Found 620 hits with Last Name = 'pallavicini' and Initial = 'm' 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 |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50097618
(3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-5-phenyl-p...)Show InChI InChI=1S/C17H20N2O/c1-19-9-5-8-16(19)13-20-17-10-15(11-18-12-17)14-6-3-2-4-7-14/h2-4,6-7,10-12,16H,5,8-9,13H2,1H3/t16-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Milano
Curated by ChEMBL
| Assay Description Displacement of [3H]-cytisine from alpha4beta2-nACHR in rat whole brain |
Bioorg Med Chem Lett 26: 5613-5617 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.078 BindingDB Entry DOI: 10.7270/Q2RJ4MFR |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50049756
(3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-pyridine |...)Show InChI InChI=1S/C11H16N2O/c1-13-7-3-4-10(13)9-14-11-5-2-6-12-8-11/h2,5-6,8,10H,3-4,7,9H2,1H3/t10-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Milano
Curated by ChEMBL
| Assay Description Displacement of [3H]-cytisine from alpha4beta2-nACHR in rat whole brain |
Bioorg Med Chem Lett 26: 5613-5617 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.078 BindingDB Entry DOI: 10.7270/Q2RJ4MFR |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50069827
(3-Bromo-5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-py...)Show InChI InChI=1S/C11H15BrN2O/c1-14-4-2-3-10(14)8-15-11-5-9(12)6-13-7-11/h5-7,10H,2-4,8H2,1H3/t10-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.270 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Milano
Curated by ChEMBL
| Assay Description Displacement of [3H]-cytisine from alpha4beta2-nACHR in rat whole brain |
Bioorg Med Chem Lett 26: 5613-5617 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.078 BindingDB Entry DOI: 10.7270/Q2RJ4MFR |
More data for this Ligand-Target Pair | |
Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50392641
(CHEMBL2153553)Show SMILES COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(OC)c2O1 |r| Show InChI InChI=1S/C20H25NO6/c1-22-15-6-4-7-16(23-2)19(15)25-11-10-21-12-14-13-26-18-9-5-8-17(24-3)20(18)27-14/h4-9,14,21H,10-13H2,1-3H3/t14-/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.372 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description Displacement of [3H]prazosin from human cloned alpha1D adrenoceptor expressed in CHO cell membranes after 30 mins by liquid scintillation counter |
Eur J Med Chem 58: 184-91 (2012)
Article DOI: 10.1016/j.ejmech.2012.09.049 BindingDB Entry DOI: 10.7270/Q2WQ04W7 |
More data for this Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM50392637
(CHEMBL215421)Show InChI InChI=1S/C19H23NO5/c1-21-17-8-5-9-18(22-2)19(17)23-11-10-20-12-14-13-24-15-6-3-4-7-16(15)25-14/h3-9,14,20H,10-13H2,1-2H3/t14-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| 0.407 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description Displacement of [3H]prazosin from human cloned alpha1A adrenoceptor expressed in CHO cell membranes after 30 mins by liquid scintillation counter |
Eur J Med Chem 58: 184-91 (2012)
Article DOI: 10.1016/j.ejmech.2012.09.049 BindingDB Entry DOI: 10.7270/Q2WQ04W7 |
More data for this Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM50392637
(CHEMBL215421)Show InChI InChI=1S/C19H23NO5/c1-21-17-8-5-9-18(22-2)19(17)23-11-10-20-12-14-13-24-15-6-3-4-7-16(15)25-14/h3-9,14,20H,10-13H2,1-2H3/t14-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| 0.407 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Milano
Curated by ChEMBL
| Assay Description Displacement of [3H]prazosin from human alpha-1A adrenoreceptor expressed in CHO cells after 30 mins |
