Found 407 hits with Last Name = 'loriga' and Initial = 'g' 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 |
|---|
Cannabinoid receptor 1
(Mus musculus (Mouse)) | BDBM50176988
(8-Chloro-1-(2,4-dichloro-phenyl)-1,3a,4,5,6,10b-he...)Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)NN2CCCCC2)c2CCCc3cc(Cl)ccc3-c12 Show InChI InChI=1S/C24H23Cl3N4O/c25-16-7-9-18-15(13-16)5-4-6-19-22(24(32)29-30-11-2-1-3-12-30)28-31(23(18)19)21-10-8-17(26)14-20(21)27/h7-10,13-14H,1-6,11-12H2,(H,29,32) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.000350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Sassari
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from CB1 receptor in CD1 mouse brain |
J Med Chem 48: 7351-62 (2005)
Article DOI: 10.1021/jm050317f
BindingDB Entry DOI: 10.7270/Q2CF9PNQ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Mus musculus (Mouse)) | BDBM50176980
(8-chloro-1-(2',4'-dichlorophenyl)-N-homopiperidin-...)Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)NN2CCCCCC2)c2CCCc3cc(Cl)ccc3-c12 Show InChI InChI=1S/C25H25Cl3N4O/c26-17-8-10-19-16(14-17)6-5-7-20-23(25(33)30-31-12-3-1-2-4-13-31)29-32(24(19)20)22-11-9-18(27)15-21(22)28/h8-11,14-15H,1-7,12-13H2,(H,30,33) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.00100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Sassari
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from CB1 receptor in CD1 mouse brain |
J Med Chem 48: 7351-62 (2005)
Article DOI: 10.1021/jm050317f
BindingDB Entry DOI: 10.7270/Q2CF9PNQ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Mus musculus (Mouse)) | BDBM50176989
(8-chloro-1-(2',4'-dichlorophenyl)-N-pyrrolidin-1-y...)Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)NN2CCCC2)c2CCCc3cc(Cl)ccc3-c12 Show InChI InChI=1S/C23H21Cl3N4O/c24-15-6-8-17-14(12-15)4-3-5-18-21(23(31)28-29-10-1-2-11-29)27-30(22(17)18)20-9-7-16(25)13-19(20)26/h6-9,12-13H,1-5,10-11H2,(H,28,31) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.00400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Sassari
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from CB1 receptor in CD1 mouse brain |
J Med Chem 48: 7351-62 (2005)
Article DOI: 10.1021/jm050317f
BindingDB Entry DOI: 10.7270/Q2CF9PNQ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Mus musculus (Mouse)) | BDBM50176979
(8-methyl-1-(2',4'-dichlorophenyl)-N-piperidin-1-yl...)Show SMILES Cc1ccc2-c3c(CCCc2c1)c(nn3-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C25H26Cl2N4O/c1-16-8-10-19-17(14-16)6-5-7-20-23(25(32)29-30-12-3-2-4-13-30)28-31(24(19)20)22-11-9-18(26)15-21(22)27/h8-11,14-15H,2-7,12-13H2,1H3,(H,29,32) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.00520 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Sassari
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from CB1 receptor in CD1 mouse brain |
J Med Chem 48: 7351-62 (2005)
Article DOI: 10.1021/jm050317f
BindingDB Entry DOI: 10.7270/Q2CF9PNQ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Mus musculus (Mouse)) | BDBM50176986
(8-bromo-1-(2',4'-dichlorophenyl)-N-piperidin-1-yl-...)Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)NN2CCCCC2)c2CCCc3cc(Br)ccc3-c12 Show InChI InChI=1S/C24H23BrCl2N4O/c25-16-7-9-18-15(13-16)5-4-6-19-22(24(32)29-30-11-2-1-3-12-30)28-31(23(18)19)21-10-8-17(26)14-20(21)27/h7-10,13-14H,1-6,11-12H2,(H,29,32) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.00800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Sassari
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from CB1 receptor in CD1 mouse brain |
J Med Chem 48: 7351-62 (2005)
Article DOI: 10.1021/jm050317f
BindingDB Entry DOI: 10.7270/Q2CF9PNQ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Mus musculus (Mouse)) | BDBM50176990
(8-chloro-1-(2',4'-dichlorophenyl)-N-p-methoxylphen...)Show SMILES COc1ccc(NC(=O)c2nn(c-3c2CCCc2cc(Cl)ccc-32)-c2ccc(Cl)cc2Cl)cc1 Show InChI InChI=1S/C26H20Cl3N3O2/c1-34-19-9-7-18(8-10-19)30-26(33)24-21-4-2-3-15-13-16(27)5-11-20(15)25(21)32(31-24)23-12-6-17(28)14-22(23)29/h5-14H,2-4H2,1H3,(H,30,33) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Sassari
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from CB1 receptor in CD1 mouse brain |
J Med Chem 48: 7351-62 (2005)
Article DOI: 10.1021/jm050317f
BindingDB Entry DOI: 10.7270/Q2CF9PNQ |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50216315
