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Patent code US9359372

Compile Data Set for Download or QSAR
Found 60 hits of Enzyme Inhibition Constant Data   
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(2) dopamine receptor


(Homo sapiens (Human))
BDBM21397
PNG
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
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0.5n/a 2.56n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM86180
PNG
(CAS_87075-17-0 | NSC_5018 | SCH 23390 | SCH23390 |...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2C(C1)c1ccccc1
Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3
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1.24n/a 2.52n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 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



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...


Citation and Details
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM21397
PNG
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
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2.94n/a 5.67n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM235778
PNG
(US9359372, DC037030)
Show SMILES COc1cc2CCN3Cc4c(OC)ccc(OC)c4C[C@H]3c2cc1O
Show InChI InChI=1S/C20H23NO4/c1-23-18-4-5-19(24-2)15-11-21-7-6-12-8-20(25-3)17(22)10-13(12)16(21)9-14(15)18/h4-5,8,10,16,22H,6-7,9,11H2,1-3H3/t16-/m0/s1
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3.70n/a 7.22n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM235778
PNG
(US9359372, DC037030)
Show SMILES COc1cc2CCN3Cc4c(OC)ccc(OC)c4C[C@H]3c2cc1O
Show InChI InChI=1S/C20H23NO4/c1-23-18-4-5-19(24-2)15-11-21-7-6-12-8-20(25-3)17(22)10-13(12)16(21)9-14(15)18/h4-5,8,10,16,22H,6-7,9,11H2,1-3H3/t16-/m0/s1
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3.70n/an/an/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM50429044
PNG
(CHEMBL2334893 | US9359372, DC037029)
Show SMILES COc1cc2CCN3Cc4cc5OCOc5cc4C[C@H]3c2cc1O
Show InChI InChI=1S/C19H19NO4/c1-22-17-5-11-2-3-20-9-13-7-19-18(23-10-24-19)6-12(13)4-15(20)14(11)8-16(17)21/h5-8,15,21H,2-4,9-10H2,1H3/t15-/m0/s1
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4.20n/a 8.19n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 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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5.18n/a 9.85n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM235782
PNG
(US9359372, DC037035)
Show SMILES COc1ccc(OC)c2CN3CCc4cc(O)c(O)cc4[C@@H]3Cc12
Show InChI InChI=1S/C19H21NO4/c1-23-18-3-4-19(24-2)14-10-20-6-5-11-7-16(21)17(22)9-12(11)15(20)8-13(14)18/h3-4,7,9,15,21-22H,5-6,8,10H2,1-2H3/t15-/m0/s1
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6.72n/a 13.3n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM235782
PNG
(US9359372, DC037035)
Show SMILES COc1ccc(OC)c2CN3CCc4cc(O)c(O)cc4[C@@H]3Cc12
Show InChI InChI=1S/C19H21NO4/c1-23-18-3-4-19(24-2)14-10-20-6-5-11-7-16(21)17(22)9-12(11)15(20)8-13(14)18/h3-4,7,9,15,21-22H,5-6,8,10H2,1-2H3/t15-/m0/s1
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6.72n/an/an/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM50429052
PNG
(CHEMBL2334881 | US9359372, DC037082)
Show SMILES COc1c(O)ccc2C[C@@H]3N(CCc4cc5OCCOc5cc34)Cc12
Show InChI InChI=1S/C20H21NO4/c1-23-20-15-11-21-5-4-13-9-18-19(25-7-6-24-18)10-14(13)16(21)8-12(15)2-3-17(20)22/h2-3,9-10,16,22H,4-8,11H2,1H3/t16-/m0/s1
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7.51n/a 14.7n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM50429046
PNG
(CHEMBL2334882 | US9359372, DC037081)
Show SMILES COc1c(O)ccc2C[C@@H]3N(CCc4cc5CCOc5cc34)Cc12
Show InChI InChI=1S/C20H21NO3/c1-23-20-16-11-21-6-4-13-8-14-5-7-24-19(14)10-15(13)17(21)9-12(16)2-3-18(20)22/h2-3,8,10,17,22H,4-7,9,11H2,1H3/t17-/m0/s1
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17.3n/an/an/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM235777
PNG
(US9359372, DC037013 | US9359372, DC037034)
Show SMILES COc1ccc(OC)c2CN3CCc4cc5OCOc5cc4[C@@H]3Cc12
Show InChI InChI=1S/C20H21NO4/c1-22-17-3-4-18(23-2)15-10-21-6-5-12-7-19-20(25-11-24-19)9-13(12)16(21)8-14(15)17/h3-4,7,9,16H,5-6,8,10-11H2,1-2H3/t16-/m0/s1