J Med Chem 56: 6402-12 (2013)
Article DOI: 10.1021/jm400867d BindingDB Entry DOI: 10.7270/Q2NV9N63 |
More data for this Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM50392637
(CHEMBL215421)Show InChI InChI=1S/C19H23NO5/c1-21-17-8-5-9-18(22-2)19(17)23-11-10-20-12-14-13-24-15-6-3-4-7-16(15)25-14/h3-9,14,20H,10-13H2,1-2H3/t14-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| 0.410 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Milano
Curated by ChEMBL
| Assay Description Displacement of [3H]prazosin from cloned human adrenergic alpha 1A receptor expressed in CHO cells |
J Med Chem 49: 7140-9 (2006)
Checked by Author Article DOI: 10.1021/jm060358r BindingDB Entry DOI: 10.7270/Q25Q4XBK |
More data for this Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM50493054
(CHEMBL2419769)Show SMILES Cl.COc1ccc2ccoc2c1OCCNC[C@H]1COc2ccccc2O1 |r| Show InChI InChI=1S/C20H21NO5.ClH/c1-22-18-7-6-14-8-10-23-19(14)20(18)24-11-9-21-12-15-13-25-16-4-2-3-5-17(16)26-15;/h2-8,10,15,21H,9,11-13H2,1H3;1H/t15-;/m0./s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.490 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Milano
Curated by ChEMBL
| Assay Description Displacement of [3H]prazosin from human alpha-1A adrenoreceptor expressed in CHO cells after 30 mins |
J Med Chem 56: 6402-12 (2013)
Article DOI: 10.1021/jm400867d BindingDB Entry DOI: 10.7270/Q2NV9N63 |
More data for this Ligand-Target Pair | |
Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50392645
(CHEMBL2153557)Show SMILES COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(F)c2O1 |r| Show InChI InChI=1S/C19H22FNO5/c1-22-15-6-4-7-16(23-2)19(15)24-10-9-21-11-13-12-25-17-8-3-5-14(20)18(17)26-13/h3-8,13,21H,9-12H2,1-2H3/t13-/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.490 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description Displacement of [3H]prazosin from human cloned alpha1D adrenoceptor expressed in CHO cell membranes after 30 mins by liquid scintillation counter |
Eur J Med Chem 58: 184-91 (2012)
Article DOI: 10.1016/j.ejmech.2012.09.049 BindingDB Entry DOI: 10.7270/Q2WQ04W7 |
More data for this Ligand-Target Pair | |
Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50392637
(CHEMBL215421)Show InChI InChI=1S/C19H23NO5/c1-21-17-8-5-9-18(22-2)19(17)23-11-10-20-12-14-13-24-15-6-3-4-7-16(15)25-14/h3-9,14,20H,10-13H2,1-2H3/t14-/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| 0.510 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Milano
Curated by ChEMBL
| Assay Description Displacement of [3H]prazosin from cloned human adrenergic alpha 1D receptor expressed in CHO cells |
J Med Chem 49: 7140-9 (2006)
Checked by Author Article DOI: 10.1021/jm060358r BindingDB Entry DOI: 10.7270/Q25Q4XBK |
More data for this Ligand-Target Pair | |
Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50392637
(CHEMBL215421)Show InChI InChI=1S/C19H23NO5/c1-21-17-8-5-9-18(22-2)19(17)23-11-10-20-12-14-13-24-15-6-3-4-7-16(15)25-14/h3-9,14,20H,10-13H2,1-2H3/t14-/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| 0.513 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Milano
Curated by ChEMBL
| Assay Description Displacement of [3H]prazosin from human alpha-1D adrenoreceptor expressed in CHO cells after 30 mins |
J Med Chem 56: 6402-12 (2013)
Article DOI: 10.1021/jm400867d BindingDB Entry DOI: 10.7270/Q2NV9N63 |
More data for this Ligand-Target Pair | |
Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50392637