((1R,4R)-2-(6-chloro-3-pyridinyl)-2,5-diazabicyclo[...)Show InChI InChI=1S/C10H12ClN3/c11-10-2-1-8(4-13-10)14-6-7-3-9(14)5-12-7/h1-2,4,7,9,12H,3,5-6H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Chimica Biomolecolare
Curated by ChEMBL
| Assay Description
Agonist activity at alpha4beta2 nAChR (unknown origin) |
Eur J Med Chem 152: 401-416 (2018)
Article DOI: 10.1016/j.ejmech.2018.04.026
BindingDB Entry DOI: 10.7270/Q2930WQM |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50406803
(CHEMBL4168511)Show SMILES [H][C@@]12CN(c3cccnc3)[C@@]([H])(CN1)C2 |r| Show InChI InChI=1S/C10H13N3/c1-2-9(5-11-3-1)13-7-8-4-10(13)6-12-8/h1-3,5,8,10,12H,4,6-7H2/t8-,10-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Chimica Biomolecolare
Curated by ChEMBL
| Assay Description
Agonist activity at alpha4beta2 nAChR (unknown origin) |
Eur J Med Chem 152: 401-416 (2018)
Article DOI: 10.1016/j.ejmech.2018.04.026
BindingDB Entry DOI: 10.7270/Q2930WQM |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50406472
(CHEMBL4163848)Show SMILES [O-][N+](=O)c1ccc(Nc2cncc(c2)N2CC3CC(C2)N3)cc1 |TLB:12:14:20:17| Show InChI InChI=1S/C20H24N6O6/c21-20-25-16-13(18(30)26-20)7-12(9-23-16)22-8-10-1-3-11(4-2-10)17(29)24-14(19(31)32)5-6-15(27)28/h1-4,12,14,22H,5-9H2,(H,24,29)(H,27,28)(H,31,32)(H4,21,23,25,26,30) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0225 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Chimica Biomolecolare
Curated by ChEMBL
| Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cortex membranes |
Eur J Med Chem 152: 401-416 (2018)
Article DOI: 10.1016/j.ejmech.2018.04.026
BindingDB Entry DOI: 10.7270/Q2930WQM |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50200169
(6-methyl-1-(2',4'-dichlorophenyl)-N-piperidin-1-yl...)Show SMILES Cc1ccc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)NN2CCCCC2)c1 Show InChI InChI=1S/C23H22Cl2N4O/c1-14-5-7-17-15(11-14)12-18-21(23(30)27-28-9-3-2-4-10-28)26-29(22(17)18)20-8-6-16(24)13-19(20)25/h5-8,11,13H,2-4,9-10,12H2,1H3,(H,27,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.0370 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description
Binding affinity to CB2 receptor (unknown origin) |
Eur J Med Chem 82: 281-92 (2014)
Article DOI: 10.1016/j.ejmech.2014.05.055
BindingDB Entry DOI: 10.7270/Q2D2206G |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(MOUSE) | BDBM50200169
(6-methyl-1-(2',4'-dichlorophenyl)-N-piperidin-1-yl...)Show SMILES Cc1ccc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)NN2CCCCC2)c1 Show InChI InChI=1S/C23H22Cl2N4O/c1-14-5-7-17-15(11-14)12-18-21(23(30)27-28-9-3-2-4-10-28)26-29(22(17)18)20-8-6-16(24)13-19(20)25/h5-8,11,13H,2-4,9-10,12H2,1H3,(H,27,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from CD1 mouse spleen CB2 receptor |
J Med Chem 49: 7502-12 (2006)
Article DOI: 10.1021/jm060920d
BindingDB Entry DOI: 10.7270/Q2057GRN |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | 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
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
KEGG
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| 0.0450 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Chimica Biomolecolare
Curated by ChEMBL
| Assay Description
Agonist activity at alpha4beta2 nAChR (unknown origin) |
Eur J Med Chem 152: 401-416 (2018)
Article DOI: 10.1016/j.ejmech.2018.04.026
BindingDB Entry DOI: 10.7270/Q2930WQM |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50049757
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Chimica Biomolecolare
Curated by ChEMBL
| Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cortex membranes |
Eur J Med Chem 152: 401-416 (2018)
Article DOI: 10.1016/j.ejmech.2018.04.026
BindingDB Entry DOI: 10.7270/Q2930WQM |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50406539
(CHEMBL4175573)Show SMILES COc1ccc(Nc2cncc(c2)N2CC3CC(C2)N3)cc1 |TLB:11:13:19:16| Show InChI InChI=1S/C17H20N4O/c1-22-17-4-2-12(3-5-17)19-13-7-16(9-18-8-13)21-10-14-6-15(11-21)20-14/h2-5,7-9,14-15,19-20H,6,10-11H2,1H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0598 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Chimica Biomolecolare
Curated by ChEMBL
| Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cortex membranes |
Eur J Med Chem 152: 401-416 (2018)
Article DOI: 10.1016/j.ejmech.2018.04.026
