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14 similar compounds to monomer 50387556

Compile data set for download or QSAR
Wt: 325.3
BDBM71197
Wt: 339.3
BDBM50203122
Purchase
Wt: 354.4
BDBM50206180
Wt: 385.4
BDBM50387555
Wt: 371.4
BDBM50387558
Wt: 341.4
BDBM50387561
Wt: 339.3
BDBM50387565
Wt: 355.4
BDBM50387566
Wt: 325.3
BDBM50424072
Wt: 325.3
BDBM50424073
Wt: 325.3
BDBM50429045
Wt: 339.3
BDBM50429047
Purchase
Wt: 339.3
BDBM50429049
Purchase
Wt: 325.3
BDBM50429056

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 65 hits for monomerid = 71197,50203122,50206180,50387555,50387558,50387561,50387565,50387566,50424072,50424073,50429045,50429047,50429049,50429056   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50387561
PNG
(CHEMBL2057455 | US9359372, DC037079)
Show SMILES COc1cc2C[C@@H]3N(CCc4cc(OC)c(O)cc34)Cc2c(OC)c1
Show InChI InChI=1S/C20H23NO4/c1-23-14-6-13-7-17-15-10-18(22)20(25-3)8-12(15)4-5-21(17)11-16(13)19(9-14)24-2/h6,8-10,17,22H,4-5,7,11H2,1-3H3/t17-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from dopamine D1 receptor (unknown origin) expressed in human HEK293 cells by liquid scintillation counter


Bioorg Med Chem 21: 856-68 (2013)


Article DOI: 10.1016/j.bmc.2012.12.016
BindingDB Entry DOI: 10.7270/Q2JD4Z4M
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50387561
PNG
(CHEMBL2057455 | US9359372, DC037079)
Show SMILES COc1cc2C[C@@H]3N(CCc4cc(OC)c(O)cc34)Cc2c(OC)c1
Show InChI InChI=1S/C20H23NO4/c1-23-14-6-13-7-17-15-10-18(22)20(25-3)8-12(15)4-5-21(17)11-16(13)19(9-14)24-2/h6,8-10,17,22H,4-5,7,11H2,1-3H3/t17-/m0/s1
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2.53n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human dopamine D1 receptor expressed in HEK293 cells


Bioorg Med Chem 20: 4862-71 (2012)


Article DOI: 10.1016/j.bmc.2012.05.057
BindingDB Entry DOI: 10.7270/Q28P61K9
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50387561
PNG
(CHEMBL2057455 | US9359372, DC037079)
Show SMILES COc1cc2C[C@@H]3N(CCc4cc(OC)c(O)cc34)Cc2c(OC)c1
Show InChI InChI=1S/C20H23NO4/c1-23-14-6-13-7-17-15-10-18(22)20(25-3)8-12(15)4-5-21(17)11-16(13)19(9-14)24-2/h6,8-10,17,22H,4-5,7,11H2,1-3H3/t17-/m0/s1
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US Patent
2.53 -11.9n/an/an/an/an/a7.430



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES

US Patent


Assay Description
The affinity of compounds to D1 and D2 dopamine receptors were determined by competition binding assays. Membrane homogenates of HEK293T cells were s...


US Patent US9359372 (2016)


BindingDB Entry DOI: 10.7270/Q2736PSP
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50387561
PNG
(CHEMBL2057455 | US9359372, DC037079)
Show SMILES COc1cc2C[C@@H]3N(CCc4cc(OC)c(O)cc34)Cc2c(OC)c1
Show InChI InChI=1S/C20H23NO4/c1-23-14-6-13-7-17-15-10-18(22)20(25-3)8-12(15)4-5-21(17)11-16(13)19(9-14)24-2/h6,8-10,17,22H,4-5,7,11H2,1-3H3/t17-/m0/s1
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US Patent
5.18 -11.5 9.85n/an/an/an/an/a30



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES

US Patent


Assay Description
Different concentrations (10^−5 M-10^−11 M) of the compound of the invention and corresponding isotope receptor ligand as well as recepto...