(CHEMBL215421)Show InChI InChI=1S/C19H23NO5/c1-21-17-8-5-9-18(22-2)19(17)23-11-10-20-12-14-13-24-15-6-3-4-7-16(15)25-14/h3-9,14,20H,10-13H2,1-2H3/t14-/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| 0.513 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description Displacement of [3H]prazosin from human cloned alpha1D adrenoceptor expressed in CHO cell membranes after 30 mins by liquid scintillation counter |
Eur J Med Chem 58: 184-91 (2012)
Article DOI: 10.1016/j.ejmech.2012.09.049 BindingDB Entry DOI: 10.7270/Q2WQ04W7 |
More data for this Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM50392645
(CHEMBL2153557)Show SMILES COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(F)c2O1 |r| Show InChI InChI=1S/C19H22FNO5/c1-22-15-6-4-7-16(23-2)19(15)24-10-9-21-11-13-12-25-17-8-3-5-14(20)18(17)26-13/h3-8,13,21H,9-12H2,1-2H3/t13-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.646 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description Displacement of [3H]prazosin from human cloned alpha1A adrenoceptor expressed in CHO cell membranes after 30 mins by liquid scintillation counter |
Eur J Med Chem 58: 184-91 (2012)
Article DOI: 10.1016/j.ejmech.2012.09.049 BindingDB Entry DOI: 10.7270/Q2WQ04W7 |
More data for this Ligand-Target Pair | |
Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50392643
(CHEMBL2153555)Show SMILES COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(Cl)c2O1 |r| Show InChI InChI=1S/C19H22ClNO5/c1-22-15-6-4-7-16(23-2)19(15)24-10-9-21-11-13-12-25-17-8-3-5-14(20)18(17)26-13/h3-8,13,21H,9-12H2,1-2H3/t13-/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.708 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description Displacement of [3H]prazosin from human cloned alpha1D adrenoceptor expressed in CHO cell membranes after 30 mins by liquid scintillation counter |
Eur J Med Chem 58: 184-91 (2012)
Article DOI: 10.1016/j.ejmech.2012.09.049 BindingDB Entry DOI: 10.7270/Q2WQ04W7 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Rattus norvegicus (rat)) | BDBM50392641
(CHEMBL2153553)Show SMILES COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(OC)c2O1 |r| Show InChI InChI=1S/C20H25NO6/c1-22-15-6-4-7-16(23-2)19(15)25-11-10-21-12-14-13-26-18-9-5-8-17(24-3)20(18)27-14/h4-9,14,21H,10-13H2,1-3H3/t14-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.851 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description Displacement of [3H]-8-OH-DPAT from 5-HT1A receptor in rat hippocampal membranes after 30 mins by liquid scintillation counting |
Eur J Med Chem 58: 184-91 (2012)
Article DOI: 10.1016/j.ejmech.2012.09.049 BindingDB Entry DOI: 10.7270/Q2WQ04W7 |
More data for this Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM50392643
(CHEMBL2153555)Show SMILES COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(Cl)c2O1 |r| Show InChI InChI=1S/C19H22ClNO5/c1-22-15-6-4-7-16(23-2)19(15)24-10-9-21-11-13-12-25-17-8-3-5-14(20)18(17)26-13/h3-8,13,21H,9-12H2,1-2H3/t13-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.891 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description Displacement of [3H]prazosin from human cloned alpha1A adrenoceptor expressed in CHO cell membranes after 30 mins by liquid scintillation counter |
Eur J Med Chem 58: 184-91 (2012)
Article DOI: 10.1016/j.ejmech.2012.09.049 BindingDB Entry DOI: 10.7270/Q2WQ04W7 |
More data for this Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM50392641
(CHEMBL2153553)Show SMILES COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(OC)c2O1 |r| Show InChI InChI=1S/C20H25NO6/c1-22-15-6-4-7-16(23-2)19(15)25-11-10-21-12-14-13-26-18-9-5-8-17(24-3)20(18)27-14/h4-9,14,21H,10-13H2,1-3H3/t14-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.912 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description Displacement of [3H]prazosin from human cloned alpha1A adrenoceptor expressed in CHO cell membranes after 30 mins by liquid scintillation counter |