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23.6n/a 47.9n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM235777
PNG
(US9359372, DC037013 | US9359372, DC037034)
Show SMILES COc1ccc(OC)c2CN3CCc4cc5OCOc5cc4[C@@H]3Cc12
Show InChI InChI=1S/C20H21NO4/c1-22-17-3-4-18(23-2)15-10-21-6-5-12-7-19-20(25-11-24-19)9-13(12)16(21)8-14(15)17/h3-4,7,9,16H,5-6,8,10-11H2,1-2H3/t16-/m0/s1
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23.6n/an/an/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM235779
PNG
(US9359372, DC037032)
Show SMILES COc1ccc(OC)c2CN3CCc4cc5OCCOc5cc4[C@@H]3Cc12
Show InChI InChI=1S/C21H23NO4/c1-23-18-3-4-19(24-2)16-12-22-6-5-13-9-20-21(26-8-7-25-20)11-14(13)17(22)10-15(16)18/h3-4,9,11,17H,5-8,10,12H2,1-2H3/t17-/m0/s1
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25.3n/a 49.2n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM50387557
PNG
(CHEMBL2057457 | US9359372, DC037031)
Show SMILES COc1cc2CCN3Cc4c(C)cc(C)cc4C[C@H]3c2cc1O
Show InChI InChI=1S/C20H23NO2/c1-12-6-13(2)17-11-21-5-4-14-9-20(23-3)19(22)10-16(14)18(21)8-15(17)7-12/h6-7,9-10,18,22H,4-5,8,11H2,1-3H3/t18-/m0/s1
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28.9n/a 56.4n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM50387557
PNG
(CHEMBL2057457 | US9359372, DC037031)
Show SMILES COc1cc2CCN3Cc4c(C)cc(C)cc4C[C@H]3c2cc1O
Show InChI InChI=1S/C20H23NO2/c1-12-6-13(2)17-11-21-5-4-14-9-20(23-3)19(22)10-16(14)18(21)8-15(17)7-12/h6-7,9-10,18,22H,4-5,8,11H2,1-3H3/t18-/m0/s1
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28.9n/an/an/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50429044
PNG
(CHEMBL2334893 | US9359372, DC037029)
Show SMILES COc1cc2CCN3Cc4cc5OCOc5cc4C[C@H]3c2cc1O
Show InChI InChI=1S/C19H19NO4/c1-22-17-5-11-2-3-20-9-13-7-19-18(23-10-24-19)6-12(13)4-15(20)14(11)8-16(17)21/h5-8,15,21H,2-4,9-10H2,1H3/t15-/m0/s1
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32.2n/a 91.1n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM235779
PNG
(US9359372, DC037032)
Show SMILES COc1ccc(OC)c2CN3CCc4cc5OCCOc5cc4[C@@H]3Cc12
Show InChI InChI=1S/C21H23NO4/c1-23-18-3-4-19(24-2)16-12-22-6-5-13-9-20-21(26-8-7-25-20)11-14(13)17(22)10-15(16)18/h3-4,9,11,17H,5-8,10,12H2,1-2H3/t17-/m0/s1
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40.6n/a 51.5n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM235773
PNG
(US9359372, DC037008)
Show SMILES COc1ccc(OC)c2CN3CCc4cc(OC)c(OC)cc4[C@@H]3Cc12
Show InChI InChI=1S/C21H25NO4/c1-23-18-5-6-19(24-2)16-12-22-8-7-13-9-20(25-3)21(26-4)11-14(13)17(22)10-15(16)18/h5-6,9,11,17H,7-8,10,12H2,1-4H3/t17-/m0/s1
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50.1n/a 101n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 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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64.1n/a 114n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 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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64.1n/an/an/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 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/a 142n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM235767
PNG
(US9359372, DC037076)
Show SMILES COc1cc2CCN3Cc4c(OC)cc(OC)c(OC)c4CC3c2cc1OC
Show InChI InChI=1S/C22H27NO5/c1-24-18-11-21(27-4)22(28-5)15-9-17-14-10-20(26-3)19(25-2)8-13(14)6-7-23(17)12-16(15)18/h8,10-11,17H,6-7,9,12H2,1-5H3
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74.5n/an/an/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50429046
PNG
(CHEMBL2334882 | US9359372, DC037081)
Show SMILES COc1c(O)ccc2C[C@@H]3N(CCc4cc5CCOc5cc34)Cc12
Show InChI InChI=1S/C20H21NO3/c1-23-20-16-11-21-6-4-13-8-14-5-7-24-19(14)10-15(13)17(21)9-12(16)2-3-18(20)22/h2-3,8,10,17,22H,4-7,9,11H2,1H3/t17-/m0/s1
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147n/an/an/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM235775
PNG
(US9359372, DC037012)
Show SMILES C1Oc2cc3C[C@@H]4N(CCc5cc6OCOc6cc45)Cc3cc2O1
Show InChI InChI=1S/C19H17NO4/c1-2-20-8-13-6-18-17(22-9-23-18)5-12(13)3-15(20)14-7-19-16(4-11(1)14)21-10-24-19/h4-7,15H,1-3,8-10H2/t15-/m0/s1