BindingDB Entry DOI: 10.7270/Q2930WQM |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50406641
(CHEMBL4170527)Show SMILES C1C2CN(CC1N2)c1cncc(Nc2ccccc2)c1 |TLB:7:3:6:0| Show InChI InChI=1S/C26H33I2N7O2/c27-22-15-20(16-23(28)24(22)30)25(36)31-9-10-33-26(34-18-29)32-8-5-13-37-21-7-4-6-19(14-21)17-35-11-2-1-3-12-35/h4,6-7,14-16H,1-3,5,8-13,17,30H2,(H,31,36)(H2,32,33,34) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0807 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Chimica Biomolecolare
Curated by ChEMBL
| Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cortex membranes |
Eur J Med Chem 152: 401-416 (2018)
Article DOI: 10.1016/j.ejmech.2018.04.026
BindingDB Entry DOI: 10.7270/Q2930WQM |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50406500
(CHEMBL4166573)Show SMILES Fc1ccc(Nc2cncc(c2)N2CC3CC(C2)N3)cc1 |TLB:10:12:18:15| Show InChI InChI=1S/C16H17FN4/c17-11-1-3-12(4-2-11)19-13-6-16(8-18-7-13)21-9-14-5-15(10-21)20-14/h1-4,6-8,14-15,19-20H,5,9-10H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0910 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Chimica Biomolecolare
Curated by ChEMBL
| Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cortex membranes |
Eur J Med Chem 152: 401-416 (2018)
Article DOI: 10.1016/j.ejmech.2018.04.026
BindingDB Entry DOI: 10.7270/Q2930WQM |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Mus musculus (Mouse)) | BDBM50176987
(8-methyl-1-(2',4'-dichlorophenyl)-N-pyrrolidin-1-y...)Show SMILES Cc1ccc2-c3c(CCCc2c1)c(nn3-c1ccc(Cl)cc1Cl)C(=O)NN1CCCC1 Show InChI InChI=1S/C24H24Cl2N4O/c1-15-7-9-18-16(13-15)5-4-6-19-22(24(31)28-29-11-2-3-12-29)27-30(23(18)19)21-10-8-17(25)14-20(21)26/h7-10,13-14H,2-6,11-12H2,1H3,(H,28,31) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Sassari
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from CB1 receptor in CD1 mouse brain |
J Med Chem 48: 7351-62 (2005)
Article DOI: 10.1021/jm050317f
BindingDB Entry DOI: 10.7270/Q2CF9PNQ |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50406544
(CHEMBL4174940)Show SMILES Clc1ccc(Nc2cncc(c2)N2CC3CC(C2)N3)cc1 |TLB:10:12:18:15| Show InChI InChI=1S/C16H17ClN4/c17-11-1-3-12(4-2-11)19-13-6-16(8-18-7-13)21-9-14-5-15(10-21)20-14/h1-4,6-8,14-15,19-20H,5,9-10H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.118 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Chimica Biomolecolare
Curated by ChEMBL
| Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cortex membranes |
Eur J Med Chem 152: 401-416 (2018)
Article DOI: 10.1016/j.ejmech.2018.04.026
BindingDB Entry DOI: 10.7270/Q2930WQM |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50406515
(CHEMBL4161931)Show SMILES Clc1cccc(Nc2cncc(c2)N2CC3CC(C2)N3)c1 |TLB:11:13:19:16| Show InChI InChI=1S/C16H17ClN4/c17-11-2-1-3-12(4-11)19-13-6-16(8-18-7-13)21-9-14-5-15(10-21)20-14/h1-4,6-8,14-15,19-20H,5,9-10H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.124 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Chimica Biomolecolare
Curated by ChEMBL
| Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cortex membranes |
Eur J Med Chem 152: 401-416 (2018)
Article DOI: 10.1016/j.ejmech.2018.04.026
BindingDB Entry DOI: 10.7270/Q2930WQM |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50406685
(CHEMBL4164252)Show SMILES Cc1ccc(Nc2cncc(c2)N2CC3CC(C2)N3)cc1 |TLB:10:12:18:15| Show InChI InChI=1S/C19H15N7O2/c27-19(28)16-10-20-11-22-17(16)21-9-12-5-7-13(8-6-12)14-3-1-2-4-15(14)18-23-25-26-24-18/h1-8,10-11H,9H2,(H,27,28)(H,20,21,22)(H,23,24,25,26) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
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| PC cid
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UniChem
Similars
| Article
PubMed
| 0.148 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Chimica Biomolecolare
Curated by ChEMBL
| Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cortex membranes |
Eur J Med Chem 152: 401-416 (2018)
Article DOI: 10.1016/j.ejmech.2018.04.026
BindingDB Entry DOI: 10.7270/Q2930WQM |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human)) | BDBM50049757
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2 | PDB
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antibodypedia
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| Purchase
CHEMBL
PC cid
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| Article