Eur J Med Chem 58: 184-91 (2012)
Article DOI: 10.1016/j.ejmech.2012.09.049 BindingDB Entry DOI: 10.7270/Q2WQ04W7 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Rattus norvegicus (rat)) | BDBM50392639
(CHEMBL2153551)Show SMILES COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(O)c2O1 |r| Show InChI InChI=1S/C19H23NO6/c1-22-15-6-4-7-16(23-2)19(15)24-10-9-20-11-13-12-25-17-8-3-5-14(21)18(17)26-13/h3-8,13,20-21H,9-12H2,1-2H3/t13-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
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 |
Universit£ di Milano
Curated by ChEMBL
| Assay Description Displacement of [3H]-8-OH-DPAT from 5-HT1A receptor in rat hippocampal membranes after 30 mins by liquid scintillation counting |
Eur J Med Chem 58: 184-91 (2012)
Article DOI: 10.1016/j.ejmech.2012.09.049 BindingDB Entry DOI: 10.7270/Q2WQ04W7 |
More data for this Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM50411193
(CHEMBL215151)Show SMILES COc1cccc(-c2ccccc2)c1OCCNC[C@H]1COc2ccccc2O1 |r| Show InChI InChI=1S/C24H25NO4/c1-26-23-13-7-10-20(18-8-3-2-4-9-18)24(23)27-15-14-25-16-19-17-28-21-11-5-6-12-22(21)29-19/h2-13,19,25H,14-17H2,1H3/t19-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Milano
Curated by ChEMBL
| Assay Description Displacement of [3H]prazosin from cloned human adrenergic alpha 1A receptor expressed in CHO cells |
J Med Chem 49: 7140-9 (2006)
Checked by Author Article DOI: 10.1021/jm060358r BindingDB Entry DOI: 10.7270/Q25Q4XBK |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50597520
(CHEMBL5200914)Show SMILES [I-].C[N+]1(C)CCC[C@@H]1COc1ccc(\C=C\c2ccccc2)cc1 |r| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00746 BindingDB Entry DOI: 10.7270/Q2J96BDG |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50597522
(CHEMBL5193143)Show SMILES [I-].CC[N+](C)(CC)[C@H]1C[C@H]1Oc1ccc(\C=C\c2ccccc2)cc1 |r| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00746 BindingDB Entry DOI: 10.7270/Q2J96BDG |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Rattus norvegicus (rat)) | BDBM50392645
(CHEMBL2153557)Show SMILES COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(F)c2O1 |r| Show InChI InChI=1S/C19H22FNO5/c1-22-15-6-4-7-16(23-2)19(15)24-10-9-21-11-13-12-25-17-8-3-5-14(20)18(17)26-13/h3-8,13,21H,9-12H2,1-2H3/t13-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.41 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description Displacement of [3H]-8-OH-DPAT from 5-HT1A receptor in rat hippocampal membranes after 30 mins by liquid scintillation counting |
Eur J Med Chem 58: 184-91 (2012)
Article DOI: 10.1016/j.ejmech.2012.09.049 BindingDB Entry DOI: 10.7270/Q2WQ04W7 |
More data for this Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM50411188
(CHEMBL217469)Show SMILES COc1ccc2ccccc2c1OCCNC[C@H]1COc2ccccc2O1 |r| Show InChI InChI=1S/C22H23NO4/c1-24-21-11-10-16-6-2-3-7-18(16)22(21)25-13-12-23-14-17-15-26-19-8-4-5-9-20(19)27-17/h2-11,17,23H,12-15H2,1H3/t17-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Milano
Curated by ChEMBL
| Assay Description Displacement of [3H]prazosin from human alpha-1A adrenoreceptor expressed in CHO cells after 30 mins |
J Med Chem 56: 6402-12 (2013)
Article DOI: 10.1021/jm400867d BindingDB Entry DOI: 10.7270/Q2NV9N63 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens) | BDBM50138474
