Found 4048 hits with Last Name = 'chen' and Initial = 'r' 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)) | BDBM50231595
(CHEMBL4092832)Show SMILES CCCn1c(nc2nc([nH]c2c1=O)C1CCCC1)-c1cccc(O)c1 Show InChI InChI=1S/C19H22N4O2/c1-2-10-23-18(13-8-5-9-14(24)11-13)22-17-15(19(23)25)20-16(21-17)12-6-3-4-7-12/h5,8-9,11-12,24H,2-4,6-7,10H2,1H3,(H,20,21) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description Antagonist activity at human adenosine A1 receptor expressed in HEK293 cells assessed as reduction in CPA-mediated inhibition of forskolin-stimulated... |
Bioorg Med Chem 25: 1963-1975 (2017)
Article DOI: 10.1016/j.bmc.2017.02.029 BindingDB Entry DOI: 10.7270/Q2KH0QKC |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50231590
(CHEMBL4063997)Show InChI InChI=1S/C19H23N5O2/c1-3-11-24-18(25)15-17(22-16(21-15)13-7-4-5-8-13)23-19(24)26-14-9-6-10-20-12(14)2/h6,9-10,13H,3-5,7-8,11H2,1-2H3,(H,21,22) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description Antagonist activity at human adenosine A1 receptor expressed in HEK293 cells assessed as reduction in CPA-mediated inhibition of forskolin-stimulated... |
Bioorg Med Chem 25: 1963-1975 (2017)
Article DOI: 10.1016/j.bmc.2017.02.029 BindingDB Entry DOI: 10.7270/Q2KH0QKC |
More data for this Ligand-Target Pair | |
Androgen receptor
(Rattus norvegicus (Rat)) | BDBM50099679
(3-Bromo-2-hydroxy-2-methyl-N-(4-nitro-3-trifluorom...)Show SMILES C[C@@](O)(CBr)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O Show InChI InChI=1S/C11H10BrF3N2O4/c1-10(19,5-12)9(18)16-6-2-3-8(17(20)21)7(4-6)11(13,14)15/h2-4,19H,5H2,1H3,(H,16,18)/t10-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114119 BindingDB Entry DOI: 10.7270/Q2P55SHP |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50152234
(CHEMBL184061 | N*5*-{2-[4-(2,4-Difluoro-phenyl)-pi...)Show SMILES Nc1nc(NCCN2CCN(CC2)c2ccc(F)cc2F)nc2nc(nn12)-c1ccco1 Show InChI InChI=1S/C20H21F2N9O/c21-13-3-4-15(14(22)12-13)30-9-7-29(8-10-30)6-5-24-19-26-18(23)31-20(27-19)25-17(28-31)16-2-1-11-32-16/h1-4,11-12H,5-10H2,(H3,23,24,25,26,27,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 0.330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Heptares Therapeutics Ltd
Curated by ChEMBL
| Assay Description Displacement of [3H]-ZM241385 from wild type human adenosine receptor A2a expressed in HEK293 cell membranes after 240 mins by scintillation counting |
J Med Chem 59: 6470-9 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00653 BindingDB Entry DOI: 10.7270/Q29S1VHS |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50152234
(CHEMBL184061 | N*5*-{2-[4-(2,4-Difluoro-phenyl)-pi...)Show SMILES Nc1nc(NCCN2CCN(CC2)c2ccc(F)cc2F)nc2nc(nn12)-c1ccco1 Show InChI InChI=1S/C20H21F2N9O/c21-13-3-4-15(14(22)12-13)30-9-7-29(8-10-30)6-5-24-19-26-18(23)31-20(27-19)25-17(28-31)16-2-1-11-32-16/h1-4,11-12H,5-10H2,(H3,23,24,25,26,27,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 0.330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Heptares Therapeutics Ltd
Curated by ChEMBL
| Assay Description Displacement of [3H]-ZM241385 from wild type human adenosine receptor A2a expressed in HEK293 cell membranes after 240 mins by scintillation counting |
J Med Chem 59: 6470-9 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00653 BindingDB Entry DOI: 10.7270/Q29S1VHS |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM21190
(4-(2-{[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-...)Show InChI InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Heptares Therapeutics Ltd
Curated by ChEMBL