PubMed
| 0.150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Chimica Biomolecolare
Curated by ChEMBL
| Assay Description
Displacement of [3H]epibatidine from human alpha3beta4 nAChR expressed in HEK293 cell membranes |
Eur J Med Chem 152: 401-416 (2018)
Article DOI: 10.1016/j.ejmech.2018.04.026
BindingDB Entry DOI: 10.7270/Q2930WQM |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50406542
(CHEMBL4160595)Show InChI InChI=1S/C10H13N3/c1-2-9(5-11-3-1)13-7-8-4-10(13)6-12-8/h1-3,5,8,10,12H,4,6-7H2/t8-,10-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Chimica Biomolecolare
Curated by ChEMBL
| Assay Description
Agonist activity at alpha4beta2 nAChR (unknown origin) |
Eur J Med Chem 152: 401-416 (2018)
Article DOI: 10.1016/j.ejmech.2018.04.026
BindingDB Entry DOI: 10.7270/Q2930WQM |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM21392
(3-(2-aminoethyl)-1H-indole-5-carboxamide | 5-CT | ...)Show InChI InChI=1S/C11H13N3O/c12-4-3-8-6-14-10-2-1-7(11(13)15)5-9(8)10/h1-2,5-6,14H,3-4,12H2,(H2,13,15) | PDB
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antibodypedia
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CHEMBL
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UniChem
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| | 0.200 | 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 | |
Delta-type opioid receptor
(MOUSE) | BDBM50493712
(CHEMBL2436046)Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1C2CCC1C1CCC2N1CC=C)c1cccc(OC)c1 |TLB:21:22:14:17.16,20:19:14:17.16,13:14:23:21.20,THB:17:18:23:21.20,16:15:23:21.20,24:23:14:17.16| Show InChI InChI=1S/C30H39N3O2/c1-5-19-32-25-15-16-26(32)28-18-17-27(25)33(28)29(23-9-8-10-24(20-23)35-4)21-11-13-22(14-12-21)30(34)31(6-2)7-3/h5,8-14,20,25-29H,1,6-7,15-19H2,2-4H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.203 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
C.N.R. Istituto di Farmacologia Traslazionale
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from mouse brain delta opioid receptor by scintillation counting analysis |
Eur J Med Chem 69: 413-26 (2013)
Article DOI: 10.1016/j.ejmech.2013.09.014
BindingDB Entry DOI: 10.7270/Q24M97GN |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50493715
(CHEMBL2436052)Show SMILES Oc1cccc(c1)C(N1C2CCC1C1CCC2N1CC=C)c1ccc(cc1)C(=O)N1CCCC1 |TLB:15:16:8:11.10,14:13:8:11.10,7:8:17:15.14,THB:11:12:17:15.14,10:9:17:15.14,18:17:8:11.10| Show InChI InChI=1S/C29H35N3O2/c1-2-16-31-24-12-13-25(31)27-15-14-26(24)32(27)28(22-6-5-7-23(33)19-22)20-8-10-21(11-9-20)29(34)30-17-3-4-18-30/h2,5-11,19,24-28,33H,1,3-4,12-18H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.208 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
C.N.R. Istituto di Farmacologia Traslazionale
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from mouse brain delta opioid receptor by scintillation counting analysis |
Eur J Med Chem 69: 413-26 (2013)
Article DOI: 10.1016/j.ejmech.2013.09.014
BindingDB Entry DOI: 10.7270/Q24M97GN |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50493711
(CHEMBL2436050)Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1C2CCC1C1CCC2N1CC=C)c1cccc(O)c1 |TLB:21:22:14:17.16,20:19:14:17.16,13:14:23:21.20,THB:17:18:23:21.20,16:15:23:21.20,24:23:14:17.16| Show InChI InChI=1S/C29H37N3O2/c1-4-18-31-24-14-15-25(31)27-17-16-26(24)32(27)28(22-8-7-9-23(33)19-22)20-10-12-21(13-11-20)29(34)30(5-2)6-3/h4,7-13,19,24-28,33H,1,5-6,14-18H2,2-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
C.N.R. Istituto di Farmacologia Traslazionale
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from mouse brain delta opioid receptor by scintillation counting analysis |
Eur J Med Chem 69: 413-26 (2013)
Article DOI: 10.1016/j.ejmech.2013.09.014
BindingDB Entry DOI: 10.7270/Q24M97GN |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50493714
(CHEMBL2436056)Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1C2CCC3C1CCC2N3CC=C)c1cccc(O)c1 |TLB:13:14:16.17:22.23,13:14:20.21:18.23,17:18:14.15:20.21,24:23:14.19:16.17,THB:16:15:20.21:18.23,20:19:16.17:22.23,21:22:14.19:16.17,23:18:14:20.21.22,23:22:14:16.17.18,24:23:14.15:20.21| Show InChI InChI=1S/C29H37N3O2/c1-4-18-31-24-14-16-26-25(31)15-17-27(24)32(26)28(22-8-7-9-23(33)19-22)20-10-12-21(13-11-20)29(34)30(5-2)6-3/h4,7-13,19,24-28,33H,1,5-6,14-18H2,2-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.267 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