US Patent US9359372 (2016)


BindingDB Entry DOI: 10.7270/Q2736PSP
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50429045
PNG
(CHEMBL1457510)
Show SMILES COc1c(O)ccc2C[C@@H]3N(CCc4cc5OCOc5cc34)Cc12
Show InChI InChI=1S/C19H19NO4/c1-22-19-14-9-20-5-4-12-7-17-18(24-10-23-17)8-13(12)15(20)6-11(14)2-3-16(19)21/h2-3,7-8,15,21H,4-6,9-10H2,1H3/t15-/m0/s1
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6.30n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from dopamine D1 receptor (unknown origin) expressed in human HEK293 cells by liquid scintillation counter


Bioorg Med Chem 21: 856-68 (2013)


Article DOI: 10.1016/j.bmc.2012.12.016
BindingDB Entry DOI: 10.7270/Q2JD4Z4M
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM50429045
PNG
(CHEMBL1457510)
Show SMILES COc1c(O)ccc2C[C@@H]3N(CCc4cc5OCOc5cc34)Cc12
Show InChI InChI=1S/C19H19NO4/c1-22-19-14-9-20-5-4-12-7-17-18(24-10-23-17)8-13(12)15(20)6-11(14)2-3-16(19)21/h2-3,7-8,15,21H,4-6,9-10H2,1H3/t15-/m0/s1
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6.5n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human dopamine D1 receptor after 1 hr


Bioorg Med Chem Lett 27: 1437-1440 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.090
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50429045
PNG
(CHEMBL1457510)
Show SMILES COc1c(O)ccc2C[C@@H]3N(CCc4cc5OCOc5cc34)Cc12
Show InChI InChI=1S/C19H19NO4/c1-22-19-14-9-20-5-4-12-7-17-18(24-10-23-17)8-13(12)15(20)6-11(14)2-3-16(19)21/h2-3,7-8,15,21H,4-6,9-10H2,1H3/t15-/m0/s1
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15n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human dopamine D5 receptor after 1 hr


Bioorg Med Chem Lett 27: 1437-1440 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.090
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50387558
PNG
(CHEMBL2057456)
Show SMILES COc1cc2CCN3Cc4c(OC)cc(OC)c(CO)c4C[C@H]3c2cc1O
Show InChI InChI=1S/C21H25NO5/c1-25-19-9-20(26-2)16(11-23)14-7-17-13-8-18(24)21(27-3)6-12(13)4-5-22(17)10-15(14)19/h6,8-9,17,23-24H,4-5,7,10-11H2,1-3H3/t17-/m0/s1
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17n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from dopamine D1 receptor (unknown origin) expressed in human HEK293 cells by liquid scintillation counter


Bioorg Med Chem 21: 856-68 (2013)


Article DOI: 10.1016/j.bmc.2012.12.016
BindingDB Entry DOI: 10.7270/Q2JD4Z4M
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50387558
PNG
(CHEMBL2057456)
Show SMILES COc1cc2CCN3Cc4c(OC)cc(OC)c(CO)c4C[C@H]3c2cc1O
Show InChI InChI=1S/C21H25NO5/c1-25-19-9-20(26-2)16(11-23)14-7-17-13-8-18(24)21(27-3)6-12(13)4-5-22(17)10-15(14)19/h6,8-9,17,23-24H,4-5,7,10-11H2,1-3H3/t17-/m0/s1
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17.3n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human dopamine D1 receptor expressed in HEK293 cells


Bioorg Med Chem 20: 4862-71 (2012)


Article DOI: 10.1016/j.bmc.2012.05.057
BindingDB Entry DOI: 10.7270/Q28P61K9
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM50429047
PNG
((-)-Tetrahydroberberine | CANADINE)
Show SMILES COc1ccc2C[C@@H]3N(CCc4cc5OCOc5cc34)Cc2c1OC
Show InChI InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m0/s1
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49n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human dopamine D1 receptor after 1 hr


Bioorg Med Chem Lett 27: 1437-1440 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.090
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50429045
PNG
(CHEMBL1457510)
Show SMILES COc1c(O)ccc2C[C@@H]3N(CCc4cc5OCOc5cc34)Cc12
Show InChI InChI=1S/C19H19NO4/c1-22-19-14-9-20-5-4-12-7-17-18(24-10-23-17)8-13(12)15(20)6-11(14)2-3-16(19)21/h2-3,7-8,15,21H,4-6,9-10H2,1H3/t15-/m0/s1
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49n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D2 receptor after 1 hr


