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Compile Data Set for Download or QSAR

Found 4 hits of ki for monomerid = 50129749   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))
BDBM50129749
PNG
(18-methoxycoronaridine)
Show SMILES COCC[C@H]1CC2CN3CCc4c([nH]c5ccccc45)[C@](C2)(C13)C(=O)OC |TLB:13:12:22:21.7.6,3:4:20.21:8.7,23:20:8.7:4.5,19:11:22:21.7.6,4:22:21.7.6:12.11.10.9,9:8:20.21:4.5,THB:12:20:8.7:4.5,5:6:22:12.11.10.9|
Show InChI InChI=1S/C22H28N2O3/c1-26-10-8-15-11-14-12-22(21(25)27-2)19-17(7-9-24(13-14)20(15)22)16-5-3-4-6-18(16)23-19/h3-6,14-15,20,23H,7-13H2,1-2H3/t14?,15-,20?,22+/m0/s1
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Article
PubMed
700n/an/an/an/an/an/an/an/a



University of Vermont

Curated by ChEMBL


Assay Description
Binding affinity towards Nicotinic acetylcholine receptor alpha3-beta4 determined from kinetic measures of koff/kon


J Med Chem 46: 2716-30 (2003)


Article DOI: 10.1021/jm020562o
BindingDB Entry DOI: 10.7270/Q23X87CQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50129749
PNG
(18-methoxycoronaridine)
Show SMILES COCC[C@H]1CC2CN3CCc4c([nH]c5ccccc45)[C@](C2)(C13)C(=O)OC |TLB:13:12:22:21.7.6,3:4:20.21:8.7,23:20:8.7:4.5,19:11:22:21.7.6,4:22:21.7.6:12.11.10.9,9:8:20.21:4.5,THB:12:20:8.7:4.5,5:6:22:12.11.10.9|
Show InChI InChI=1S/C22H28N2O3/c1-26-10-8-15-11-14-12-22(21(25)27-2)19-17(7-9-24(13-14)20(15)22)16-5-3-4-6-18(16)23-19/h3-6,14-15,20,23H,7-13H2,1-2H3/t14?,15-,20?,22+/m0/s1
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UniChem

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Article
PubMed
1.10E+3n/an/an/an/an/an/an/an/a



University of Vermont

Curated by ChEMBL


Assay Description
Binding affinity was determined against Opioid receptor mu 1 from guinea pig brain membranes


J Med Chem 46: 2716-30 (2003)


Article DOI: 10.1021/jm020562o
BindingDB Entry DOI: 10.7270/Q23X87CQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50129749
PNG
(18-methoxycoronaridine)
Show SMILES COCC[C@H]1CC2CN3CCc4c([nH]c5ccccc45)[C@](C2)(C13)C(=O)OC |TLB:13:12:22:21.7.6,3:4:20.21:8.7,23:20:8.7:4.5,19:11:22:21.7.6,4:22:21.7.6:12.11.10.9,9:8:20.21:4.5,THB:12:20:8.7:4.5,5:6:22:12.11.10.9|
Show InChI InChI=1S/C22H28N2O3/c1-26-10-8-15-11-14-12-22(21(25)27-2)19-17(7-9-24(13-14)20(15)22)16-5-3-4-6-18(16)23-19/h3-6,14-15,20,23H,7-13H2,1-2H3/t14?,15-,20?,22+/m0/s1
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Article
PubMed
3.50E+3n/an/an/an/an/an/an/an/a



University of Vermont

Curated by ChEMBL


Assay Description
Binding affinity was determined against Opioid receptor delta 1 from guinea pig brain membranes


J Med Chem 46: 2716-30 (2003)


Article DOI: 10.1021/jm020562o
BindingDB Entry DOI: 10.7270/Q23X87CQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50129749
PNG
(18-methoxycoronaridine)
Show SMILES COCC[C@H]1CC2CN3CCc4c([nH]c5ccccc45)[C@](C2)(C13)C(=O)OC |TLB:13:12:22:21.7.6,3:4:20.21:8.7,23:20:8.7:4.5,19:11:22:21.7.6,4:22:21.7.6:12.11.10.9,9:8:20.21:4.5,THB:12:20:8.7:4.5,5:6:22:12.11.10.9|
Show InChI InChI=1S/C22H28N2O3/c1-26-10-8-15-11-14-12-22(21(25)27-2)19-17(7-9-24(13-14)20(15)22)16-5-3-4-6-18(16)23-19/h3-6,14-15,20,23H,7-13H2,1-2H3/t14?,15-,20?,22+/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
5.10E+3n/an/an/an/an/an/an/an/a



University of Vermont

Curated by ChEMBL


Assay Description
Binding affinity was determined against Opioid receptor kappa 1 from guinea pig brain membranes


J Med Chem 46: 2716-30 (2003)


Article DOI: 10.1021/jm020562o
BindingDB Entry DOI: 10.7270/Q23X87CQ
More data for this
Ligand-Target Pair