C.N.R. Istituto di Farmacologia Traslazionale
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from mouse brain delta opioid receptor by scintillation counting analysis |
Eur J Med Chem 69: 413-26 (2013)
Article DOI: 10.1016/j.ejmech.2013.09.014
BindingDB Entry DOI: 10.7270/Q24M97GN |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(MOUSE) | BDBM50180022
(5-(4-chloro-3-methyl-phenyl)-1-(4-methyl-benzyl)-1...)Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2C3(C)CCC(C3)C2(C)C)cc1 |THB:21:22:26.25:28| Show InChI InChI=1S/C29H34ClN3O/c1-18-6-8-20(9-7-18)17-33-25(21-10-11-23(30)19(2)14-21)15-24(32-33)26(34)31-27-28(3,4)22-12-13-29(27,5)16-22/h6-11,14-15,22,27H,12-13,16-17H2,1-5H3,(H,31,34) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from CD1 mouse spleen CB2 receptor |
J Med Chem 49: 7502-12 (2006)
Article DOI: 10.1021/jm060920d
BindingDB Entry DOI: 10.7270/Q2057GRN |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50180022
(5-(4-chloro-3-methyl-phenyl)-1-(4-methyl-benzyl)-1...)Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2C3(C)CCC(C3)C2(C)C)cc1 |THB:21:22:26.25:28| Show InChI InChI=1S/C29H34ClN3O/c1-18-6-8-20(9-7-18)17-33-25(21-10-11-23(30)19(2)14-21)15-24(32-33)26(34)31-27-28(3,4)22-12-13-29(27,5)16-22/h6-11,14-15,22,27H,12-13,16-17H2,1-5H3,(H,31,34) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP-55,940 from CB2 receptor (unknown origin) |
Eur J Med Chem 82: 281-92 (2014)
Article DOI: 10.1016/j.ejmech.2014.05.055
BindingDB Entry DOI: 10.7270/Q2D2206G |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Mus musculus (Mouse)) | BDBM50176976
(8-chloro-1-(2',4'-dichlorophenyl)-N-cyclohexyl-1,4...)Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)NC2CCCCC2)c2CCCc3cc(Cl)ccc3-c12 Show InChI InChI=1S/C25H24Cl3N3O/c26-16-9-11-19-15(13-16)5-4-8-20-23(25(32)29-18-6-2-1-3-7-18)30-31(24(19)20)22-12-10-17(27)14-21(22)28/h9-14,18H,1-8H2,(H,29,32) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Sassari
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from CB1 receptor in CD1 mouse brain |
J Med Chem 48: 7351-62 (2005)
Article DOI: 10.1021/jm050317f
BindingDB Entry DOI: 10.7270/Q2CF9PNQ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(MOUSE) | BDBM50176977
(1,4-dihydroindeno[1,2-c]-pyrazole | 6-chloro-1-(2'...)Show SMILES Clc1ccc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)NN2CCCCC2)c1 Show InChI InChI=1S/C22H19Cl3N4O/c23-14-4-6-16-13(10-14)11-17-20(22(30)27-28-8-2-1-3-9-28)26-29(21(16)17)19-7-5-15(24)12-18(19)25/h4-7,10,12H,1-3,8-9,11H2,(H,27,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from CD1 mouse spleen CB2 receptor |
J Med Chem 49: 7502-12 (2006)
Article DOI: 10.1021/jm060920d
BindingDB Entry DOI: 10.7270/Q2057GRN |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50114372
(CHEMBL3604279)Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1C2CCC1CN(CC=C)C2)c1cccc(OC)c1 Show InChI InChI=1S/C28H37N3O2/c1-5-17-29-19-24-15-16-25(20-29)31(24)27(23-9-8-10-26(18-23)33-4)21-11-13-22(14-12-21)28(32)30(6-2)7-3/h5,8-14,18,24-25,27H,1,6-7,15-17,19-20H2,2-4H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Farmacologia Traslazionale
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in mouse brain membranes by liquid scintillation counting method |
Bioorg Med Chem 23: 5527-38 (2015)
Article DOI: 10.1016/j.bmc.2015.07.036
BindingDB Entry DOI: 10.7270/Q2222WK2 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(MOUSE) | BDBM50176977
(1,4-dihydroindeno[1,2-c]-pyrazole | 6-chloro-1-(2'...)Show SMILES Clc1ccc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)NN2CCCCC2)c1 Show InChI InChI=1S/C22H19Cl3N4O/c23-14-4-6-16-13(10-14)11-17-20(22(30)27-28-8-2-1-3-9-28)26-29(21(16)17)19-7-5-15(24)12-18(19)25/h4-7,10,12H,1-3,8-9,11H2,(H,27,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Sassari
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from CB2 receptor in CD1 mouse spleen |
J Med Chem 48: 7351-62 (2005)
Article DOI: 10.1021/jm050317f
BindingDB Entry DOI: 10.7270/Q2CF9PNQ |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50406792
