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Compile Data Set for Download or QSAR

Found 10 hits of ic50 for monomerid = 50202318   
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
D(1A) dopamine receptor


(RAT)
BDBM50202318
PNG
((+)-boldine | (S)-(+)-Boldine | (S)-1,10-dimethoxy...)
Show SMILES COc1cc-2c(C[C@@H]3N(C)CCc4cc(O)c(OC)c-2c34)cc1O |r|
Show InChI InChI=1S/C19H21NO4/c1-20-5-4-10-7-15(22)19(24-3)18-12-9-16(23-2)14(21)8-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1
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PubMed
n/an/a 400n/an/an/an/an/an/a



Universidad de Chile

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from dopamine D1 receptor in Wistar rat striatal membrane


J Nat Prod 63: 480-4 (2000)


BindingDB Entry DOI: 10.7270/Q2Z037W0
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50202318
PNG
((+)-boldine | (S)-(+)-Boldine | (S)-1,10-dimethoxy...)
Show SMILES COc1cc-2c(C[C@@H]3N(C)CCc4cc(O)c(OC)c-2c34)cc1O |r|
Show InChI InChI=1S/C19H21NO4/c1-20-5-4-10-7-15(22)19(24-3)18-12-9-16(23-2)14(21)8-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1
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PubMed
n/an/a 400n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH-23390 from rat dopamine D1 receptor


J Med Chem 50: 171-81 (2007)


Article DOI: 10.1021/jm060959i
BindingDB Entry DOI: 10.7270/Q22J6CPJ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50202318
PNG
((+)-boldine | (S)-(+)-Boldine | (S)-1,10-dimethoxy...)
Show SMILES COc1cc-2c(C[C@@H]3N(C)CCc4cc(O)c(OC)c-2c34)cc1O |r|
Show InChI InChI=1S/C19H21NO4/c1-20-5-4-10-7-15(22)19(24-3)18-12-9-16(23-2)14(21)8-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1
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n/an/a 500n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]raclopride from rat dopamine D2 receptor


J Med Chem 50: 171-81 (2007)


Article DOI: 10.1021/jm060959i
BindingDB Entry DOI: 10.7270/Q22J6CPJ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50202318
PNG
((+)-boldine | (S)-(+)-Boldine | (S)-1,10-dimethoxy...)
Show SMILES COc1cc-2c(C[C@@H]3N(C)CCc4cc(O)c(OC)c-2c34)cc1O |r|
Show InChI InChI=1S/C19H21NO4/c1-20-5-4-10-7-15(22)19(24-3)18-12-9-16(23-2)14(21)8-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1
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n/an/a 520n/an/an/an/an/an/a



Universidad de Chile

Curated by ChEMBL


Assay Description
Displacement of [3H]raclopride from dopamine D2 receptor in Wistar rat striatal membrane


J Nat Prod 63: 480-4 (2000)


BindingDB Entry DOI: 10.7270/Q2Z037W0
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha 3


(Homo sapiens)
BDBM50202318
PNG
((+)-boldine | (S)-(+)-Boldine | (S)-1,10-dimethoxy...)
Show SMILES COc1cc-2c(C[C@@H]3N(C)CCc4cc(O)c(OC)c-2c34)cc1O |r|
Show InChI InChI=1S/C19H21NO4/c1-20-5-4-10-7-15(22)19(24-3)18-12-9-16(23-2)14(21)8-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1
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n/an/a 700n/an/an/an/an/an/a



University of Padua and Institute of Biomolecular Chemistry

Curated by ChEMBL


Assay Description
Inhibition of CK2 (unknown origin)


J Nat Prod 82: 1014-1018 (2019)


Article DOI: 10.1021/acs.jnatprod.8b00889
BindingDB Entry DOI: 10.7270/Q269773G
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50202318
PNG
((+)-boldine | (S)-(+)-Boldine | (S)-1,10-dimethoxy...)
Show SMILES COc1cc-2c(C[C@@H]3N(C)CCc4cc(O)c(OC)c-2c34)cc1O |r|
Show InChI InChI=1S/C19H21NO4/c1-20-5-4-10-7-15(22)19(24-3)18-12-9-16(23-2)14(21)8-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1
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PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in SH-EP1 cells


Bioorg Med Chem 15: 3368-72 (2007)


Article DOI: 10.1016/j.bmc.2007.03.023
BindingDB Entry DOI: 10.7270/Q2G73DDV
More data for this
Ligand-Target Pair
Mitochondrial peptide methionine sulfoxide reductase


(Bos taurus)
BDBM50202318
PNG
((+)-boldine | (S)-(+)-Boldine | (S)-1,10-dimethoxy...)
Show SMILES COc1cc-2c(C[C@@H]3N(C)CCc4cc(O)c(OC)c-2c34)cc1O |r|
Show InChI InChI=1S/C19H21NO4/c1-20-5-4-10-7-15(22)19(24-3)18-12-9-16(23-2)14(21)8-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1
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PCBioAssay
n/an/a 4.78E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2639NCQ
More data for this
Ligand-Target Pair
Mitochondrial peptide methionine sulfoxide reductase


(Bos taurus)
BDBM50202318
PNG
((+)-boldine | (S)-(+)-Boldine | (S)-1,10-dimethoxy...)
Show SMILES COc1cc-2c(C[C@@H]3N(C)CCc4cc(O)c(OC)c-2c34)cc1O |r|
Show InChI InChI=1S/C19H21NO4/c1-20-5-4-10-7-15(22)19(24-3)18-12-9-16(23-2)14(21)8-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1
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n/an/a 5.39E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2639NCQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50202318
PNG
((+)-boldine | (S)-(+)-Boldine | (S)-1,10-dimethoxy...)
Show SMILES COc1cc-2c(C[C@@H]3N(C)CCc4cc(O)c(OC)c-2c34)cc1O |r|
Show InChI InChI=1S/C19H21NO4/c1-20-5-4-10-7-15(22)19(24-3)18-12-9-16(23-2)14(21)8-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1
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Article
PubMed
n/an/a 8.10E+4n/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from human alpha7 nAChR expressed in SH-SY5Y cells


Bioorg Med Chem 15: 3368-72 (2007)


Article DOI: 10.1016/j.bmc.2007.03.023
BindingDB Entry DOI: 10.7270/Q2G73DDV
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50202318
PNG
((+)-boldine | (S)-(+)-Boldine | (S)-1,10-dimethoxy...)
Show SMILES COc1cc-2c(C[C@@H]3N(C)CCc4cc(O)c(OC)c-2c34)cc1O |r|
Show InChI InChI=1S/C19H21NO4/c1-20-5-4-10-7-15(22)19(24-3)18-12-9-16(23-2)14(21)8-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1
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n/an/a>6.10E+5n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Inhibition of HIV1 RT


J Nat Prod 54: 143-54


Article DOI: 10.1021/np50073a012
BindingDB Entry DOI: 10.7270/Q2NK3HTG
More data for this
Ligand-Target Pair