Bioorg Med Chem Lett 27: 1437-1440 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.090
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50424073
PNG
(CHEMBL2314732)
Show SMILES COc1ccc2C[C@@H]3N(CCc4cc5OCOc5cc34)Cc2c1O
Show InChI InChI=1S/C19H19NO4/c1-22-16-3-2-11-6-15-13-8-18-17(23-10-24-18)7-12(13)4-5-20(15)9-14(11)19(16)21/h2-3,7-8,15,21H,4-6,9-10H2,1H3/t15-/m0/s1
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60n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from dopamine D1 receptor (unknown origin) expressed in human HEK293 cells by liquid scintillation counter


Bioorg Med Chem 21: 856-68 (2013)


Article DOI: 10.1016/j.bmc.2012.12.016
BindingDB Entry DOI: 10.7270/Q2JD4Z4M
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50429047
PNG
((-)-Tetrahydroberberine | CANADINE)
Show SMILES COc1ccc2C[C@@H]3N(CCc4cc5OCOc5cc34)Cc2c1OC
Show InChI InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m0/s1
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KEGG
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62n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human dopamine D5 receptor after 1 hr


Bioorg Med Chem Lett 27: 1437-1440 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.090
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50387565
PNG
(CHEMBL2057443 | US9359372, DC037078)
Show SMILES COc1cc2C[C@@H]3N(CCc4cc5OCOc5cc34)Cc2c(OC)c1
Show InChI InChI=1S/C20H21NO4/c1-22-14-5-13-6-17-15-9-20-19(24-11-25-20)7-12(15)3-4-21(17)10-16(13)18(8-14)23-2/h5,7-9,17H,3-4,6,10-11H2,1-2H3/t17-/m0/s1
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US Patent
64.1 -9.97n/an/an/an/an/a7.430



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES

US Patent


Assay Description
The affinity of compounds to D1 and D2 dopamine receptors were determined by competition binding assays. Membrane homogenates of HEK293T cells were s...


US Patent US9359372 (2016)


BindingDB Entry DOI: 10.7270/Q2736PSP
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50387566
PNG
(CHEMBL2057441 | US9359372, DC037075)
Show SMILES COc1cc2C[C@@H]3N(CCc4cc(OC)c(OC)cc34)Cc2c(OC)c1
Show InChI InChI=1S/C21H25NO4/c1-23-15-7-14-8-18-16-11-21(26-4)20(25-3)9-13(16)5-6-22(18)12-17(14)19(10-15)24-2/h7,9-11,18H,5-6,8,12H2,1-4H3/t18-/m0/s1
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US Patent
64.1 -9.97 114n/an/an/an/an/a30



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES

US Patent


Assay Description
Different concentrations (10^−5 M-10^−11 M) of the compound of the invention and corresponding isotope receptor ligand as well as recepto...


US Patent US9359372 (2016)


BindingDB Entry DOI: 10.7270/Q2736PSP
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50387555
PNG
(CHEMBL2057442)
Show SMILES COc1cc2CCN3Cc4c(OC)cc(OC)c(CO)c4C[C@H]3c2cc1OC
Show InChI InChI=1S/C22H27NO5/c1-25-19-10-20(26-2)17(12-24)15-8-18-14-9-22(28-4)21(27-3)7-13(14)5-6-23(18)11-16(15)19/h7,9-10,18,24H,5-6,8,11-12H2,1-4H3/t18-/m0/s1
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64.1n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human dopamine D1 receptor expressed in HEK293 cells


Bioorg Med Chem 20: 4862-71 (2012)


Article DOI: 10.1016/j.bmc.2012.05.057
BindingDB Entry DOI: 10.7270/Q28P61K9
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50429047
PNG
((-)-Tetrahydroberberine | CANADINE)
Show SMILES COc1ccc2C[C@@H]3N(CCc4cc5OCOc5cc34)Cc2c1OC
Show InChI InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m0/s1
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66n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from dopamine D1 receptor (unknown origin) expressed in human HEK293 cells by liquid scintillation counter


Bioorg Med Chem 21: 856-68 (2013)


Article DOI: 10.1016/j.bmc.2012.12.016
BindingDB Entry DOI: 10.7270/Q2JD4Z4M
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50387565
PNG
(CHEMBL2057443 | US9359372, DC037078)
Show SMILES COc1cc2C[C@@H]3N(CCc4cc5OCOc5cc34)Cc2c(OC)c1
Show InChI InChI=1S/C20H21NO4/c1-22-14-5-13-6-17-15-9-20-19(24-11-25-20)7-12(15)3-4-21(17)10-16(13)18(8-14)23-2/h5,7-9,17H,3-4,6,10-11H2,1-2H3/t17-/m0/s1
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US Patent
74.5 -9.88 142n/an/an/an/an/a30



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES

US Patent


Assay Description
Different concentrations (10^−5 M-10^−11 M) of the compound of the invention and corresponding isotope receptor ligand as well as recepto...


