10-15)20-24-19(17-7-3-2-6-14-25(17)20)21(26)23-18-8-4-5-13-22-18/h4-5,8-13H,2-3,6-7,14H2,1H3,(H,22,23,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 7.94E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade do Minho
Curated by ChEMBL
| Assay Description Antagonist activity at human adenosine A2A receptor expressed in CHO cells assessed as inhibition of NSCA-induced cAMP accumulation pre-incubated for... |
Bioorg Med Chem 18: 3043-52 (2010)
Article DOI: 10.1016/j.bmc.2010.03.048 BindingDB Entry DOI: 10.7270/Q20V8F13 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM14031
(5-(1,4-diazepane-1-sulfonyl)-1,2-dihydroisoquinoli...)Show InChI InChI=1S/C14H17N3O3S/c18-14-12-3-1-4-13(11(12)5-7-16-14)21(19,20)17-9-2-6-15-8-10-17/h1,3-5,7,15H,2,6,8-10H2,(H,16,18) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 7.94E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description Displacement of [3H]dofetilide from human ERG |
Bioorg Med Chem Lett 21: 97-101 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.060 BindingDB Entry DOI: 10.7270/Q29W0GQK |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50386112
(CHEMBL2042060)Show SMILES COc1cccc2cc(C(=O)NCCCNC(=O)c3cc4cccc(OC)c4oc3=N)c(=N)oc12 Show InChI InChI=1S/C25H24N4O6/c1-32-18-8-3-6-14-12-16(22(26)34-20(14)18)24(30)28-10-5-11-29-25(31)17-13-15-7-4-9-19(33-2)21(15)35-23(17)27/h3-4,6-9,12-13,26-27H,5,10-11H2,1-2H3,(H,28,30)(H,29,31) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade do Minho
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 30 mins by beta scintillation counting |
Eur J Med Chem 54: 303-10 (2012)
Article DOI: 10.1016/j.ejmech.2012.05.009 BindingDB Entry DOI: 10.7270/Q2930V6G |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50386113
(CHEMBL2042061)Show SMILES COc1cccc2cc(C(=O)NCCCN3CCN(CCCNC(=O)c4cc5cccc(OC)c5oc4=N)CC3)c(=N)oc12 Show InChI InChI=1S/C32H38N6O6/c1-41-25-9-3-7-21-19-23(29(33)43-27(21)25)31(39)35-11-5-13-37-15-17-38(18-16-37)14-6-12-36-32(40)24-20-22-8-4-10-26(42-2)28(22)44-30(24)34/h3-4,7-10,19-20,33-34H,5-6,11-18H2,1-2H3,(H,35,39)(H,36,40) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade do Minho
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 30 mins by beta scintillation counting |
Eur J Med Chem 54: 303-10 (2012)
Article DOI: 10.1016/j.ejmech.2012.05.009 BindingDB Entry DOI: 10.7270/Q2930V6G |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50386115
(CHEMBL2042059)Show InChI InChI=1S/C17H20N2O3/c1-21-14-9-5-6-11-10-13(16(18)22-15(11)14)17(20)19-12-7-3-2-4-8-12/h5-6,9-10,12,18H,2-4,7-8H2,1H3,(H,19,20) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade do Minho
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 30 mins by beta scintillation counting |
Eur J Med Chem 54: 303-10 (2012)
Article DOI: 10.1016/j.ejmech.2012.05.009 BindingDB Entry DOI: 10.7270/Q2930V6G |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50417668
(CHEMBL1643368)Show InChI InChI=1S/C14H17N3O/c15-14-13-4-3-11(8-10(13)5-7-17-14)18-12-2-1-6-16-9-12/h3-5,7-8,12,16H,1-2,6,9H2,(H2,15,17)/t12-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description Displacement of [3H]dofetilide from human ERG |
Bioorg Med Chem Lett 21: 97-101 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.060 BindingDB Entry DOI: 10.7270/Q29W0GQK |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM14027
(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)Show InChI InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 2.51E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description Displacement of [3H]dofetilide from human ERG |
Bioorg Med Chem Lett 21: 97-101 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.060 BindingDB Entry DOI: 10.7270/Q29W0GQK |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM14029
((R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXA...)Show SMILES [H][C@@]1(CC[C@@]([H])(CC1)C(=O)Nc1ccncc1)[C@@H](C)N |r,wU:4.4,1.18,17.20,wD:4.8,1.0,(1.92,.41,;1.06,-.86,;-.27,-1.63,;-1.61,-.86,;-1.61,.68,;-1.61,2.22,;-.27,1.45,;1.06,.68,;-2.94,1.45,;-2.94,2.99,;-4.27,.68,;-5.61,1.45,;-5.61,2.99,;-6.94,3.76,;-8.28,2.99,;-8.28,1.45,;-6.94,.68,;2.6,-.86,;3.37,.47,;3.37,-2.2,)| Show InChI InChI=1S/C14H21N3O/c1-10(15)11-2-4-12(5-3-11)14(18)17-13-6-8-16-9-7-13/h6-12H,2-5,15H2,1H3,(H,16,17,18)/t10-,11-,12-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 7.94E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description Displacement of [3H]dofetilide from human ERG |
Bioorg Med Chem Lett 21: 97-101 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.060 BindingDB Entry DOI: 10.7270/Q29W0GQK |
More data for this Ligand-Target Pair | |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50417683
(CHEMBL1643573)Show SMILES Nc1nccc2cc(O[C@@H]3CCCN(Cc4ccccc4)C3)ccc12 |r| Show InChI InChI=1S/C21H23N3O/c22-21-20-9-8-18(13-17(20)10-11-23-21)25-19-7-4-12-24(15-19)14-16-5-2-1-3-6-16/h1-3,5-6,8-11,13,19H,4,7,12,14-15H2,(H2,22,23)/t19-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description Inhibition of ROCK-1 by Immobilized metal ion affinity-based fluorescence polarization assay |
Bioorg Med Chem Lett 21: 97-101 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.060 BindingDB Entry DOI: 10.7270/Q29W0GQK |
More data for this Ligand-Target Pair | |