Found 4 hits for monomerid = 50399418 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 |
Neuronal acetylcholine receptor Alpha-4/Beta-2
(Homo sapiens (Human)) | BDBM50399418
(CHEMBL2178869)Show SMILES O=C(Nc1ccccc1)OCCc1cc(on1)-c1cncc(OC[C@@H]2CCN2)c1 |r| Show InChI InChI=1S/C21H22N4O4/c26-21(24-16-4-2-1-3-5-16)27-9-7-17-11-20(29-25-17)15-10-19(13-22-12-15)28-14-18-6-8-23-18/h1-5,10-13,18,23H,6-9,14H2,(H,24,26)/t18-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 117 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Antagonist activity at human alpha4beta2 nAChR expressed in human SH-EP1 cells assessed as inhibition of 86Rb+ efflux preincubated for 10 mins by liq... |
J Med Chem 55: 9998-10009 (2012)
Article DOI: 10.1021/jm301177j BindingDB Entry DOI: 10.7270/Q2CJ8FM1 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor Alpha-4/Beta-2
(Homo sapiens (Human)) | BDBM50399418
(CHEMBL2178869)Show SMILES O=C(Nc1ccccc1)OCCc1cc(on1)-c1cncc(OC[C@@H]2CCN2)c1 |r| Show InChI InChI=1S/C21H22N4O4/c26-21(24-16-4-2-1-3-5-16)27-9-7-17-11-20(29-25-17)15-10-19(13-22-12-15)28-14-18-6-8-23-18/h1-5,10-13,18,23H,6-9,14H2,(H,24,26)/t18-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 35 | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Agonist activity at human alpha4beta2 nAChR expressed in human SH-EP1 cells assessed as stimulation of 86Rb+ efflux preincubated for 10 mins by liqui... |
J Med Chem 55: 9998-10009 (2012)
Article DOI: 10.1021/jm301177j BindingDB Entry DOI: 10.7270/Q2CJ8FM1 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor Alpha-4/Beta-2
(Homo sapiens (Human)) | BDBM50399418
(CHEMBL2178869)Show SMILES O=C(Nc1ccccc1)OCCc1cc(on1)-c1cncc(OC[C@@H]2CCN2)c1 |r| Show InChI InChI=1S/C21H22N4O4/c26-21(24-16-4-2-1-3-5-16)27-9-7-17-11-20(29-25-17)15-10-19(13-22-12-15)28-14-18-6-8-23-18/h1-5,10-13,18,23H,6-9,14H2,(H,24,26)/t18-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 35.5 | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Agonist activity at human alpha4beta2 nAChR expressed in human SH-EP1 cells assessed as stimulation of 86Rb+ efflux preincubated for 10 mins by liqui... |
J Med Chem 55: 9998-10009 (2012)
Article DOI: 10.1021/jm301177j BindingDB Entry DOI: 10.7270/Q2CJ8FM1 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor Alpha-4/Beta-2
(Homo sapiens (Human)) | BDBM50399418
(CHEMBL2178869)Show SMILES O=C(Nc1ccccc1)OCCc1cc(on1)-c1cncc(OC[C@@H]2CCN2)c1 |r| Show InChI InChI=1S/C21H22N4O4/c26-21(24-16-4-2-1-3-5-16)27-9-7-17-11-20(29-25-17)15-10-19(13-22-12-15)28-14-18-6-8-23-18/h1-5,10-13,18,23H,6-9,14H2,(H,24,26)/t18-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 117 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Antagonist activity at human alpha4beta2 nAChR expressed in human SH-EP1 cells assessed as inhibition of 86Rb+ efflux preincubated for 10 mins by liq... |
J Med Chem 55: 9998-10009 (2012)
Article DOI: 10.1021/jm301177j BindingDB Entry DOI: 10.7270/Q2CJ8FM1 |
More data for this Ligand-Target Pair | |