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148n/a 300n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50387557
PNG
(CHEMBL2057457 | US9359372, DC037031)
Show SMILES COc1cc2CCN3Cc4c(C)cc(C)cc4C[C@H]3c2cc1O
Show InChI InChI=1S/C20H23NO2/c1-12-6-13(2)17-11-21-5-4-14-9-20(23-3)19(22)10-16(14)18(21)8-15(17)7-12/h6-7,9-10,18,22H,4-5,8,11H2,1-3H3/t18-/m0/s1
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161n/an/an/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50387557
PNG
(CHEMBL2057457 | US9359372, DC037031)
Show SMILES COc1cc2CCN3Cc4c(C)cc(C)cc4C[C@H]3c2cc1O
Show InChI InChI=1S/C20H23NO2/c1-12-6-13(2)17-11-21-5-4-14-9-20(23-3)19(22)10-16(14)18(21)8-15(17)7-12/h6-7,9-10,18,22H,4-5,8,11H2,1-3H3/t18-/m0/s1
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161n/a 456n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM50387556
PNG
(CHEMBL2057438 | US9359372, DC037077)
Show SMILES COc1cc(OC)c2CN3CCc4cc5OCOc5cc4[C@@H]3Cc2c1CO
Show InChI InChI=1S/C21H23NO5/c1-24-18-8-19(25-2)16(10-23)14-6-17-13-7-21-20(26-11-27-21)5-12(13)3-4-22(17)9-15(14)18/h5,7-8,17,23H,3-4,6,9-11H2,1-2H3/t17-/m0/s1
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182n/a 324n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM235780
PNG
(US9359372, DC037033)
Show SMILES Cc1ccc(C)c2CN3CCc4cc5OCOc5cc4[C@@H]3Cc12
Show InChI InChI=1S/C20H21NO2/c1-12-3-4-13(2)17-10-21-6-5-14-7-19-20(23-11-22-19)9-16(14)18(21)8-15(12)17/h3-4,7,9,18H,5-6,8,10-11H2,1-2H3/t18-/m0/s1
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208n/a 416n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50387560
PNG
(CHEMBL2057451 | US9359372, DC037017)
Show SMILES COc1cc2CCN3Cc4c(C)cc(C)cc4C[C@H]3c2cc1OC
Show InChI InChI=1S/C21H25NO2/c1-13-7-14(2)18-12-22-6-5-15-10-20(23-3)21(24-4)11-17(15)19(22)9-16(18)8-13/h7-8,10-11,19H,5-6,9,12H2,1-4H3/t19-/m0/s1
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224n/a 1.16E+3n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM235775
PNG
(US9359372, DC037012)
Show SMILES C1Oc2cc3C[C@@H]4N(CCc5cc6OCOc6cc45)Cc3cc2O1
Show InChI InChI=1S/C19H17NO4/c1-2-20-8-13-6-18-17(22-9-23-18)5-12(13)3-15(20)14-7-19-16(4-11(1)14)21-10-24-19/h4-7,15H,1-3,8-10H2/t15-/m0/s1
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240n/a 1.24E+3n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM235768
PNG
(US9359372, DC037003)
Show SMILES COc1ccc(OC)c2CN3CCc4cc(OC)c(OC)cc4C3Cc12
Show InChI InChI=1S/C21H25NO4/c1-23-18-5-6-19(24-2)16-12-22-8-7-13-9-20(25-3)21(26-4)11-14(13)17(22)10-15(16)18/h5-6,9,11,17H,7-8,10,12H2,1-4H3
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247n/a 370n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM235777
PNG
(US9359372, DC037013 | US9359372, DC037034)
Show SMILES COc1ccc(OC)c2CN3CCc4cc5OCOc5cc4[C@@H]3Cc12
Show InChI InChI=1S/C20H21NO4/c1-22-17-3-4-18(23-2)15-10-21-6-5-12-7-19-20(25-11-24-19)9-13(12)16(21)8-14(15)17/h3-4,7,9,16H,5-6,8,10-11H2,1-2H3/t16-/m0/s1
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248n/a 484n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM235769
PNG
(US9359372, DC037006)
Show SMILES COc1cc2CCN3Cc4c(C[C@H]3c2cc1OC)cc(OC)c(OC)c4OC
Show InChI InChI=1S/C22H27NO5/c1-24-18-9-13-6-7-23-12-16-14(8-17(23)15(13)11-19(18)25-2)10-20(26-3)22(28-5)21(16)27-4/h9-11,17H,6-8,12H2,1-5H3/t17-/m0/s1
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320n/a 648n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM235773
PNG
(US9359372, DC037008)
Show SMILES COc1ccc(OC)c2CN3CCc4cc(OC)c(OC)cc4[C@@H]3Cc12
Show InChI InChI=1S/C21H25NO4/c1-23-18-5-6-19(24-2)16-12-22-8-7-13-9-20(25-3)21(26-4)11-14(13)17(22)10-15(16)18/h5-6,9,11,17H,7-8,10,12H2,1-4H3/t17-/m0/s1
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334n/a 1.73E+3n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM50387560
PNG
(CHEMBL2057451 | US9359372, DC037017)
Show SMILES COc1cc2CCN3Cc4c(C)cc(C)cc4C[C@H]3c2cc1OC
Show InChI InChI=1S/C21H25NO2/c1-13-7-14(2)18-12-22-6-5-15-10-20(23-3)21(24-4)11-17(15)19(22)9-16(18)8-13/h7-8,10-11,19H,5-6,9,12H2,1-4H3/t19-/m0/s1
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338n/a 684n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM235770