| Assay Description Displacement of [3H]-ZM241385 from wild type human adenosine receptor A2a expressed in HEK293 cell membranes after 240 mins by scintillation counting |
J Med Chem 59: 6470-9 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00653 BindingDB Entry DOI: 10.7270/Q29S1VHS |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM21190
(4-(2-{[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-...)Show InChI InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Heptares Therapeutics Ltd
Curated by ChEMBL
| Assay Description Displacement of [3H]-ZM241385 from wild type human adenosine receptor A2a expressed in HEK293 cell membranes after 240 mins by scintillation counting |
J Med Chem 59: 6470-9 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00653 BindingDB Entry DOI: 10.7270/Q29S1VHS |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Androgen receptor
(Homo sapiens (Human)) | BDBM50594916
(CHEMBL469759)Show SMILES C[C@@](O)(COc1ccc(cc1)C#N)C(=O)Nc1ccc(C#N)c(I)c1 |r| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.540 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114119 BindingDB Entry DOI: 10.7270/Q2P55SHP |
More data for this Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50594922
(CHEMBL5170697)Show SMILES CCc1c(C)c2c(ccc3[nH]c(=O)cc(Cl)c23)n1CC(F)(F)F | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114119 BindingDB Entry DOI: 10.7270/Q2P55SHP |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50231595
(CHEMBL4092832)Show SMILES CCCn1c(nc2nc([nH]c2c1=O)C1CCCC1)-c1cccc(O)c1 Show InChI InChI=1S/C19H22N4O2/c1-2-10-23-18(13-8-5-9-14(24)11-13)22-17-15(19(23)25)20-16(21-17)12-6-3-4-7-12/h5,8-9,11-12,24H,2-4,6-7,10H2,1H3,(H,20,21) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in HEK293 cell membranes after 90 mins |
Bioorg Med Chem 25: 1963-1975 (2017)
Article DOI: 10.1016/j.bmc.2017.02.029 BindingDB Entry DOI: 10.7270/Q2KH0QKC |
More data for this Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM18524
(6-[bis(2,2,2-trifluoroethyl)amino]-4-(trifluoromet...)Show SMILES FC(F)(F)CN(CC(F)(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F Show InChI InChI=1S/C14H9F9N2O/c15-12(16,17)5-25(6-13(18,19)20)7-1-2-10-8(3-7)9(14(21,22)23)4-11(26)24-10/h1-4H,5-6H2,(H,24,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114119 BindingDB Entry DOI: 10.7270/Q2P55SHP |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50152237
(2-Furan-2-yl-N*5*-[3-(4-phenyl-piperazin-1-yl)-pro...)Show SMILES Nc1nc(NCCCN2CCN(CC2)c2ccccc2)nc2nc(nn12)-c1ccco1 Show InChI InChI=1S/C21H25N9O/c22-19-25-20(26-21-24-18(27-30(19)21)17-8-4-15-31-17)23-9-5-10-28-11-13-29(14-12-28)16-6-2-1-3-7-16/h1-4,6-8,15H,5,9-14H2,(H3,22,23,24,25,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Heptares Therapeutics Ltd
Curated by ChEMBL
| Assay Description Displacement of [3H]-ZM241385 from wild type human adenosine receptor A2a expressed in HEK293 cell membranes after 240 mins by scintillation counting |
J Med Chem 59: 6470-9 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00653 BindingDB Entry DOI: 10.7270/Q29S1VHS |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50152237
(2-Furan-2-yl-N*5*-[3-(4-phenyl-piperazin-1-yl)-pro...)Show SMILES Nc1nc(NCCCN2CCN(CC2)c2ccccc2)nc2nc(nn12)-c1ccco1 Show InChI InChI=1S/C21H25N9O/c22-19-25-20(26-21-24-18(27-30(19)21)17-8-4-15-31-17)23-9-5-10-28-11-13-29(14-12-28)16-6-2-1-3-7-16/h1-4,6-8,15H,5,9-14H2,(H3,22,23,24,25,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Heptares Therapeutics Ltd
Curated by ChEMBL