((1R,3R,5S)-3-Benzo[b]thiophen-3-yl-8-((S)-8-methox...)Show SMILES COc1cccc2OC[C@H](CN3[C@H]4CC[C@@H]3C[C@](O)(C4)c3csc4ccccc34)Oc12 |THB:10:11:17.16.19:13.14| Show InChI InChI=1S/C25H27NO4S/c1-28-21-6-4-7-22-24(21)30-18(14-29-22)13-26-16-9-10-17(26)12-25(27,11-16)20-15-31-23-8-3-2-5-19(20)23/h2-8,15-18,27H,9-14H2,1H3/t16-,17+,18-,25+/m0/s1 | MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM50411188
(CHEMBL217469)Show SMILES COc1ccc2ccccc2c1OCCNC[C@H]1COc2ccccc2O1 |r| Show InChI InChI=1S/C22H23NO4/c1-24-21-11-10-16-6-2-3-7-18(16)22(21)25-13-12-23-14-17-15-26-19-8-4-5-9-20(19)27-17/h2-11,17,23H,12-15H2,1H3/t17-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Milano
Curated by ChEMBL
| Assay Description Displacement of [3H]prazosin from cloned human adrenergic alpha 1A receptor expressed in CHO cells |
J Med Chem 49: 7140-9 (2006)
Checked by Author Article DOI: 10.1021/jm060358r BindingDB Entry DOI: 10.7270/Q25Q4XBK |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Rattus norvegicus (rat)) | BDBM50392643
(CHEMBL2153555)Show SMILES COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(Cl)c2O1 |r| Show InChI InChI=1S/C19H22ClNO5/c1-22-15-6-4-7-16(23-2)19(15)24-10-9-21-11-13-12-25-17-8-3-5-14(20)18(17)26-13/h3-8,13,21H,9-12H2,1-2H3/t13-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description Displacement of [3H]-8-OH-DPAT from 5-HT1A receptor in rat hippocampal membranes after 30 mins by liquid scintillation counting |
Eur J Med Chem 58: 184-91 (2012)
Article DOI: 10.1016/j.ejmech.2012.09.049 BindingDB Entry DOI: 10.7270/Q2WQ04W7 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50026917
(8-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-8-a...)Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Milano
Curated by ChEMBL
| Assay Description Binding affinity to human 5-HT1A receptor |
J Med Chem 56: 6402-12 (2013)
Article DOI: 10.1021/jm400867d BindingDB Entry DOI: 10.7270/Q2NV9N63 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50597504
(CHEMBL5177606)Show SMILES [I-].C(C[N+]12CCC(CC1)CC2)Oc1ccc(\C=C\c2ccccc2)cc1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00746 BindingDB Entry DOI: 10.7270/Q2J96BDG |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50597518
(CHEMBL5182114)Show SMILES C[N+]12CCC(CC1)C(C2)Oc1ccc(\C=C\c2ccccc2)cc1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00746 BindingDB Entry DOI: 10.7270/Q2J96BDG |
More data for this Ligand-Target Pair | |
Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50493054
(CHEMBL2419769)Show SMILES Cl.COc1ccc2ccoc2c1OCCNC[C@H]1COc2ccccc2O1 |r| Show InChI InChI=1S/C20H21NO5.ClH/c1-22-18-7-6-14-8-10-23-19(14)20(18)24-11-9-21-12-15-13-25-16-4-2-3-5-17(16)26-15;/h2-8,10,15,21H,9,11-13H2,1H3;1H/t15-;/m0./s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Milano
Curated by ChEMBL
| Assay Description Displacement of [3H]prazosin from human alpha-1D adrenoreceptor expressed in CHO cells after 30 mins |
J Med Chem 56: 6402-12 (2013)
Article DOI: 10.1021/jm400867d BindingDB Entry DOI: 10.7270/Q2NV9N63 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM82070
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
KEGG PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Milano
Curated by ChEMBL
| Assay Description Inhibition of [3H]-epibatidine binding to alpha 4 beta 2 nicotinic acetylcholine receptor of rat cortex membranes |
Bioorg Med Chem Lett 14: 5827-30 (2004)
Article DOI: 10.1016/j.bmcl.2004.09.044 BindingDB Entry DOI: 10.7270/Q2B56J7G |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM50493056
(CHEMBL2419771)Show SMILES Cl.COc1ccc2CCOc2c1OCCNC[C@H]1COc2ccccc2O1 |r| Show InChI InChI=1S/C20H23NO5.ClH/c1-22-18-7-6-14-8-10-23-19(14)20(18)24-11-9-21-12-15-13-25-16-4-2-3-5-17(16)26-15;/h2-7,15,21H,8-13H2,1H3;1H/t15-;/m0./s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Milano