US Patent US9359372 (2016)


BindingDB Entry DOI: 10.7270/Q2736PSP
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50387565
PNG
(CHEMBL2057443 | US9359372, DC037078)
Show SMILES COc1cc2C[C@@H]3N(CCc4cc5OCOc5cc34)Cc2c(OC)c1
Show InChI InChI=1S/C20H21NO4/c1-22-14-5-13-6-17-15-9-20-19(24-11-25-20)7-12(15)3-4-21(17)10-16(13)18(8-14)23-2/h5,7-9,17H,3-4,6,10-11H2,1-2H3/t17-/m0/s1
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74.5n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human dopamine D1 receptor expressed in HEK293 cells


Bioorg Med Chem 20: 4862-71 (2012)


Article DOI: 10.1016/j.bmc.2012.05.057
BindingDB Entry DOI: 10.7270/Q28P61K9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50429047
PNG
((-)-Tetrahydroberberine | CANADINE)
Show SMILES COc1ccc2C[C@@H]3N(CCc4cc5OCOc5cc34)Cc2c1OC
Show InChI InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m0/s1
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80n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D2 receptor after 1 hr


Bioorg Med Chem Lett 27: 1437-1440 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.090
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50429045
PNG
(CHEMBL1457510)
Show SMILES COc1c(O)ccc2C[C@@H]3N(CCc4cc5OCOc5cc34)Cc12
Show InChI InChI=1S/C19H19NO4/c1-22-19-14-9-20-5-4-12-7-17-18(24-10-23-17)8-13(12)15(20)6-11(14)2-3-16(19)21/h2-3,7-8,15,21H,4-6,9-10H2,1H3/t15-/m0/s1
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82n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D3 receptor after 1 hr


Bioorg Med Chem Lett 27: 1437-1440 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.090
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50387566
PNG
(CHEMBL2057441 | US9359372, DC037075)
Show SMILES COc1cc2C[C@@H]3N(CCc4cc(OC)c(OC)cc34)Cc2c(OC)c1
Show InChI InChI=1S/C21H25NO4/c1-23-15-7-14-8-18-16-11-21(26-4)20(25-3)9-13(16)5-6-22(18)12-17(14)19(10-15)24-2/h7,9-11,18H,5-6,8,12H2,1-4H3/t18-/m0/s1
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106n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human dopamine D1 receptor expressed in HEK293 cells


Bioorg Med Chem 20: 4862-71 (2012)


Article DOI: 10.1016/j.bmc.2012.05.057
BindingDB Entry DOI: 10.7270/Q28P61K9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50429047
PNG
((-)-Tetrahydroberberine | CANADINE)
Show SMILES COc1ccc2C[C@@H]3N(CCc4cc5OCOc5cc34)Cc2c1OC
Show InChI InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m0/s1
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119n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor (unknown origin) expressed in human HEK293 cells by liquid scintillation counter


Bioorg Med Chem 21: 856-68 (2013)


Article DOI: 10.1016/j.bmc.2012.12.016
BindingDB Entry DOI: 10.7270/Q2JD4Z4M
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50429045
PNG
(CHEMBL1457510)
Show SMILES COc1c(O)ccc2C[C@@H]3N(CCc4cc5OCOc5cc34)Cc12
Show InChI InChI=1S/C19H19NO4/c1-22-19-14-9-20-5-4-12-7-17-18(24-10-23-17)8-13(12)15(20)6-11(14)2-3-16(19)21/h2-3,7-8,15,21H,4-6,9-10H2,1H3/t15-/m0/s1
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145n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor (unknown origin) expressed in human HEK293 cells by liquid scintillation counter


Bioorg Med Chem 21: 856-68 (2013)


Article DOI: 10.1016/j.bmc.2012.12.016
BindingDB Entry DOI: 10.7270/Q2JD4Z4M
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50387558
PNG
(CHEMBL2057456)
Show SMILES COc1cc2CCN3Cc4c(OC)cc(OC)c(CO)c4C[C@H]3c2cc1O
Show InChI InChI=1S/C21H25NO5/c1-25-19-9-20(26-2)16(11-23)14-7-17-13-8-18(24)21(27-3)6-12(13)4-5-22(17)10-15(14)19/h6,8-9,17,23-24H,4-5,7,10-11H2,1-3H3/t17-/m0/s1
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147n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]Spiprone from human dopamine D2 receptor expressed in HEK293 cells