| Assay Description Displacement of [3H]-ZM241385 from wild type human adenosine receptor A2a expressed in HEK293 cell membranes after 240 mins by scintillation counting |
J Med Chem 59: 6470-9 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00653 BindingDB Entry DOI: 10.7270/Q29S1VHS |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Androgen receptor
(Homo sapiens (Human)) | BDBM50594913
(CHEMBL5184779)Show SMILES Cc1c(Cl)c(ccc1N1C(=O)C2[C@H](O)CCN2C1=O)C#N |r| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
| Article PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114119 BindingDB Entry DOI: 10.7270/Q2P55SHP |
More data for this Ligand-Target Pair | |
Carboxylic ester hydrolase
(Equus caballus (Horse)) | BDBM232997
((S)-(-)-endo-2-norbornyl-N-n-butylcarbamate)Show InChI InChI=1S/C12H21NO2/c1-2-3-6-13-12(14)15-11-8-9-4-5-10(11)7-9/h9-11H,2-8H2,1H3,(H,13,14) | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 2 | -49.7 | n/a | n/a | n/a | n/a | n/a | 7.0 | 25 |
Chung Shan Medical University Hospital
| Assay Description BChE inhibitions by the carbamate inhibitors were assayed by the Ellman method [Ellman et al., Biochem. Pharm., 7:88-95]. BChE-catalyzed hydrolysis o... |
J Enzyme Inhib Med Chem 25: 13-20 (2010)
Article DOI: 10.3109/14756360902888200 BindingDB Entry DOI: 10.7270/Q2C8286J |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50231589
(CHEMBL4073088)Show SMILES CCCn1c(Oc2cncc(Cl)c2)nc2nc([nH]c2c1=O)C1CCCC1 Show InChI InChI=1S/C18H20ClN5O2/c1-2-7-24-17(25)14-16(22-15(21-14)11-5-3-4-6-11)23-18(24)26-13-8-12(19)9-20-10-13/h8-11H,2-7H2,1H3,(H,21,22) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description Antagonist activity at human adenosine A1 receptor expressed in HEK293 cells assessed as reduction in CPA-mediated inhibition of forskolin-stimulated... |
Bioorg Med Chem 25: 1963-1975 (2017)
Article DOI: 10.1016/j.bmc.2017.02.029 BindingDB Entry DOI: 10.7270/Q2KH0QKC |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50005429
(CHEMBL4070288)Show InChI InChI=1S/C40H51N3O5S/c1-6-27(4)25-41-37(45)24-36(44)35(21-26(2)3)42-39(47)40(49(5)48)43-38(46)32(22-30-17-11-15-28-13-7-9-19-33(28)30)23-31-18-12-16-29-14-8-10-20-34(29)31/h7-20,26-27,32,35-36,40,44H,6,21-25H2,1-5H3,(H,41,45)(H,42,47)(H,43,46)/t27-,35+,36+,40?,49?/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Displacement of [3H]naloxone from recombinant human MOR expressed in HEK cell membranes incubated for 60 mins |
Eur J Med Chem 126: 202-217 (2017)
Article DOI: 10.1016/j.ejmech.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB76TS |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50231597
(CHEMBL4102409)Show SMILES CCCn1c(Oc2cccc(OC)c2)nc2nc([nH]c2c1=O)C1CCCC1 Show InChI InChI=1S/C20H24N4O3/c1-3-11-24-19(25)16-18(22-17(21-16)13-7-4-5-8-13)23-20(24)27-15-10-6-9-14(12-15)26-2/h6,9-10,12-13H,3-5,7-8,11H2,1-2H3,(H,21,22) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description Antagonist activity at human adenosine A1 receptor expressed in HEK293 cells assessed as reduction in CPA-mediated inhibition of forskolin-stimulated... |
Bioorg Med Chem 25: 1963-1975 (2017)
Article DOI: 10.1016/j.bmc.2017.02.029 BindingDB Entry DOI: 10.7270/Q2KH0QKC |
More data for this Ligand-Target Pair | |
Carboxylic ester hydrolase
(Equus caballus (Horse)) | BDBM232998
((R)-(+)-endo-2-norbornyl-N-n-butylcarbamate | rac-...)Show InChI InChI=1S/C12H21NO2/c1-2-3-6-13-12(14)15-11-8-9-4-5-10(11)7-9/h9-11H,2-8H2,1H3,(H,13,14) | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 3 | -48.6 | n/a | n/a | n/a | n/a | n/a | 7.0 | 25 |
Chung Shan Medical University Hospital