Curated by ChEMBL
| Assay Description Displacement of [3H]prazosin from human alpha-1A adrenoreceptor expressed in CHO cells after 30 mins |
J Med Chem 56: 6402-12 (2013)
Article DOI: 10.1021/jm400867d BindingDB Entry DOI: 10.7270/Q2NV9N63 |
More data for this Ligand-Target Pair | |
Alpha-1B adrenergic receptor
(Homo sapiens (Human)) | BDBM50392643
(CHEMBL2153555)Show SMILES COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(Cl)c2O1 |r| Show InChI InChI=1S/C19H22ClNO5/c1-22-15-6-4-7-16(23-2)19(15)24-10-9-21-11-13-12-25-17-8-3-5-14(20)18(17)26-13/h3-8,13,21H,9-12H2,1-2H3/t13-/m0/s1 | UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description Displacement of [3H]prazosin from human cloned alpha1B adrenoceptor expressed in CHO cell membranes after 30 mins by liquid scintillation counter |
Eur J Med Chem 58: 184-91 (2012)
Article DOI: 10.1016/j.ejmech.2012.09.049 BindingDB Entry DOI: 10.7270/Q2WQ04W7 |
More data for this Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM50392639
(CHEMBL2153551)Show SMILES COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(O)c2O1 |r| Show InChI InChI=1S/C19H23NO6/c1-22-15-6-4-7-16(23-2)19(15)24-10-9-20-11-13-12-25-17-8-3-5-14(21)18(17)26-13/h3-8,13,20-21H,9-12H2,1-2H3/t13-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description Displacement of [3H]prazosin from human cloned alpha1A adrenoceptor expressed in CHO cell membranes after 30 mins by liquid scintillation counter |
Eur J Med Chem 58: 184-91 (2012)
Article DOI: 10.1016/j.ejmech.2012.09.049 BindingDB Entry DOI: 10.7270/Q2WQ04W7 |
More data for this Ligand-Target Pair | |
Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50493056
(CHEMBL2419771)Show SMILES Cl.COc1ccc2CCOc2c1OCCNC[C@H]1COc2ccccc2O1 |r| Show InChI InChI=1S/C20H23NO5.ClH/c1-22-18-7-6-14-8-10-23-19(14)20(18)24-11-9-21-12-15-13-25-16-4-2-3-5-17(16)26-15;/h2-7,15,21H,8-13H2,1H3;1H/t15-;/m0./s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Milano
Curated by ChEMBL
| Assay Description Displacement of [3H]prazosin from human alpha-1D adrenoreceptor expressed in CHO cells after 30 mins |
J Med Chem 56: 6402-12 (2013)
Article DOI: 10.1021/jm400867d BindingDB Entry DOI: 10.7270/Q2NV9N63 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50597512
(CHEMBL5201239)Show SMILES [I-].C[N+]1(C)CC[C@@H](C1)Oc1ccc(\C=C\c2ccccc2)cc1 |r| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00746 BindingDB Entry DOI: 10.7270/Q2J96BDG |
More data for this Ligand-Target Pair | |
Alpha-1B adrenergic receptor
(Homo sapiens (Human)) | BDBM50392645
(CHEMBL2153557)Show SMILES COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(F)c2O1 |r| Show InChI InChI=1S/C19H22FNO5/c1-22-15-6-4-7-16(23-2)19(15)24-10-9-21-11-13-12-25-17-8-3-5-14(20)18(17)26-13/h3-8,13,21H,9-12H2,1-2H3/t13-/m0/s1 | UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description Displacement of [3H]prazosin from human cloned alpha1B adrenoceptor expressed in CHO cell membranes after 30 mins by liquid scintillation counter |
Eur J Med Chem 58: 184-91 (2012)
Article DOI: 10.1016/j.ejmech.2012.09.049 BindingDB Entry DOI: 10.7270/Q2WQ04W7 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Rattus norvegicus (rat)) | BDBM50392637
(CHEMBL215421)Show InChI InChI=1S/C19H23NO5/c1-21-17-8-5-9-18(22-2)19(17)23-11-10-20-12-14-13-24-15-6-3-4-7-16(15)25-14/h3-9,14,20H,10-13H2,1-2H3/t14-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| 2.45 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description Displacement of [3H]-8-OH-DPAT from 5-HT1A receptor in rat hippocampal membranes after 30 mins by liquid scintillation counting |