(CHEMBL4174509)Show SMILES Oc1ccc(Nc2cncc(c2)N2CC3CC(C2)N3)cc1 |TLB:10:12:18:15| Show InChI InChI=1S/C48H58N6O6/c1-3-4-5-6-13-22-43(56)53-31-35(37-20-14-15-21-41(37)53)28-38(49-42(55)29-40-48(60)54-36-25-23-34(24-26-36)44(54)46(58)51-40)45(57)50-39(27-32-16-9-7-10-17-32)47(59)52(2)30-33-18-11-8-12-19-33/h7-12,14-21,31,34,36,38-40,44H,3-6,13,22-30H2,1-2H3,(H,49,55)(H,50,57)(H,51,58) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.342 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Chimica Biomolecolare
Curated by ChEMBL
| Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cortex membranes |
Eur J Med Chem 152: 401-416 (2018)
Article DOI: 10.1016/j.ejmech.2018.04.026
BindingDB Entry DOI: 10.7270/Q2930WQM |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50406686
(CHEMBL4167298)Show SMILES FC(F)(F)c1ccc(Nc2cncc(c2)N2CC3CC(C2)N3)cc1 |TLB:13:15:21:18| Show InChI InChI=1S/C24H25N7O2/c1-3-4-9-21-25-14-20(24(32)33)23(26-21)31(2)15-16-10-12-17(13-11-16)18-7-5-6-8-19(18)22-27-29-30-28-22/h5-8,10-14H,3-4,9,15H2,1-2H3,(H,32,33)(H,27,28,29,30) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.373 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Chimica Biomolecolare
Curated by ChEMBL
| Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cortex membranes |
Eur J Med Chem 152: 401-416 (2018)
Article DOI: 10.1016/j.ejmech.2018.04.026
BindingDB Entry DOI: 10.7270/Q2930WQM |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50406543
(CHEMBL4169986)Show InChI InChI=1S/C11H15N3/c1-2-11(6-12-5-1)14-7-9-3-4-10(8-14)13-9/h1-2,5-6,9-10,13H,3-4,7-8H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Chimica Biomolecolare
Curated by ChEMBL
| Assay Description
Agonist activity at alpha4beta2 nAChR (unknown origin) |
Eur J Med Chem 152: 401-416 (2018)
Article DOI: 10.1016/j.ejmech.2018.04.026
BindingDB Entry DOI: 10.7270/Q2930WQM |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(MOUSE) | BDBM50176979
(8-methyl-1-(2',4'-dichlorophenyl)-N-piperidin-1-yl...)Show SMILES Cc1ccc2-c3c(CCCc2c1)c(nn3-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C25H26Cl2N4O/c1-16-8-10-19-17(14-16)6-5-7-20-23(25(32)29-30-12-3-2-4-13-30)28-31(24(19)20)22-11-9-18(26)15-21(22)27/h8-11,14-15H,2-7,12-13H2,1H3,(H,29,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.460 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Sassari
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from CB2 receptor in CD1 mouse spleen |
J Med Chem 48: 7351-62 (2005)
Article DOI: 10.1021/jm050317f
BindingDB Entry DOI: 10.7270/Q2CF9PNQ |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50406541
(CHEMBL4163257)Show SMILES FC(F)(F)c1ccc(Nc2ccc(cn2)N2CC3CC(C2)N3)cc1 |TLB:12:15:21:18| Show InChI InChI=1S/C17H17F3N4/c18-17(19,20)11-1-3-12(4-2-11)23-16-6-5-15(8-21-16)24-9-13-7-14(10-24)22-13/h1-6,8,13-14,22H,7,9-10H2,(H,21,23) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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| PC cid
PC sid
UniChem
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| Article
PubMed
| 0.569 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Chimica Biomolecolare
Curated by ChEMBL
| Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cortex membranes |
Eur J Med Chem 152: 401-416 (2018)
Article DOI: 10.1016/j.ejmech.2018.04.026
BindingDB Entry DOI: 10.7270/Q2930WQM |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50493709
(CHEMBL2434980)Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1C2CCC3C1CCC2N3CC=C)c1cccc(OC)c1 |TLB:13:14:16.17:22.23,13:14:20.21:18.23,17:18:14.15:20.21,24:23:14.19:16.17,THB:16:15:20.21:18.23,20:19:16.17:22.23,21:22:14.19:16.17,23:18:14:20.21.22,23:22:14:16.17.18,24:23:14.15:20.21| Show InChI InChI=1S/C30H39N3O2/c1-5-19-32-25-15-17-27-26(32)16-18-28(25)33(27)29(23-9-8-10-24(20-23)35-4)21-11-13-22(14-12-21)30(34)31(6-2)7-3/h5,8-14,20,25-29H,1,6-7,15-19H2,2-4H3 | PDB
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| PC cid
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UniChem
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| 0.633 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
C.N.R. Istituto di Farmacologia Traslazionale
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from mouse brain delta opioid receptor by scintillation counting analysis |
Eur J Med Chem 69: 413-26 (2013)
Article DOI: 10.1016/j.ejmech.2013.09.014
BindingDB Entry DOI: 10.7270/Q24M97GN |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(MOUSE) | BDBM50176976