PNG
(US9359372, DC037016)
Show SMILES COc1cc2C[C@@H]3N(CCc4cc5OCOc5cc34)Cc2c(OC)c1OC
Show InChI InChI=1S/C21H23NO5/c1-23-19-8-13-6-16-14-9-18-17(26-11-27-18)7-12(14)4-5-22(16)10-15(13)20(24-2)21(19)25-3/h7-9,16H,4-6,10-11H2,1-3H3/t16-/m0/s1
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377n/a 763n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM235777
PNG
(US9359372, DC037013 | US9359372, DC037034)
Show SMILES COc1ccc(OC)c2CN3CCc4cc5OCOc5cc4[C@@H]3Cc12
Show InChI InChI=1S/C20H21NO4/c1-22-17-3-4-18(23-2)15-10-21-6-5-12-7-19-20(25-11-24-19)9-13(12)16(21)8-14(15)17/h3-4,7,9,16H,5-6,8,10-11H2,1-2H3/t16-/m0/s1
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485n/a 2.51E+3n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM235778
PNG
(US9359372, DC037030)
Show SMILES COc1cc2CCN3Cc4c(OC)ccc(OC)c4C[C@H]3c2cc1O
Show InChI InChI=1S/C20H23NO4/c1-23-18-4-5-19(24-2)15-11-21-7-6-12-8-20(25-3)17(22)10-13(12)16(21)9-14(15)18/h4-5,8,10,16,22H,6-7,9,11H2,1-3H3/t16-/m0/s1
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493n/a 626n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM235777
PNG
(US9359372, DC037013 | US9359372, DC037034)
Show SMILES COc1ccc(OC)c2CN3CCc4cc5OCOc5cc4[C@@H]3Cc12
Show InChI InChI=1S/C20H21NO4/c1-22-17-3-4-18(23-2)15-10-21-6-5-12-7-19-20(25-11-24-19)9-13(12)16(21)8-14(15)17/h3-4,7,9,16H,5-6,8,10-11H2,1-2H3/t16-/m0/s1
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497n/a 631n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM235772
PNG
(US9359372, DC037022)
Show SMILES COc1cc2CCN3Cc4cc(O)c(O)cc4CC3c2cc1OC
Show InChI InChI=1S/C19H21NO4/c1-23-18-8-11-3-4-20-10-13-7-17(22)16(21)6-12(13)5-15(20)14(11)9-19(18)24-2/h6-9,15,21-22H,3-5,10H2,1-2H3
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498n/a 1.01E+3n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM235776
PNG
(US9359372, DC037027)
Show SMILES COc1cc2CC3N(CCc4cc(O)c(O)cc34)Cc2c(OC)c1OC
Show InChI InChI=1S/C20H23NO5/c1-24-18-8-12-6-15-13-9-17(23)16(22)7-11(13)4-5-21(15)10-14(12)19(25-2)20(18)26-3/h7-9,15,22-23H,4-6,10H2,1-3H3
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522n/a 1.06E+3n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50387556
PNG
(CHEMBL2057438 | US9359372, DC037077)
Show SMILES COc1cc(OC)c2CN3CCc4cc5OCOc5cc4[C@@H]3Cc2c1CO
Show InChI InChI=1S/C21H23NO5/c1-24-18-8-19(25-2)16(10-23)14-6-17-13-7-21-20(26-11-27-21)5-12(13)3-4-22(17)9-15(14)18/h5,7-8,17,23H,3-4,6,9-11H2,1-2H3/t17-/m0/s1
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600n/a 758n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(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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730n/a 922n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM235774
PNG
(US9359372, DC037024)
Show SMILES COc1cc2CC3N(CCc4cc(O)c(O)cc34)Cc2cc1OC
Show InChI InChI=1S/C19H21NO4/c1-23-18-7-12-5-15-14-9-17(22)16(21)6-11(14)3-4-20(15)10-13(12)8-19(18)24-2/h6-9,15,21-22H,3-5,10H2,1-2H3
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741n/a 1.50E+3n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM235771
PNG
(US9359372, DC037007)
Show SMILES COc1ccc2C3Cc4cc(OC)c(OC)c(OC)c4CN3CCc2c1
Show InChI InChI=1S/C21H25NO4/c1-23-15-5-6-16-13(9-15)7-8-22-12-17-14(10-18(16)22)11-19(24-2)21(26-4)20(17)25-3/h5-6,9,11,18H,7-8,10,12H2,1-4H3
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1.00E+3n/a 2.03E+3n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM60961
PNG
(US9359372, DC037018)
Show SMILES COc1cc2CCN3Cc4c(C)cc(C)cc4CC3c2cc1OC
Show InChI InChI=1S/C21H25NO2/c1-13-7-14(2)18-12-22-6-5-15-10-20(23-3)21(24-4)11-17(15)19(22)9-16(18)8-13/h7-8,10-11,19H,5-6,9,12H2,1-4H3
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1.44E+3n/a 2.92E+3n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM84637
PNG
(CAS_85760-74-3 | CHEMBL240773 | NSC_54562 | QUINPI...)
Show SMILES CCCN1CCC[C@@H]2Cc3[nH]ncc3C[C@@H]12
Show InChI InChI=1S/C13H21N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h9-10,13H,2-8H2,1H3,(H,14,15)/t10-,13-/m1/s1
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n/an/a 462n/an/an/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES

US Patent


Assay Description
Each medicament was dissolved in serum-free F12 culture medium containing 100 μM of IBMX. CHO cells which can stably express D2 receptor were pre-...


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM86180
PNG
(CAS_87075-17-0 | NSC_5018 | SCH 23390 | SCH23390 |...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2C(C1)c1ccccc1
Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3
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n/an/a 740n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 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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n/an/a 1.40E+3n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM235778
PNG
(US9359372, DC037030)
Show SMILES COc1cc2CCN3Cc4c(OC)ccc(OC)c4C[C@H]3c2cc1O
Show InChI InChI=1S/C20H23NO4/c1-23-18-4-5-19(24-2)15-11-21-7-6-12-8-20(25-3)17(22)10-13(12)16(21)9-14(15)18/h4-5,8,10,16,22H,6-7,9,11H2,1-3H3/t16-/m0/s1
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n/an/a 1.90E+3n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM235768
PNG
(US9359372, DC037003)
Show SMILES COc1ccc(OC)c2CN3CCc4cc(OC)c(OC)cc4C3Cc12
Show InChI InChI=1S/C21H25NO4/c1-23-18-5-6-19(24-2)16-12-22-8-7-13-9-20(25-3)21(26-4)11-14(13)17(22)10-15(16)18/h5-6,9,11,17H,7-8,10,12H2,1-4H3
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n/an/an/an/a 3.30E+3n/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES

US Patent


Assay Description
Each medicament was dissolved in serum-free F12 culture medium containing 100 μM of IBMX. CHO cells which can stably express D2 receptor were pre-...