| Assay Description BChE inhibitions by the carbamate inhibitors were assayed by the Ellman method [Ellman et al., Biochem. Pharm., 7:88-95]. BChE-catalyzed hydrolysis o... |
J Enzyme Inhib Med Chem 25: 13-20 (2010)
Article DOI: 10.3109/14756360902888200 BindingDB Entry DOI: 10.7270/Q2C8286J |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50150077
(2-((1H-imidazol-2-yl)methylthio)-6-amino-4-phenylp...)Show InChI InChI=1S/C17H12N6S/c18-8-12-15(11-4-2-1-3-5-11)13(9-19)17(23-16(12)20)24-10-14-21-6-7-22-14/h1-7H,10H2,(H2,20,23)(H,21,22) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Displacement of [3H]-DPCPX from human A1 receptor expressed in CHO cell membranes measured after 3 hrs by radioligand binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01856 BindingDB Entry DOI: 10.7270/Q2PN99H7 |
More data for this Ligand-Target Pair | |
Leukotriene B4 receptor 2
(Homo sapiens (Human)) | BDBM81801
(CAS_5283121 | LTC4 | NSC_5283121)Show SMILES CCCCCC=CCC=CC=CC=CC(SCC(NC(=O)CCC(N)C(O)=O)C(=O)NCC(O)=O)C(O)CCCC(O)=O |w:5.4,8.7,10.9,12.11| Show InChI InChI=1S/C30H47N3O9S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-25(24(34)15-14-17-27(36)37)43-21-23(29(40)32-20-28(38)39)33-26(35)19-18-22(31)30(41)42/h6-7,9-13,16,22-25,34H,2-5,8,14-15,17-21,31H2,1H3,(H,32,40)(H,33,35)(H,36,37)(H,38,39)(H,41,42) | UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 3.35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Virginia
Curated by PDSP Ki Database
| |
J Biol Chem 275: 30531-6 (2000)
Article DOI: 10.1074/jbc.M003490200 BindingDB Entry DOI: 10.7270/Q2BP01BH |
More data for this Ligand-Target Pair | |
Leukotriene B4 receptor 2
(Homo sapiens (Human)) | BDBM50292408
((R-(R*,S*-(E,E,Z,Z)))-N-(S-(1-(4-Carboxy-1-hydroxy...)Show SMILES CCCCC\C=C/C\C=C/C=C/C=C/[C@@H](SC[C@H](N)C(=O)NCC(O)=O)[C@@H](O)CCCC(O)=O |r| Show InChI InChI=1S/C25H40N2O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22(21(28)15-14-17-23(29)30)34-19-20(26)25(33)27-18-24(31)32/h6-7,9-13,16,20-22,28H,2-5,8,14-15,17-19,26H2,1H3,(H,27,33)(H,29,30)(H,31,32)/b7-6-,10-9-,12-11+,16-13+/t20-,21-,22+/m0/s1 | UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 3.48 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Virginia
Curated by PDSP Ki Database
| |
J Biol Chem 275: 30531-6 (2000)
Article DOI: 10.1074/jbc.M003490200 BindingDB Entry DOI: 10.7270/Q2BP01BH |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50231709
(CHEMBL4083067)Show SMILES CCCn1c(Oc2cccnc2Cl)nc2nc([nH]c2c1=O)C1CCCC1 Show InChI InChI=1S/C18H20ClN5O2/c1-2-10-24-17(25)13-16(22-15(21-13)11-6-3-4-7-11)23-18(24)26-12-8-5-9-20-14(12)19/h5,8-9,11H,2-4,6-7,10H2,1H3,(H,21,22) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in HEK293 cell membranes after 90 mins |
Bioorg Med Chem 25: 1963-1975 (2017)
Article DOI: 10.1016/j.bmc.2017.02.029 BindingDB Entry DOI: 10.7270/Q2KH0QKC |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50532555
(CHEMBL3937413)Show SMILES Nc1nc(NCCN2CCC(CC2)c2ccccc2)nc2nc(nn12)-c1ccco1 Show InChI InChI=1S/C21H24N8O/c22-19-25-20(26-21-24-18(27-29(19)21)17-7-4-14-30-17)23-10-13-28-11-8-16(9-12-28)15-5-2-1-3-6-15/h1-7,14,16H,8-13H2,(H3,22,23,24,25,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Heptares Therapeutics Ltd
Curated by ChEMBL
| Assay Description Displacement of [3H]-ZM241385 from wild type human adenosine receptor A2a expressed in HEK293 cell membranes after 240 mins by scintillation counting |
J Med Chem 59: 6470-9 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00653 BindingDB Entry DOI: 10.7270/Q29S1VHS |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50532555
