Found 10 hits for monomerid = 50318493 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Calcium channel
(RAT) | BDBM50318493
(3-isopropyl 5-(2-methoxyethyl) 2,6-dimethyl-4-(3-n...)Show SMILES COCCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC(C)C |c:7,t:10| Show InChI InChI=1S/C21H26N2O7/c1-12(2)30-21(25)18-14(4)22-13(3)17(20(24)29-10-9-28-5)19(18)15-7-6-8-16(11-15)23(26)27/h6-8,11-12,18-19H,9-10H2,1-5H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.560 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by PDSP Ki Database
| |
Life Sci 30: 2191-202 (1982)
Article DOI: 10.1016/0024-3205(82)90293-4 BindingDB Entry DOI: 10.7270/Q25719JV |
More data for this Ligand-Target Pair | |
Calcium channel
(RAT) | BDBM50318493
(3-isopropyl 5-(2-methoxyethyl) 2,6-dimethyl-4-(3-n...)Show SMILES COCCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC(C)C |c:7,t:10| Show InChI InChI=1S/C21H26N2O7/c1-12(2)30-21(25)18-14(4)22-13(3)17(20(24)29-10-9-28-5)19(18)15-7-6-8-16(11-15)23(26)27/h6-8,11-12,18-19H,9-10H2,1-5H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.790 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by PDSP Ki Database
| |
Life Sci 30: 2191-202 (1982)
Article DOI: 10.1016/0024-3205(82)90293-4 BindingDB Entry DOI: 10.7270/Q25719JV |
More data for this Ligand-Target Pair | |
Calcium channel
(RAT) | BDBM50318493
(3-isopropyl 5-(2-methoxyethyl) 2,6-dimethyl-4-(3-n...)Show SMILES COCCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC(C)C |c:7,t:10| Show InChI InChI=1S/C21H26N2O7/c1-12(2)30-21(25)18-14(4)22-13(3)17(20(24)29-10-9-28-5)19(18)15-7-6-8-16(11-15)23(26)27/h6-8,11-12,18-19H,9-10H2,1-5H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 2.28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johns Hopkins University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 237: 731-8 (1986)
BindingDB Entry DOI: 10.7270/Q2GT5KP4 |
More data for this Ligand-Target Pair | |
Calcium channel
(RAT) | BDBM50318493
(3-isopropyl 5-(2-methoxyethyl) 2,6-dimethyl-4-(3-n...)Show SMILES COCCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC(C)C |c:7,t:10| Show InChI InChI=1S/C21H26N2O7/c1-12(2)30-21(25)18-14(4)22-13(3)17(20(24)29-10-9-28-5)19(18)15-7-6-8-16(11-15)23(26)27/h6-8,11-12,18-19H,9-10H2,1-5H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 259 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johns Hopkins University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 237: 731-8 (1986)
BindingDB Entry DOI: 10.7270/Q2GT5KP4 |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50318493
(3-isopropyl 5-(2-methoxyethyl) 2,6-dimethyl-4-(3-n...)Show SMILES COCCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC(C)C |c:7,t:10| Show InChI InChI=1S/C21H26N2O7/c1-12(2)30-21(25)18-14(4)22-13(3)17(20(24)29-10-9-28-5)19(18)15-7-6-8-16(11-15)23(26)27/h6-8,11-12,18-19H,9-10H2,1-5H3 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 8.47E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes
Curated by ChEMBL
| Assay Description Displacement of [125]AB-MECA binding to human Adenosine A3 receptor expressed in HEK cells |
J Med Chem 39: 2980-9 (1996)
Article DOI: 10.1021/jm9600205 BindingDB Entry DOI: 10.7270/Q2833SQ6 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50318493
(3-isopropyl 5-(2-methoxyethyl) 2,6-dimethyl-4-(3-n...)Show SMILES COCCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC(C)C |c:7,t:10| Show InChI InChI=1S/C21H26N2O7/c1-12(2)30-21(25)18-14(4)22-13(3)17(20(24)29-10-9-28-5)19(18)15-7-6-8-16(11-15)23(26)27/h6-8,11-12,18-19H,9-10H2,1-5H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 2.01E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes
Curated by ChEMBL
| Assay Description Displacement of [3H](R)-PIA binding to Adenosine A1 receptor in rat brain membranes |
J Med Chem 39: 2980-9 (1996)
Article DOI: 10.1021/jm9600205 BindingDB Entry DOI: 10.7270/Q2833SQ6 |
More data for this Ligand-Target Pair | |
Adenosine Receptors A2a (A2a)
(Rattus norvegicus (rat)) | BDBM50318493
(3-isopropyl 5-(2-methoxyethyl) 2,6-dimethyl-4-(3-n...)Show SMILES COCCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC(C)C |c:7,t:10| Show InChI InChI=1S/C21H26N2O7/c1-12(2)30-21(25)18-14(4)22-13(3)17(20(24)29-10-9-28-5)19(18)15-7-6-8-16(11-15)23(26)27/h6-8,11-12,18-19H,9-10H2,1-5H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 4.43E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes
Curated by ChEMBL
| Assay Description Displacement of [3H]-CGS- 21680 binding to Adenosine A2A receptor in rat striatal membranes |
J Med Chem 39: 2980-9 (1996)
Article DOI: 10.1021/jm9600205 BindingDB Entry DOI: 10.7270/Q2833SQ6 |
More data for this Ligand-Target Pair | |
Pregnane X receptor
(Homo sapiens (Human)) | BDBM50318493
(3-isopropyl 5-(2-methoxyethyl) 2,6-dimethyl-4-(3-n...)Show SMILES COCCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC(C)C |c:7,t:10| Show InChI InChI=1S/C21H26N2O7/c1-12(2)30-21(25)18-14(4)22-13(3)17(20(24)29-10-9-28-5)19(18)15-7-6-8-16(11-15)23(26)27/h6-8,11-12,18-19H,9-10H2,1-5H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 390 | n/a | n/a | n/a | n/a |
City of Hope National Medical Center
Curated by ChEMBL
| Assay Description Agonist activity at PXR (unknown origin) expressed in human HepG2 cells assessed as induction of CYP3A4 transactivation after 16 hrs by luciferase re... |
Bioorg Med Chem 21: 4266-78 (2013)
Article DOI: 10.1016/j.bmc.2013.04.069 BindingDB Entry DOI: 10.7270/Q2J67J9Z |
More data for this Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50318493
(3-isopropyl 5-(2-methoxyethyl) 2,6-dimethyl-4-(3-n...)Show SMILES COCCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC(C)C |c:7,t:10| Show InChI InChI=1S/C21H26N2O7/c1-12(2)30-21(25)18-14(4)22-13(3)17(20(24)29-10-9-28-5)19(18)15-7-6-8-16(11-15)23(26)27/h6-8,11-12,18-19H,9-10H2,1-5H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 8.96E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
City of Hope National Medical Center
Curated by ChEMBL
| Assay Description Antagonist activity at human GTS-tagged FXR after 20 mins by TR-FRET assay |
Bioorg Med Chem 21: 4266-78 (2013)
Article DOI: 10.1016/j.bmc.2013.04.069 BindingDB Entry DOI: 10.7270/Q2J67J9Z |
More data for this Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Mus musculus) | BDBM50318493
(3-isopropyl 5-(2-methoxyethyl) 2,6-dimethyl-4-(3-n...)Show SMILES COCCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC(C)C |c:7,t:10| Show InChI InChI=1S/C21H26N2O7/c1-12(2)30-21(25)18-14(4)22-13(3)17(20(24)29-10-9-28-5)19(18)15-7-6-8-16(11-15)23(26)27/h6-8,11-12,18-19H,9-10H2,1-5H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 800 | n/a | n/a | n/a | n/a |
Ferrara University
Curated by ChEMBL
| Assay Description Agonist activity at mouse TRPA1 channel expressed in CHO cells assessed as increase in intracellular calcium influx |
J Med Chem 53: 5085-107 (2010)
Article DOI: 10.1021/jm100062h BindingDB Entry DOI: 10.7270/Q2416Z02 |
More data for this Ligand-Target Pair | |