(8-chloro-1-(2',4'-dichlorophenyl)-N-cyclohexyl-1,4...)Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)NC2CCCCC2)c2CCCc3cc(Cl)ccc3-c12 Show InChI InChI=1S/C25H24Cl3N3O/c26-16-9-11-19-15(13-16)5-4-8-20-23(25(32)29-18-6-2-1-3-7-18)30-31(24(19)20)22-12-10-17(27)14-21(22)28/h9-14,18H,1-8H2,(H,29,32) | PDB
Reactome pathway
KEGG
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| CHEMBL
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PC sid
UniChem
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PubMed
| 0.650 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Sassari
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from CB2 receptor in CD1 mouse spleen |
J Med Chem 48: 7351-62 (2005)
Article DOI: 10.1021/jm050317f
BindingDB Entry DOI: 10.7270/Q2CF9PNQ |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human)) | BDBM50406472
(CHEMBL4163848)Show SMILES [O-][N+](=O)c1ccc(Nc2cncc(c2)N2CC3CC(C2)N3)cc1 |TLB:12:14:20:17| Show InChI InChI=1S/C20H24N6O6/c21-20-25-16-13(18(30)26-20)7-12(9-23-16)22-8-10-1-3-11(4-2-10)17(29)24-14(19(31)32)5-6-15(27)28/h1-4,12,14,22H,5-9H2,(H,24,29)(H,27,28)(H,31,32)(H4,21,23,25,26,30) | PDB
KEGG
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| 0.684 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Chimica Biomolecolare
Curated by ChEMBL
| Assay Description
Displacement of [3H]epibatidine from human alpha3beta4 nAChR expressed in HEK293 cell membranes |
Eur J Med Chem 152: 401-416 (2018)
Article DOI: 10.1016/j.ejmech.2018.04.026
BindingDB Entry DOI: 10.7270/Q2930WQM |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50493713
(CHEMBL2436057)Show SMILES COc1cccc(c1)C(N1C2CCC3C1CCC2N3CC=C)c1ccc(cc1)C(=O)N1CCCC1 |TLB:8:9:11.12:17.18,8:9:15.16:13.18,12:13:9.10:15.16,19:18:9.14:11.12,THB:11:10:15.16:13.18,15:14:11.12:17.18,16:17:9.14:11.12,18:13:9:15.16.17,18:17:9:11.12.13,19:18:9.10:15.16| Show InChI InChI=1S/C30H37N3O2/c1-3-17-32-25-13-15-27-26(32)14-16-28(25)33(27)29(23-7-6-8-24(20-23)35-2)21-9-11-22(12-10-21)30(34)31-18-4-5-19-31/h3,6-12,20,25-29H,1,4-5,13-19H2,2H3 | PDB
Reactome pathway
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| PC cid
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| Article
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| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
C.N.R. Istituto di Farmacologia Traslazionale
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from mouse brain delta opioid receptor by scintillation counting analysis |
Eur J Med Chem 69: 413-26 (2013)
Article DOI: 10.1016/j.ejmech.2013.09.014
BindingDB Entry DOI: 10.7270/Q24M97GN |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50039029
((+)-4-((alpha R)-((2S,5R)-4-allyl-2,5-dimethylpipe...)Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(OC)c1 |r| Show InChI InChI=1S/C28H39N3O2/c1-7-17-30-19-22(5)31(20-21(30)4)27(25-11-10-12-26(18-25)33-6)23-13-15-24(16-14-23)28(32)29(8-2)9-3/h7,10-16,18,21-22,27H,1,8-9,17,19-20H2,2-6H3/t21-,22+,27-/m1/s1 | PDB
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CHEMBL
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UniChem
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PubMed
| 0.710 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
C.N.R. Istituto di Farmacologia Traslazionale
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from mouse brain delta opioid receptor by scintillation counting analysis |
Eur J Med Chem 69: 413-26 (2013)
Article DOI: 10.1016/j.ejmech.2013.09.014
BindingDB Entry DOI: 10.7270/Q24M97GN |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human)) | BDBM50406641
(CHEMBL4170527)Show SMILES C1C2CN(CC1N2)c1cncc(Nc2ccccc2)c1 |TLB:7:3:6:0| Show InChI InChI=1S/C26H33I2N7O2/c27-22-15-20(16-23(28)24(22)30)25(36)31-9-10-33-26(34-18-29)32-8-5-13-37-21-7-4-6-19(14-21)17-35-11-2-1-3-12-35/h4,6-7,14-16H,1-3,5,8-13,17,30H2,(H,31,36)(H2,32,33,34) | PDB
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| PC cid
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| 0.799 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Chimica Biomolecolare
Curated by ChEMBL
| Assay Description
Displacement of [3H]epibatidine from human alpha3beta4 nAChR expressed in HEK293 cell membranes |
Eur J Med Chem 152: 401-416 (2018)
Article DOI: 10.1016/j.ejmech.2018.04.026