Bioorg Med Chem 20: 4862-71 (2012)


Article DOI: 10.1016/j.bmc.2012.05.057
BindingDB Entry DOI: 10.7270/Q28P61K9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50387558
PNG
(CHEMBL2057456)
Show SMILES COc1cc2CCN3Cc4c(OC)cc(OC)c(CO)c4C[C@H]3c2cc1O
Show InChI InChI=1S/C21H25NO5/c1-25-19-9-20(26-2)16(11-23)14-7-17-13-8-18(24)21(27-3)6-12(13)4-5-22(17)10-15(14)19/h6,8-9,17,23-24H,4-5,7,10-11H2,1-3H3/t17-/m0/s1
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147n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor (unknown origin) expressed in human HEK293 cells by liquid scintillation counter


Bioorg Med Chem 21: 856-68 (2013)


Article DOI: 10.1016/j.bmc.2012.12.016
BindingDB Entry DOI: 10.7270/Q2JD4Z4M
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50429047
PNG
((-)-Tetrahydroberberine | CANADINE)
Show SMILES COc1ccc2C[C@@H]3N(CCc4cc5OCOc5cc34)Cc2c1OC
Show InChI InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m0/s1
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433n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D3 receptor after 1 hr


Bioorg Med Chem Lett 27: 1437-1440 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.090
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50429047
PNG
((-)-Tetrahydroberberine | CANADINE)
Show SMILES COc1ccc2C[C@@H]3N(CCc4cc5OCOc5cc34)Cc2c1OC
Show InChI InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m0/s1
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486n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D4 receptor after 1 hr


Bioorg Med Chem Lett 27: 1437-1440 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.090
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50429056
PNG
(CHEMBL2334880)
Show SMILES COc1c(O)ccc2C[C@H]3N(CCc4cc5OCOc5cc34)Cc12
Show InChI InChI=1S/C19H19NO4/c1-22-19-14-9-20-5-4-12-7-17-18(24-10-23-17)8-13(12)15(20)6-11(14)2-3-16(19)21/h2-3,7-8,15,21H,4-6,9-10H2,1H3/t15-/m1/s1
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565n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from dopamine D1 receptor (unknown origin) expressed in human HEK293 cells by liquid scintillation counter


Bioorg Med Chem 21: 856-68 (2013)


Article DOI: 10.1016/j.bmc.2012.12.016
BindingDB Entry DOI: 10.7270/Q2JD4Z4M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50387555
PNG
(CHEMBL2057442)
Show SMILES COc1cc2CCN3Cc4c(OC)cc(OC)c(CO)c4C[C@H]3c2cc1OC
Show InChI InChI=1S/C22H27NO5/c1-25-19-10-20(26-2)17(12-24)15-8-18-14-9-22(28-4)21(27-3)7-13(14)5-6-23(18)11-16(15)19/h7,9-10,18,24H,5-6,8,11-12H2,1-4H3/t18-/m0/s1
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730n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5HT1A receptor expressed in HEK293 cells


Bioorg Med Chem 20: 4862-71 (2012)


Article DOI: 10.1016/j.bmc.2012.05.057
BindingDB Entry DOI: 10.7270/Q28P61K9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50387566
PNG
(CHEMBL2057441 | US9359372, DC037075)
Show SMILES COc1cc2C[C@@H]3N(CCc4cc(OC)c(OC)cc34)Cc2c(OC)c1
Show InChI InChI=1S/C21H25NO4/c1-23-15-7-14-8-18-16-11-21(26-4)20(25-3)9-13(16)5-6-22(18)12-17(14)19(10-15)24-2/h7,9-11,18H,5-6,8,12H2,1-4H3/t18-/m0/s1
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US Patent
730 -8.51 922n/an/an/an/an/a30



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES

US Patent


Assay Description
Different concentrations (10^−5 M-10^−11 M) of the compound of the invention and corresponding isotope receptor ligand as well as recepto...