Eur J Med Chem 58: 184-91 (2012)
Article DOI: 10.1016/j.ejmech.2012.09.049 BindingDB Entry DOI: 10.7270/Q2WQ04W7 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Rattus norvegicus (rat)) | BDBM50392637
(CHEMBL215421)Show InChI InChI=1S/C19H23NO5/c1-21-17-8-5-9-18(22-2)19(17)23-11-10-20-12-14-13-24-15-6-3-4-7-16(15)25-14/h3-9,14,20H,10-13H2,1-2H3/t14-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Milano
Curated by ChEMBL
| Assay Description Displacement of [3H]-8-OHDPAT from 5-HT1A receptor in rat hippocampal membranes after 30 mins |
J Med Chem 56: 6402-12 (2013)
Article DOI: 10.1021/jm400867d BindingDB Entry DOI: 10.7270/Q2NV9N63 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Rattus norvegicus (rat)) | BDBM50392637
(CHEMBL215421)Show InChI InChI=1S/C19H23NO5/c1-21-17-8-5-9-18(22-2)19(17)23-11-10-20-12-14-13-24-15-6-3-4-7-16(15)25-14/h3-9,14,20H,10-13H2,1-2H3/t14-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Milano
Curated by ChEMBL
| Assay Description Displacement of [3H]8-OH-DPAT from 5-HT1A receptor in rat hippocampus |
J Med Chem 49: 7140-9 (2006)
Checked by Author Article DOI: 10.1021/jm060358r BindingDB Entry DOI: 10.7270/Q25Q4XBK |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Rattus norvegicus (rat)) | BDBM50493054
(CHEMBL2419769)Show SMILES Cl.COc1ccc2ccoc2c1OCCNC[C@H]1COc2ccccc2O1 |r| Show InChI InChI=1S/C20H21NO5.ClH/c1-22-18-7-6-14-8-10-23-19(14)20(18)24-11-9-21-12-15-13-25-16-4-2-3-5-17(16)26-15;/h2-8,10,15,21H,9,11-13H2,1H3;1H/t15-;/m0./s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Milano
Curated by ChEMBL
| Assay Description Displacement of [3H]-8-OHDPAT from 5-HT1A receptor in rat hippocampal membranes after 30 mins |
J Med Chem 56: 6402-12 (2013)
Article DOI: 10.1021/jm400867d BindingDB Entry DOI: 10.7270/Q2NV9N63 |
More data for this Ligand-Target Pair | |
Alpha-1B adrenergic receptor
(Homo sapiens (Human)) | BDBM50392641
(CHEMBL2153553)Show SMILES COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(OC)c2O1 |r| Show InChI InChI=1S/C20H25NO6/c1-22-15-6-4-7-16(23-2)19(15)25-11-10-21-12-14-13-26-18-9-5-8-17(24-3)20(18)27-14/h4-9,14,21H,10-13H2,1-3H3/t14-/m0/s1 | UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.75 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description Displacement of [3H]prazosin from human cloned alpha1B adrenoceptor expressed in CHO cell membranes after 30 mins by liquid scintillation counter |
Eur J Med Chem 58: 184-91 (2012)
Article DOI: 10.1016/j.ejmech.2012.09.049 BindingDB Entry DOI: 10.7270/Q2WQ04W7 |
More data for this Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM50411194
(CHEMBL383938)Show SMILES COc1ccc2CCCCc2c1OCCNC[C@H]1COc2ccccc2O1 |r| Show InChI InChI=1S/C22H27NO4/c1-24-21-11-10-16-6-2-3-7-18(16)22(21)25-13-12-23-14-17-15-26-19-8-4-5-9-20(19)27-17/h4-5,8-11,17,23H,2-3,6-7,12-15H2,1H3/t17-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Milano
Curated by ChEMBL
| Assay Description Displacement of [3H]prazosin from cloned human adrenergic alpha 1A receptor expressed in CHO cells |
J Med Chem 49: 7140-9 (2006)
Checked by Author Article DOI: 10.1021/jm060358r BindingDB Entry DOI: 10.7270/Q25Q4XBK |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50597517
(CHEMBL5171118)Show SMILES [I-].C[N+]1(C)CCC(CC1)Oc1ccc(\C=C\c2ccccc2)cc1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00746 BindingDB Entry DOI: 10.7270/Q2J96BDG |
More data for this Ligand-Target Pair | |
Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50411193