BindingDB Entry DOI: 10.7270/Q2930WQM |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50602641
(VRT 043198 | Vrt 043198)Show SMILES CC(C)(C)[C@H](NC(=O)c1ccc(N)c(Cl)c1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C=O |r| | PDB
MMDB
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| PDB
Article
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| 0.800 | 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.2021.114002
BindingDB Entry DOI: 10.7270/Q2JH3R8K |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human)) | BDBM50406541
(CHEMBL4163257)Show SMILES FC(F)(F)c1ccc(Nc2ccc(cn2)N2CC3CC(C2)N3)cc1 |TLB:12:15:21:18| Show InChI InChI=1S/C17H17F3N4/c18-17(19,20)11-1-3-12(4-2-11)23-16-6-5-15(8-21-16)24-9-13-7-14(10-24)22-13/h1-6,8,13-14,22H,7,9-10H2,(H,21,23) | PDB
KEGG
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antibodypedia
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| PC cid
PC sid
UniChem
Similars
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| 0.818 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Chimica Biomolecolare
Curated by ChEMBL
| Assay Description
Displacement of [3H]epibatidine from human alpha3beta4 nAChR expressed in HEK293 cell membranes |
Eur J Med Chem 152: 401-416 (2018)
Article DOI: 10.1016/j.ejmech.2018.04.026
BindingDB Entry DOI: 10.7270/Q2930WQM |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50019754
(IDALOPIRDINE | LU-AE58054)Show SMILES FC(F)C(F)(F)COc1cccc(CNCCc2c[nH]c3cc(F)ccc23)c1 Show InChI InChI=1S/C20H19F5N2O/c21-15-4-5-17-14(11-27-18(17)9-15)6-7-26-10-13-2-1-3-16(8-13)28-12-20(24,25)19(22)23/h1-5,8-9,11,19,26-27H,6-7,10,12H2 | PDB
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| | 0.830 | 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 | |
Delta-type opioid receptor
(MOUSE) | BDBM50493718
(CHEMBL2436054)Show SMILES Oc1cccc(c1)C(N1C2CCC1C1CCC2N1CC=C)c1ccc(cc1)C(=O)NC1CCCCC1 |TLB:15:16:8:11.10,14:13:8:11.10,7:8:17:15.14,THB:11:12:17:15.14,10:9:17:15.14,18:17:8:11.10| Show InChI InChI=1S/C31H39N3O2/c1-2-19-33-26-15-16-27(33)29-18-17-28(26)34(29)30(23-7-6-10-25(35)20-23)21-11-13-22(14-12-21)31(36)32-24-8-4-3-5-9-24/h2,6-7,10-14,20,24,26-30,35H,1,3-5,8-9,15-19H2,(H,32,36) | PDB
Reactome pathway
KEGG
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| PC cid
PC sid
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| 0.833 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
C.N.R. Istituto di Farmacologia Traslazionale
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from mouse brain delta opioid receptor by scintillation counting analysis |
Eur J Med Chem 69: 413-26 (2013)
Article DOI: 10.1016/j.ejmech.2013.09.014
BindingDB Entry DOI: 10.7270/Q24M97GN |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50493716
(CHEMBL2436051)Show SMILES CN(C)C(=O)c1ccc(cc1)C(N1C2CCC1C1CCC2N1CC=C)c1cccc(O)c1 |TLB:19:20:12:15.14,18:17:12:15.14,11:12:21:19.18,THB:15:16:21:19.18,14:13:21:19.18,22:21:12:15.14| Show InChI InChI=1S/C27H33N3O2/c1-4-16-29-22-12-13-23(29)25-15-14-24(22)30(25)26(20-6-5-7-21(31)17-20)18-8-10-19(11-9-18)27(32)28(2)3/h4-11,17,22-26,31H,1,12-16H2,2-3H3 | PDB
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| 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 |
C.N.R. Istituto di Farmacologia Traslazionale
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from mouse brain delta opioid receptor by scintillation counting analysis |
Eur J Med Chem 69: 413-26 (2013)
Article DOI: 10.1016/j.ejmech.2013.09.014
BindingDB Entry DOI: 10.7270/Q24M97GN |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50406804
(CHEMBL4177192)Show SMILES Clc1ccc(cn1)N1CC2CCC(C1)N2 |TLB:4:7:14:10.11| Show InChI InChI=1S/C11H14ClN3/c12-11-4-3-10(5-13-11)15-6-8-1-2-9(7-15)14-8/h3-5,8-9,14H,1-2,6-7H2 | PDB
MMDB
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Reactome pathway
KEGG
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| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.950 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Chimica Biomolecolare
Curated by ChEMBL
| Assay Description
Agonist activity at alpha4beta2 nAChR (unknown origin) |
Eur J Med Chem 152: 401-416 (2018)
Article DOI: 10.1016/j.ejmech.2018.04.026
BindingDB Entry DOI: 10.7270/Q2930WQM |
More data for this
Ligand-Target Pair | |
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