(CHEMBL3937413)Show SMILES Nc1nc(NCCN2CCC(CC2)c2ccccc2)nc2nc(nn12)-c1ccco1 Show InChI InChI=1S/C21H24N8O/c22-19-25-20(26-21-24-18(27-29(19)21)17-7-4-14-30-17)23-10-13-28-11-8-16(9-12-28)15-5-2-1-3-6-15/h1-7,14,16H,8-13H2,(H3,22,23,24,25,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Heptares Therapeutics Ltd
Curated by ChEMBL
| Assay Description Displacement of [3H]-ZM241385 from wild type human adenosine receptor A2a expressed in HEK293 cell membranes after 240 mins by scintillation counting |
J Med Chem 59: 6470-9 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00653 BindingDB Entry DOI: 10.7270/Q29S1VHS |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Androgen receptor
(Homo sapiens (Human)) | BDBM50594917
(CHEMBL511130)Show SMILES CC(=O)Nc1ccc(OC[C@@](C)(O)C(=O)Nc2ccc(c(c2)C(F)(F)F)[N+]([O-])=O)cc1 |r| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114119 BindingDB Entry DOI: 10.7270/Q2P55SHP |
More data for this Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50594918
(CHEMBL4754501)Show SMILES C[C@@](O)(COc1ccc(cc1)C#N)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114119 BindingDB Entry DOI: 10.7270/Q2P55SHP |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50007985
(CHEMBL4097865)Show InChI InChI=1S/C42H51ClN8O8S/c1-42(2,3)59-41(58)51-33(22-26-24-46-30-14-8-7-13-29(26)30)38(56)48-31(15-9-10-20-45-40(60)47-28-18-16-27(43)17-19-28)37(55)50-34(23-35(52)53)39(57)49-32(36(44)54)21-25-11-5-4-6-12-25/h4-8,11-14,16-19,24,31-34,46H,9-10,15,20-23H2,1-3H3,(H2,44,54)(H,48,56)(H,49,57)(H,50,55)(H,51,58)(H,52,53)(H2,45,47,60)/t31-,32?,33?,34?/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Agonist activity at human MOR expressed in HEK293 cells assessed as inhibition of forskolin-induced adenylyl cyclase-mediated cAMP accumulation after... |
Eur J Med Chem 126: 202-217 (2017)
Article DOI: 10.1016/j.ejmech.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB76TS |
More data for this Ligand-Target Pair | |
Carboxylic ester hydrolase
(Equus caballus (Horse)) | BDBM232998
((R)-(+)-endo-2-norbornyl-N-n-butylcarbamate | rac-...)Show InChI InChI=1S/C12H21NO2/c1-2-3-6-13-12(14)15-11-8-9-4-5-10(11)7-9/h9-11H,2-8H2,1H3,(H,13,14) | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 5 | -47.4 | n/a | n/a | n/a | n/a | n/a | 7.0 | 25 |
Chung Shan Medical University Hospital
| Assay Description BChE inhibitions by the carbamate inhibitors were assayed by the Ellman method [Ellman et al., Biochem. Pharm., 7:88-95]. BChE-catalyzed hydrolysis o... |
J Enzyme Inhib Med Chem 25: 13-20 (2010)
Article DOI: 10.3109/14756360902888200 BindingDB Entry DOI: 10.7270/Q2C8286J |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50564520
(CHEMBL4796569)Show SMILES Clc1ccccc1NC(=O)Nc1ccc(cc1)-c1c(sc(N2CCOCC2)c1C#N)-c1nc[nH]n1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 5.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of His-tagged human full length PI3Kalpha coexpressed with p85 alpha in baculovirus expression system using PIP2 peptide as substrate incu... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112309 BindingDB Entry DOI: 10.7270/Q2FB56PF |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50042064
(CHEMBL4097466)Show InChI InChI=1S/C24H24N2O2/c1-26-17-11-12-18(26)14-19(13-17)28-24(27)21-15-23(16-7-3-2-4-8-16)25-22-10-6-5-9-20(21)22/h2-10,15,17-19H,11-14H2,1H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Displacement of [3H]naloxone from recombinant human MOR expressed in HEK cell membranes incubated for 60 mins |