(CHEMBL215151)Show SMILES COc1cccc(-c2ccccc2)c1OCCNC[C@H]1COc2ccccc2O1 |r| Show InChI InChI=1S/C24H25NO4/c1-26-23-13-7-10-20(18-8-3-2-4-9-18)24(23)27-15-14-25-16-19-17-28-21-11-5-6-12-22(21)29-19/h2-13,19,25H,14-17H2,1H3/t19-/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Milano
Curated by ChEMBL
| Assay Description Displacement of [3H]prazosin from cloned human adrenergic alpha 1D receptor expressed in CHO cells |
J Med Chem 49: 7140-9 (2006)
Checked by Author Article DOI: 10.1021/jm060358r BindingDB Entry DOI: 10.7270/Q25Q4XBK |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50203716
(CHEMBL3982273)Show SMILES CN1CCC[C@H]1COc1cc(O)cc(c1)-c1ccc(O)cc1 |r| Show InChI InChI=1S/C18H21NO3/c1-19-8-2-3-15(19)12-22-18-10-14(9-17(21)11-18)13-4-6-16(20)7-5-13/h4-7,9-11,15,20-21H,2-3,8,12H2,1H3/t15-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Milano
Curated by ChEMBL
| Assay Description Displacement of [3H]-epibatidine from alpha4beta2-nACHR in rat cerebral cortex membranes preincubated for 30 mins followed by overnight incubation wi... |
Bioorg Med Chem Lett 26: 5613-5617 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.078 BindingDB Entry DOI: 10.7270/Q2RJ4MFR |
More data for this Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM50493055
(CHEMBL3216590)Show SMILES Cl.Cl.COc1ccc2CCNc2c1OCCNC[C@H]1COc2ccccc2O1 |r| Show InChI InChI=1S/C20H24N2O4.2ClH/c1-23-18-7-6-14-8-9-22-19(14)20(18)24-11-10-21-12-15-13-25-16-4-2-3-5-17(16)26-15;;/h2-7,15,21-22H,8-13H2,1H3;2*1H/t15-;;/m0../s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Milano
Curated by ChEMBL
| Assay Description Displacement of [3H]prazosin from human alpha-1A adrenoreceptor expressed in CHO cells after 30 mins |
J Med Chem 56: 6402-12 (2013)
Article DOI: 10.1021/jm400867d BindingDB Entry DOI: 10.7270/Q2NV9N63 |
More data for this Ligand-Target Pair | |
Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50392644
(CHEMBL2153556)Show SMILES COc1cccc(OC)c1OCCNC[C@@H]1COc2cccc(Cl)c2O1 |r| Show InChI InChI=1S/C19H22ClNO5/c1-22-15-6-4-7-16(23-2)19(15)24-10-9-21-11-13-12-25-17-8-3-5-14(20)18(17)26-13/h3-8,13,21H,9-12H2,1-2H3/t13-/m1/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.98 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description Displacement of [3H]prazosin from human cloned alpha1D adrenoceptor expressed in CHO cell membranes after 30 mins by liquid scintillation counter |
Eur J Med Chem 58: 184-91 (2012)
Article DOI: 10.1016/j.ejmech.2012.09.049 BindingDB Entry DOI: 10.7270/Q2WQ04W7 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM82070
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
KEGG PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Milano
Curated by ChEMBL
| Assay Description Displacement of [3H]-epibatidine from alpha4beta2-nACHR in rat cerebral cortex membranes preincubated for 30 mins followed by overnight incubation wi... |
Bioorg Med Chem Lett 26: 5613-5617 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.078 BindingDB Entry DOI: 10.7270/Q2RJ4MFR |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Neuronal acetylcholine receptor subunit alpha-4
(Rattus norvegicus (Rat)) | BDBM82070
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
KEGG PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Milano Pietro Pratesi
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from alpha4beta2 nAchR in rat brain cortex membrane |
Bioorg Med Chem Lett 19: 854-9 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.002 BindingDB Entry DOI: 10.7270/Q29K4B2T |
More data for this Ligand-Target Pair | 3D Structure (crystal) |