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Compile Data Set for Download or QSAR

Found 19605 hits with Last Name = 'chen' and Initial = 'x'   
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
Mu-type opioid receptor


(MOUSE)
BDBM50033530
PNG
(CHEMBL121211 | N-[(3S,4S)-1-((R)-2-Hydroxy-2-pheny...)
Show SMILES CCC(=O)N([C@H]1CCN(C[C@H](O)c2ccccc2)C[C@@H]1C)c1ccccc1
Show InChI InChI=1S/C23H30N2O2/c1-3-23(27)25(20-12-8-5-9-13-20)21-14-15-24(16-18(21)2)17-22(26)19-10-6-4-7-11-19/h4-13,18,21-22,26H,3,14-17H2,1-2H3/t18-,21-,22-/m0/s1
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0.00400n/an/an/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition against Opioid receptor mu 1 using [3H]- DAMGO radioligand.


J Med Chem 38: 3652-9 (1995)


Article DOI: 10.1021/jm00018a026
BindingDB Entry DOI: 10.7270/Q2BP01V7
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50033531
PNG
(CHEMBL333410 | N-[1-(2-Hydroxy-2-phenyl-ethyl)-3-m...)
Show SMILES CCC(=O)N(C1CCN(CC(O)c2ccccc2)CC1C)c1ccccc1
Show InChI InChI=1S/C23H30N2O2/c1-3-23(27)25(20-12-8-5-9-13-20)21-14-15-24(16-18(21)2)17-22(26)19-10-6-4-7-11-19/h4-13,18,21-22,26H,3,14-17H2,1-2H3
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0.00500n/an/an/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition against Opioid receptor mu 1 using [3H]- DAMGO radioligand.


J Med Chem 38: 3652-9 (1995)


Article DOI: 10.1021/jm00018a026
BindingDB Entry DOI: 10.7270/Q2BP01V7
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50375695
PNG
(CHEMBL270984)
Show SMILES Cc1cc(O)cc(O)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(O)=O
Show InChI InChI=1S/C43H49N5O9/c1-27-20-32(49)23-38(50)33(27)24-34(44)41(53)48-25-31-17-9-8-16-30(31)22-37(48)40(52)47-36(21-28-12-4-2-5-13-28)39(51)46-35(42(54)55)18-10-11-19-45-43(56)57-26-29-14-6-3-7-15-29/h2-9,12-17,20,23,34-37,49-50H,10-11,18-19,21-22,24-26,44H2,1H3,(H,45,56)(H,46,51)(H,47,52)(H,54,55)/t34-,35-,36-,37+/m0/s1
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0.0190n/an/an/an/an/an/an/an/a



Stanford University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


J Med Chem 51: 1817-23 (2008)


Article DOI: 10.1021/jm7014765
BindingDB Entry DOI: 10.7270/Q24T6K7K
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50207116
PNG
(CHEMBL3905247 | US9550741, I-4)
Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C28H33N5OS/c34-28(25-19-21-5-1-3-7-24(21)30-25)29-22-11-9-20(10-12-22)13-14-32-15-17-33(18-16-32)27-23-6-2-4-8-26(23)35-31-27/h1-8,19-20,22,30H,9-18H2,(H,29,34)/t20-,22-
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0.0290n/an/an/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

US Patent


Assay Description
The experiment is carried out by the method according to Journal of Pharmacology and Experimental Therapeutics 2010, 333(1): 328. With [3H]methyl-spi...


US Patent US9550741 (2017)

More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50207116
PNG
(CHEMBL3905247 | US9550741, I-4)
Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C28H33N5OS/c34-28(25-19-21-5-1-3-7-24(21)30-25)29-22-11-9-20(10-12-22)13-14-32-15-17-33(18-16-32)27-23-6-2-4-8-26(23)35-31-27/h1-8,19-20,22,30H,9-18H2,(H,29,34)/t20-,22-
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0.0290n/an/an/an/an/an/an/an/a



Shanghai Jiao Tong University

Curated by ChEMBL


Assay Description
Displacement of [3H]methyl-spiperone from recombinant human D3 receptor expressed in CHO cell membranes after 60 mins by scintillation counting metho...


Eur J Med Chem 123: 332-353 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.038
BindingDB Entry DOI: 10.7270/Q2GH9KXP
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50207116
PNG
(CHEMBL3905247 | US9550741, I-4)
Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C28H33N5OS/c34-28(25-19-21-5-1-3-7-24(21)30-25)29-22-11-9-20(10-12-22)13-14-32-15-17-33(18-16-32)27-23-6-2-4-8-26(23)35-31-27/h1-8,19-20,22,30H,9-18H2,(H,29,34)/t20-,22-
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0.0290n/an/an/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

US Patent


Assay Description
The experiment is carried out by the method according to Journal of Pharmacology and Experimental Therapeutics 2010, 333(1): 328. With [3H]methyl-spi...