Eur J Med Chem 126: 202-217 (2017)
Article DOI: 10.1016/j.ejmech.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB76TS |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50231707
(CHEMBL4085564)Show SMILES CCCn1c(Oc2cccc3cc[nH]c23)nc2nc([nH]c2c1=O)C1CCCC1 Show InChI InChI=1S/C21H23N5O2/c1-2-12-26-20(27)17-19(24-18(23-17)14-6-3-4-7-14)25-21(26)28-15-9-5-8-13-10-11-22-16(13)15/h5,8-11,14,22H,2-4,6-7,12H2,1H3,(H,23,24) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in HEK293 cell membranes after 90 mins |
Bioorg Med Chem 25: 1963-1975 (2017)
Article DOI: 10.1016/j.bmc.2017.02.029 BindingDB Entry DOI: 10.7270/Q2KH0QKC |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50231707
(CHEMBL4085564)Show SMILES CCCn1c(Oc2cccc3cc[nH]c23)nc2nc([nH]c2c1=O)C1CCCC1 Show InChI InChI=1S/C21H23N5O2/c1-2-12-26-20(27)17-19(24-18(23-17)14-6-3-4-7-14)25-21(26)28-15-9-5-8-13-10-11-22-16(13)15/h5,8-11,14,22H,2-4,6-7,12H2,1H3,(H,23,24) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description Antagonist activity at human adenosine A1 receptor expressed in HEK293 cells assessed as reduction in CPA-mediated inhibition of forskolin-stimulated... |
Bioorg Med Chem 25: 1963-1975 (2017)
Article DOI: 10.1016/j.bmc.2017.02.029 BindingDB Entry DOI: 10.7270/Q2KH0QKC |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50231588
(CHEMBL4084453)Show SMILES CCCn1c(Oc2cccc(c2)C(F)(F)F)nc2nc([nH]c2c1=O)C1CCCC1 Show InChI InChI=1S/C20H21F3N4O2/c1-2-10-27-18(28)15-17(25-16(24-15)12-6-3-4-7-12)26-19(27)29-14-9-5-8-13(11-14)20(21,22)23/h5,8-9,11-12H,2-4,6-7,10H2,1H3,(H,24,25) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description Antagonist activity at human adenosine A1 receptor expressed in HEK293 cells assessed as reduction in CPA-mediated inhibition of forskolin-stimulated... |
Bioorg Med Chem 25: 1963-1975 (2017)
Article DOI: 10.1016/j.bmc.2017.02.029 BindingDB Entry DOI: 10.7270/Q2KH0QKC |
More data for this Ligand-Target Pair | |
Neuropeptides B/W receptor type 1
(Homo sapiens (Human)) | BDBM50013388
(6-Ethyl-3-(1-hydroxy-cyclopropylmethyl)-11,11-dime...)Show SMILES CCC12CCN(CC3(O)CC3)C(Cc3ccc(O)cc13)C2(C)C |TLB:6:5:20:19.13.12| Show InChI InChI=1S/C20H29NO2/c1-4-20-9-10-21(13-19(23)7-8-19)17(18(20,2)3)11-14-5-6-15(22)12-16(14)20/h5-6,12,17,22-23H,4,7-11,13H2,1-3H3 | Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Addiction Research Foundation
Curated by PDSP Ki Database
| |
Genomics 28: 84-91 (1995)
Article DOI: 10.1006/geno.1995.1109 BindingDB Entry DOI: 10.7270/Q2ZG6QRZ |
More data for this Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM18664
((2R)-3-(4-fluorophenoxy)-2-hydroxy-2-methyl-N-[4-n...)Show SMILES C[C@@](O)(COc1ccc(F)cc1)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O |r| Show InChI InChI=1S/C17H14F4N2O5/c1-16(25,9-28-12-5-2-10(18)3-6-12)15(24)22-11-4-7-14(23(26)27)13(8-11)17(19,20)21/h2-8,25H,9H2,1H3,(H,22,24)/t16-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114119 BindingDB Entry DOI: 10.7270/Q2P55SHP |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50015426
(CHEMBL4070750)Show InChI InChI=1S/C14H13N3O4S/c1-8-11(13(18)21-2)12(16-14(15-8)22-3)9-5-4-6-10(7-9)17(19)20/h4-7H,1-3H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Displacement of [3H]naloxone from recombinant human MOR expressed in HEK cell membranes incubated for 60 mins |
Eur J Med Chem 126: 202-217 (2017)
Article DOI: 10.1016/j.ejmech.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB76TS |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50231590