US Patent US9359372 (2016)


BindingDB Entry DOI: 10.7270/Q2736PSP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50429045
PNG
(CHEMBL1457510)
Show SMILES COc1c(O)ccc2C[C@@H]3N(CCc4cc5OCOc5cc34)Cc12
Show InChI InChI=1S/C19H19NO4/c1-22-19-14-9-20-5-4-12-7-17-18(24-10-23-17)8-13(12)15(20)6-11(14)2-3-16(19)21/h2-3,7-8,15,21H,4-6,9-10H2,1H3/t15-/m0/s1
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908n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5-HT1A receptor (unknown origin) expressed in HEK293 cells by liquid scintillation counter


Bioorg Med Chem 21: 856-68 (2013)


Article DOI: 10.1016/j.bmc.2012.12.016
BindingDB Entry DOI: 10.7270/Q2JD4Z4M
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50203122
PNG
(5,8,13,13a-tetrahydro-9,10-dimethoxy-6H-benzo(g)-1...)
Show SMILES COc1ccc2CC3N(CCc4cc5OCOc5cc34)Cc2c1OC
Show InChI InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3
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1.12E+3n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [125I]-BE2254 from Wistar rat alpha1A adrenoceptor after 20 mins


J Med Chem 59: 9489-9502 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01217
BindingDB Entry DOI: 10.7270/Q2TB18VD
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50429045
PNG
(CHEMBL1457510)
Show SMILES COc1c(O)ccc2C[C@@H]3N(CCc4cc5OCOc5cc34)Cc12
Show InChI InChI=1S/C19H19NO4/c1-22-19-14-9-20-5-4-12-7-17-18(24-10-23-17)8-13(12)15(20)6-11(14)2-3-16(19)21/h2-3,7-8,15,21H,4-6,9-10H2,1H3/t15-/m0/s1
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1.98E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D4 receptor after 1 hr


Bioorg Med Chem Lett 27: 1437-1440 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.090
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50206180
PNG
(9,10-dimethoxy-7-methyl-5,8,13,13a-tetrahydro-6H-[...)
Show SMILES COc1ccc2CC3c4cc5OCOc5cc4CC[N+]3(C)Cc2c1OC
Show InChI InChI=1S/C21H24NO4/c1-22-7-6-14-9-19-20(26-12-25-19)10-15(14)17(22)8-13-4-5-18(23-2)21(24-3)16(13)11-22/h4-5,9-10,17H,6-8,11-12H2,1-3H3/q+1
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2.00E+3n/an/an/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from muscarinic M4 receptor


Bioorg Med Chem Lett 17: 2649-55 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.093
BindingDB Entry DOI: 10.7270/Q2WQ03F0
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50206180
PNG
(9,10-dimethoxy-7-methyl-5,8,13,13a-tetrahydro-6H-[...)
Show SMILES COc1ccc2CC3c4cc5OCOc5cc4CC[N+]3(C)Cc2c1OC
Show InChI InChI=1S/C21H24NO4/c1-22-7-6-14-9-19-20(26-12-25-19)10-15(14)17(22)8-13-4-5-18(23-2)21(24-3)16(13)11-22/h4-5,9-10,17H,6-8,11-12H2,1-3H3/q+1
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5.00E+3n/an/an/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Displacement of [3H]5CT from 5HT7 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2649-55 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.093
BindingDB Entry DOI: 10.7270/Q2WQ03F0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50424073
PNG
(CHEMBL2314732)
Show SMILES COc1ccc2C[C@@H]3N(CCc4cc5OCOc5cc34)Cc2c1O
Show InChI InChI=1S/C19H19NO4/c1-22-16-3-2-11-6-15-13-8-18-17(23-10-24-18)7-12(13)4-5-20(15)9-14(11)19(16)21/h2-3,7-8,15,21H,4-6,9-10H2,1H3/t15-/m0/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5-HT1A receptor (unknown origin) expressed in HEK293 cells by liquid scintillation counter


Bioorg Med Chem 21: 856-68 (2013)


Article DOI: 10.1016/j.bmc.2012.12.016
BindingDB Entry DOI: 10.7270/Q2JD4Z4M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50429047
PNG
((-)-Tetrahydroberberine | CANADINE)
Show SMILES COc1ccc2C[C@@H]3N(CCc4cc5OCOc5cc34)Cc2c1OC
Show InChI InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m0/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5-HT1A receptor (unknown origin) expressed in HEK293 cells by liquid scintillation counter


Bioorg Med Chem 21: 856-68 (2013)