Citation and Details
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM235774
PNG
(US9359372, DC037024)
Show SMILES COc1cc2CC3N(CCc4cc(O)c(O)cc34)Cc2cc1OC
Show InChI InChI=1S/C19H21NO4/c1-23-18-7-12-5-15-14-9-17(22)16(21)6-11(14)3-4-20(15)10-13(12)8-19(18)24-2/h6-9,15,21-22H,3-5,10H2,1-2H3
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n/an/an/an/a 591n/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES

US Patent


Assay Description
Each medicament was dissolved in serum-free F12 culture medium containing 100 μM of IBMX. CHO cells which can stably express D2 receptor were pre-...


Citation and Details
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM235777
PNG
(US9359372, DC037013 | US9359372, DC037034)
Show SMILES COc1ccc(OC)c2CN3CCc4cc5OCOc5cc4[C@@H]3Cc12
Show InChI InChI=1S/C20H21NO4/c1-22-17-3-4-18(23-2)15-10-21-6-5-12-7-19-20(25-11-24-19)9-13(12)16(21)8-14(15)17/h3-4,7,9,16H,5-6,8,10-11H2,1-2H3/t16-/m0/s1
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n/an/an/an/a 9.74E+3n/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES

US Patent


Assay Description
Each medicament was dissolved in serum-free F12 culture medium containing 100 μM of IBMX. CHO cells which can stably express D2 receptor were pre-...


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM50004923
PNG
((+/-)-SKF-38393 | 1-Phenyl-2,3,4,5-tetrahydro-1H-b...)
Show SMILES Oc1cc2CCNCC(c3ccccc3)c2cc1O
Show InChI InChI=1S/C16H17NO2/c18-15-8-12-6-7-17-10-14(13(12)9-16(15)19)11-4-2-1-3-5-11/h1-5,8-9,14,17-19H,6-7,10H2
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n/an/an/an/a 248n/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50387560
PNG
(CHEMBL2057451 | US9359372, DC037017)
Show SMILES COc1cc2CCN3Cc4c(C)cc(C)cc4C[C@H]3c2cc1OC
Show InChI InChI=1S/C21H25NO2/c1-13-7-14(2)18-12-22-6-5-15-10-20(23-3)21(24-4)11-17(15)19(22)9-16(18)8-13/h7-8,10-11,19H,5-6,9,12H2,1-4H3/t19-/m0/s1
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n/an/an/an/a 1.62E+4n/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES

US Patent


Assay Description
Each medicament was dissolved in serum-free F12 culture medium containing 100 μM of IBMX. CHO cells which can stably express D2 receptor were pre-...


Citation and Details
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM60961
PNG
(US9359372, DC037018)
Show SMILES COc1cc2CCN3Cc4c(C)cc(C)cc4CC3c2cc1OC
Show InChI InChI=1S/C21H25NO2/c1-13-7-14(2)18-12-22-6-5-15-10-20(23-3)21(24-4)11-17(15)19(22)9-16(18)8-13/h7-8,10-11,19H,5-6,9,12H2,1-4H3
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n/an/an/an/a 1.56E+4n/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES

US Patent


Assay Description
Each medicament was dissolved in serum-free F12 culture medium containing 100 μM of IBMX. CHO cells which can stably express D2 receptor were pre-...


Citation and Details
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM235773
PNG
(US9359372, DC037008)
Show SMILES COc1ccc(OC)c2CN3CCc4cc(OC)c(OC)cc4[C@@H]3Cc12
Show InChI InChI=1S/C21H25NO4/c1-23-18-5-6-19(24-2)16-12-22-8-7-13-9-20(25-3)21(26-4)11-14(13)17(22)10-15(16)18/h5-6,9,11,17H,7-8,10,12H2,1-4H3/t17-/m0/s1
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n/an/an/an/a 4.03E+3n/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES

US Patent


Assay Description
Each medicament was dissolved in serum-free F12 culture medium containing 100 μM of IBMX. CHO cells which can stably express D2 receptor were pre-...


Citation and Details
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM21397
PNG
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
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n/an/an/an/a 1.40n/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES

US Patent


Assay Description
Each medicament was dissolved in serum-free F12 culture medium containing 100 μM of IBMX. CHO cells which can stably express D2 receptor were pre-...


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%