(CHEMBL4063997)Show InChI InChI=1S/C19H23N5O2/c1-3-11-24-18(25)15-17(22-16(21-15)13-7-4-5-8-13)23-19(24)26-14-9-6-10-20-12(14)2/h6,9-10,13H,3-5,7-8,11H2,1-2H3,(H,21,22) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in HEK293 cell membranes after 90 mins |
Bioorg Med Chem 25: 1963-1975 (2017)
Article DOI: 10.1016/j.bmc.2017.02.029 BindingDB Entry DOI: 10.7270/Q2KH0QKC |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50009239
(CHEMBL4092125)Show InChI InChI=1S/C42H68N8O11/c1-9-25(6)36(41(59)48-35(24(4)5)42(60)61-8)49-40(58)32-16-13-17-50(32)21-33(53)28(19-27-14-11-10-12-15-27)45-38(56)30(20-34(43)54)47-37(55)29(18-23(2)3)46-39(57)31(22-51)44-26(7)52/h10-12,14-15,23-25,28-33,35-36,51,53H,9,13,16-22H2,1-8H3,(H2,43,54)(H,44,52)(H,45,56)(H,46,57)(H,47,55)(H,48,59)(H,49,58)/t25-,28+,29-,30?,31-,32?,33+,35-,36-/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| 6.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Displacement of [3H]naloxone from recombinant human MOR expressed in HEK cell membranes incubated for 60 mins |
Eur J Med Chem 126: 202-217 (2017)
Article DOI: 10.1016/j.ejmech.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB76TS |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50150077
(2-((1H-imidazol-2-yl)methylthio)-6-amino-4-phenylp...)Show InChI InChI=1S/C17H12N6S/c18-8-12-15(11-4-2-1-3-5-11)13(9-19)17(23-16(12)20)24-10-14-21-6-7-22-14/h1-7H,10H2,(H2,20,23)(H,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 7.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Displacement of [3H]ZM241385 from human A2A receptor expressed in HEK293 cell membranes measured after 3 hrs by radioligand binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01856 BindingDB Entry DOI: 10.7270/Q2PN99H7 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50494112
(CHEMBL2441475)Show SMILES CCCCCn1c2ccc(cc2c2ccc(OC)cc12)C(=O)N1CCCCC1 Show InChI InChI=1S/C24H30N2O2/c1-3-4-6-15-26-22-12-9-18(24(27)25-13-7-5-8-14-25)16-21(22)20-11-10-19(28-2)17-23(20)26/h9-12,16-17H,3-8,13-15H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 7.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Montana
Curated by ChEMBL
| Assay Description Displacement of [3H]-CP55940 from human CB2 receptor expressed in HEK293 cells after 1.5 hrs by microbeta liquid scintillation counting analysis |
Eur J Med Chem 69: 881-907 (2013)
Article DOI: 10.1016/j.ejmech.2013.09.038 BindingDB Entry DOI: 10.7270/Q20P12Z8 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50231593
(CHEMBL4068469)Show SMILES CCCn1c(OC2CCC(O)C2)nc2nc([nH]c2c1=O)C1CCCC1 Show InChI InChI=1S/C18H26N4O3/c1-2-9-22-17(24)14-16(20-15(19-14)11-5-3-4-6-11)21-18(22)25-13-8-7-12(23)10-13/h11-13,23H,2-10H2,1H3,(H,19,20) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 9.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description Antagonist activity at human adenosine A1 receptor expressed in HEK293 cells assessed as reduction in CPA-mediated inhibition of forskolin-stimulated... |
Bioorg Med Chem 25: 1963-1975 (2017)
Article DOI: 10.1016/j.bmc.2017.02.029 BindingDB Entry DOI: 10.7270/Q2KH0QKC |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50582415
(CHEMBL5093654) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Displacement of [3H]ZM241385 from human A2A receptor expressed in HEK293 cell membranes measured after 3 hrs by radioligand binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01856 BindingDB Entry DOI: 10.7270/Q2PN99H7 |
More data for this Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(RAT) | BDBM50013515