Article DOI: 10.1016/j.bmc.2012.12.016
BindingDB Entry DOI: 10.7270/Q2JD4Z4M
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50424073
PNG
(CHEMBL2314732)
Show SMILES COc1ccc2C[C@@H]3N(CCc4cc5OCOc5cc34)Cc2c1O
Show InChI InChI=1S/C19H19NO4/c1-22-16-3-2-11-6-15-13-8-18-17(23-10-24-18)7-12(13)4-5-20(15)9-14(11)19(16)21/h2-3,7-8,15,21H,4-6,9-10H2,1H3/t15-/m0/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor (unknown origin) expressed in human HEK293 cells by liquid scintillation counter


Bioorg Med Chem 21: 856-68 (2013)


Article DOI: 10.1016/j.bmc.2012.12.016
BindingDB Entry DOI: 10.7270/Q2JD4Z4M
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50424072
PNG
(CHEMBL2314733 | R-(+)-Tetrahydroberberrubine)
Show SMILES COc1ccc2C[C@H]3N(CCc4cc5OCOc5cc34)Cc2c1O
Show InChI InChI=1S/C19H19NO4/c1-22-16-3-2-11-6-15-13-8-18-17(23-10-24-18)7-12(13)4-5-20(15)9-14(11)19(16)21/h2-3,7-8,15,21H,4-6,9-10H2,1H3/t15-/m1/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from dopamine D1 receptor (unknown origin) expressed in human HEK293 cells by liquid scintillation counter


Bioorg Med Chem 21: 856-68 (2013)


Article DOI: 10.1016/j.bmc.2012.12.016
BindingDB Entry DOI: 10.7270/Q2JD4Z4M
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50429049
PNG
((+)-Tetrahydroberberine | CHEMBL476501)
Show SMILES COc1ccc2C[C@H]3N(CCc4cc5OCOc5cc34)Cc2c1OC
Show InChI InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m1/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from dopamine D1 receptor (unknown origin) expressed in human HEK293 cells by liquid scintillation counter


Bioorg Med Chem 21: 856-68 (2013)


Article DOI: 10.1016/j.bmc.2012.12.016
BindingDB Entry DOI: 10.7270/Q2JD4Z4M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50387558
PNG
(CHEMBL2057456)
Show SMILES COc1cc2CCN3Cc4c(OC)cc(OC)c(CO)c4C[C@H]3c2cc1O
Show InChI InChI=1S/C21H25NO5/c1-25-19-9-20(26-2)16(11-23)14-7-17-13-8-18(24)21(27-3)6-12(13)4-5-22(17)10-15(14)19/h6,8-9,17,23-24H,4-5,7,10-11H2,1-3H3/t17-/m0/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5-HT1A receptor (unknown origin) expressed in HEK293 cells by liquid scintillation counter


Bioorg Med Chem 21: 856-68 (2013)


Article DOI: 10.1016/j.bmc.2012.12.016
BindingDB Entry DOI: 10.7270/Q2JD4Z4M
More data for this
Ligand-Target Pair
glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase


(Plasmodium falciparum 3D7)
BDBM71197
PNG
(Hydroberberubin | MLS000737546 | SMR000528559 | ci...)
Show SMILES COc1c(O)ccc2CC3N(CCc4cc5OCOc5cc34)Cc12
Show InChI InChI=1S/C19H19NO4/c1-22-19-14-9-20-5-4-12-7-17-18(24-10-23-17)8-13(12)15(20)6-11(14)2-3-16(19)21/h2-3,7-8,15,21H,4-6,9-10H2,1H3
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n/an/a 1.55E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2ZS2TZG
More data for this
Ligand-Target Pair
Glucose 6-phosphate dehydrogenase (G6PD)


(Homo sapiens (Human))
BDBM71197
PNG
(Hydroberberubin | MLS000737546 | SMR000528559 | ci...)
Show SMILES COc1c(O)ccc2CC3N(CCc4cc5OCOc5cc34)Cc12
Show InChI InChI=1S/C19H19NO4/c1-22-19-14-9-20-5-4-12-7-17-18(24-10-23-17)8-13(12)15(20)6-11(14)2-3-16(19)21/h2-3,7-8,15,21H,4-6,9-10H2,1H3
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n/an/a>8.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2V12389
More data for this
Ligand-Target Pair
glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase


(Plasmodium falciparum 3D7)
BDBM71197
PNG
(Hydroberberubin | MLS000737546 | SMR000528559 | ci...)
Show SMILES COc1c(O)ccc2CC3N(CCc4cc5OCOc5cc34)Cc12
Show InChI InChI=1S/C19H19NO4/c1-22-19-14-9-20-5-4-12-7-17-18(24-10-23-17)8-13(12)15(20)6-11(14)2-3-16(19)21/h2-3,7-8,15,21H,4-6,9-10H2,1H3
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n/an/a>8.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)


Article DOI: 10.1016/j.bioorg.2015.06.006
BindingDB Entry DOI: 10.7270/Q27H1H3W
More data for this
Ligand-Target Pair
glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase


(Plasmodium falciparum 3D7)
BDBM71197
PNG
(Hydroberberubin | MLS000737546 | SMR000528559 | ci...)
Show SMILES COc1c(O)ccc2CC3N(CCc4cc5OCOc5cc34)Cc12
Show InChI InChI=1S/C19H19NO4/c1-22-19-14-9-20-5-4-12-7-17-18(24-10-23-17)8-13(12)15(20)6-11(14)2-3-16(19)21/h2-3,7-8,15,21H,4-6,9-10H2,1H3
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n/an/a>8.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)


Article DOI: 10.1016/j.bioorg.2015.07.001
BindingDB Entry DOI: 10.7270/Q23T9FQ1
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50387561
PNG
(CHEMBL2057455 | US9359372, DC037079)
Show SMILES COc1cc2C[C@@H]3N(CCc4cc(OC)c(O)cc34)Cc2c(OC)c1
Show InChI InChI=1S/C20H23NO4/c1-23-14-6-13-7-17-15-10-18(22)20(25-3)8-12(15)4-5-21(17)11-16(13)19(9-14)24-2/h6,8-10,17,22H,4-5,7,11H2,1-3H3/t17-/m0/s1
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US Patent
n/an/a 1.40E+3n/an/an/an/a7.5n/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES

US Patent


Assay Description
For detecting the agonism action of the compounds, the [35S]GTPγS binding assay was performed at 30 C. for 40 mins in reaction buffer containin...


US Patent US9359372 (2016)


BindingDB Entry DOI: 10.7270/Q2736PSP
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50429047
PNG
((-)-Tetrahydroberberine | CANADINE)
Show SMILES COc1ccc2C[C@@H]3N(CCc4cc5OCOc5cc34)Cc2c1OC
Show InChI InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m0/s1
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n/an/a 5.40E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human full-length N-terminal SNAP-tagged alpha1A adrenoceptor expressed in HEK293 cells assessed as inhibition of agonist-indu...


J Med Chem 59: 9489-9502 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01217
BindingDB Entry DOI: 10.7270/Q2TB18VD
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens (Human))
BDBM50424072
PNG
(CHEMBL2314733 | R-(+)-Tetrahydroberberrubine)
Show SMILES COc1ccc2C[C@H]3N(CCc4cc5OCOc5cc34)Cc2c1O
Show InChI InChI=1S/C19H19NO4/c1-22-16-3-2-11-6-15-13-8-18-17(23-10-24-18)7-12(13)4-5-20(15)9-14(11)19(16)21/h2-3,7-8,15,21H,4-6,9-10H2,1H3/t15-/m1/s1
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n/an/a 6.80n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of tissue factor procoagulant activity in LPS-stimulated human THP1 cells preincubated for 1 hr before LPS addition measured after 5 hrs


Bioorg Med Chem 21: 62-9 (2012)


Article DOI: 10.1016/j.bmc.2012.11.002
BindingDB Entry DOI: 10.7270/Q2M32X22
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens (Human))
BDBM50424073
PNG
(CHEMBL2314732)
Show SMILES COc1ccc2C[C@@H]3N(CCc4cc5OCOc5cc34)Cc2c1O
Show InChI InChI=1S/C19H19NO4/c1-22-16-3-2-11-6-15-13-8-18-17(23-10-24-18)7-12(13)4-5-20(15)9-14(11)19(16)21/h2-3,7-8,15,21H,4-6,9-10H2,1H3/t15-/m0/s1
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n/an/a 36n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of tissue factor procoagulant activity in LPS-stimulated human THP1 cells preincubated for 1 hr before LPS addition measured after 5 hrs


Bioorg Med Chem 21: 62-9 (2012)


Article DOI: 10.1016/j.bmc.2012.11.002
BindingDB Entry DOI: 10.7270/Q2M32X22
More data for this
Ligand-Target Pair
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