((+)-yohimbine | (16alpha,17alpha)-17-hydroxyyohimb...)Show SMILES COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r| Show InChI InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem
Patents
Similars
| PubMed
| 10.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Otsuka Maryland Research Institute
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 299: 652-8 (2001)
BindingDB Entry DOI: 10.7270/Q2TB15FS |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50231710
(CHEMBL4101044)Show SMILES CCCn1c(Oc2cccc(O)c2)nc2nc([nH]c2c1=O)C1CCCC1 Show InChI InChI=1S/C19H22N4O3/c1-2-10-23-18(25)15-17(21-16(20-15)12-6-3-4-7-12)22-19(23)26-14-9-5-8-13(24)11-14/h5,8-9,11-12,24H,2-4,6-7,10H2,1H3,(H,20,21) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in HEK293 cell membranes after 90 mins |
Bioorg Med Chem 25: 1963-1975 (2017)
Article DOI: 10.1016/j.bmc.2017.02.029 BindingDB Entry DOI: 10.7270/Q2KH0QKC |
More data for this Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM18525
(Bicalutamide | CHEMBL409 | N-[4-cyano-3-(trifluoro...)Show SMILES CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114119 BindingDB Entry DOI: 10.7270/Q2P55SHP |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Carboxylic ester hydrolase
(Equus caballus (Horse)) | BDBM232995
((R)-(+)-exo-2-norbonyl-N-n-butylcarbamate)Show InChI InChI=1S/C12H21NO2/c1-2-3-6-13-12(14)15-11-8-9-4-5-10(11)7-9/h9-11H,2-8H2,1H3,(H,13,14) | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 11 | -45.4 | n/a | n/a | n/a | n/a | n/a | 7.0 | 25 |
Chung Shan Medical University Hospital
| Assay Description BChE inhibitions by the carbamate inhibitors were assayed by the Ellman method [Ellman et al., Biochem. Pharm., 7:88-95]. BChE-catalyzed hydrolysis o... |
J Enzyme Inhib Med Chem 25: 13-20 (2010)
Article DOI: 10.3109/14756360902888200 BindingDB Entry DOI: 10.7270/Q2C8286J |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50231715
(CHEMBL4088084)Show SMILES CCCn1c(nc2nc([nH]c2c1=O)C1CCCC1)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C20H21F3N4O/c1-2-10-27-18(13-8-5-9-14(11-13)20(21,22)23)26-17-15(19(27)28)24-16(25-17)12-6-3-4-7-12/h5,8-9,11-12H,2-4,6-7,10H2,1H3,(H,24,25) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description Antagonist activity at human adenosine A1 receptor expressed in HEK293 cells assessed as reduction in CPA-mediated inhibition of forskolin-stimulated... |
Bioorg Med Chem 25: 1963-1975 (2017)
Article DOI: 10.1016/j.bmc.2017.02.029 BindingDB Entry DOI: 10.7270/Q2KH0QKC |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50231592
(CHEMBL4078636)Show InChI InChI=1S/C18H26N4O3/c1-2-9-22-17(23)14-16(20-15(19-14)12-5-3-4-6-12)21-18(22)25-13-7-10-24-11-8-13/h12-13H,2-11H2,1H3,(H,19,20) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description Antagonist activity at human adenosine A1 receptor expressed in HEK293 cells assessed as reduction in CPA-mediated inhibition of forskolin-stimulated... |
Bioorg Med Chem 25: 1963-1975 (2017)
Article DOI: 10.1016/j.bmc.2017.02.029 BindingDB Entry DOI: 10.7270/Q2KH0QKC |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50231589
(CHEMBL4073088)Show SMILES CCCn1c(Oc2cncc(Cl)c2)nc2nc([nH]c2c1=O)C1CCCC1 Show InChI InChI=1S/C18H20ClN5O2/c1-2-7-24-17(25)14-16(22-15(21-14)11-5-3-4-6-11)23-18(24)26-13-8-12(19)9-20-10-13/h8-11H,2-7H2,1H3,(H,21,22) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in HEK293 cell membranes after 90 mins |
Bioorg Med Chem 25: 1963-1975 (2017)
Article DOI: 10.1016/j.bmc.2017.02.029 BindingDB Entry DOI: 10.7270/Q2KH0QKC |
More data for this Ligand-Target Pair | |