US Patent US9550741 (2017)

More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM263372
PNG
(US9550741, I-6)
Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1cc2ccccc2s1
Show InChI InChI=1S/C28H32N4OS2/c33-28(26-19-21-5-1-3-7-24(21)34-26)29-22-11-9-20(10-12-22)13-14-31-15-17-32(18-16-31)27-23-6-2-4-8-25(23)35-30-27/h1-8,19-20,22H,9-18H2,(H,29,33)/t20-,22-
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0.0350n/an/an/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

US Patent


Assay Description
The experiment is carried out by the method according to Journal of Pharmacology and Experimental Therapeutics 2010, 333(1): 328. With [3H]methyl-spi...


US Patent US9550741 (2017)

More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM263372
PNG
(US9550741, I-6)
Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1cc2ccccc2s1
Show InChI InChI=1S/C28H32N4OS2/c33-28(26-19-21-5-1-3-7-24(21)34-26)29-22-11-9-20(10-12-22)13-14-31-15-17-32(18-16-31)27-23-6-2-4-8-25(23)35-30-27/h1-8,19-20,22H,9-18H2,(H,29,33)/t20-,22-
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0.0350n/an/an/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

US Patent


Assay Description
The experiment is carried out by the method according to Journal of Pharmacology and Experimental Therapeutics 2010, 333(1): 328. With [3H]methyl-spi...


US Patent US9550741 (2017)

More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50207143
PNG
(CHEMBL3966842 | US9550741, II-1)
Show SMILES O=S(=O)(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1cccs1
Show InChI InChI=1S/C23H30N4O2S3/c28-32(29,22-6-3-17-30-22)25-19-9-7-18(8-10-19)11-12-26-13-15-27(16-14-26)23-20-4-1-2-5-21(20)31-24-23/h1-6,17-19,25H,7-16H2/t18-,19-
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0.0430n/an/an/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

US Patent


Assay Description
The experiment is carried out by the method according to Journal of Pharmacology and Experimental Therapeutics 2010, 333(1): 328. With [3H]methyl-spi...


US Patent US9550741 (2017)

More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50207143
PNG
(CHEMBL3966842 | US9550741, II-1)
Show SMILES O=S(=O)(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1cccs1
Show InChI InChI=1S/C23H30N4O2S3/c28-32(29,22-6-3-17-30-22)25-19-9-7-18(8-10-19)11-12-26-13-15-27(16-14-26)23-20-4-1-2-5-21(20)31-24-23/h1-6,17-19,25H,7-16H2/t18-,19-
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0.0430n/an/an/an/an/an/an/an/a



Shanghai Jiao Tong University

Curated by ChEMBL


Assay Description
Displacement of [3H]methyl-spiperone from recombinant human D3 receptor expressed in CHO cell membranes after 60 mins by scintillation counting metho...


Eur J Med Chem 123: 332-353 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.038
BindingDB Entry DOI: 10.7270/Q2GH9KXP
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50207143
PNG
(CHEMBL3966842 | US9550741, II-1)
Show SMILES O=S(=O)(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1cccs1
Show InChI InChI=1S/C23H30N4O2S3/c28-32(29,22-6-3-17-30-22)25-19-9-7-18(8-10-19)11-12-26-13-15-27(16-14-26)23-20-4-1-2-5-21(20)31-24-23/h1-6,17-19,25H,7-16H2/t18-,19-
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0.0430n/an/an/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

US Patent


Assay Description
The experiment is carried out by the method according to Journal of Pharmacology and Experimental Therapeutics 2010, 333(1): 328. With [3H]methyl-spi...


US Patent US9550741 (2017)

More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50207162
PNG
(CHEMBL3918755 | US9550741, IV-1)
Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)Nc1ccccc1
Show InChI InChI=1S/C26H33N5OS/c32-26(27-21-6-2-1-3-7-21)28-22-12-10-20(11-13-22)14-15-30-16-18-31(19-17-30)25-23-8-4-5-9-24(23)33-29-25/h1-9,20,22H,10-19H2,(H2,27,28,32)/t20-,22-
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0.0430n/an/an/an/an/an/an/an/a



Shanghai Jiao Tong University

Curated by ChEMBL


Assay Description
Displacement of [3H]methyl-spiperone from recombinant human D3 receptor expressed in CHO cell membranes after 60 mins by scintillation counting metho...


Eur J Med Chem 123: 332-353 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.038
BindingDB Entry DOI: 10.7270/Q2GH9KXP
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50207155
PNG
(CHEMBL3895540)
Show SMILES CN([C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)S(=O)(=O)c1cccs1
Show InChI InChI=1S/C24H32N4O2S3/c1-26(33(29,30)23-7-4-18-31-23)20-10-8-19(9-11-20)12-13-27-14-16-28(17-15-27)24-21-5-2-3-6-22(21)32-25-24/h2-7,18-20H,8-17H2,1H3/t19-,20-
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0.0460n/an/an/an/an/an/an/an/a



Shanghai Jiao Tong University

Curated by ChEMBL


Assay Description
Displacement of [3H]methyl-spiperone from recombinant human D3 receptor expressed in CHO cell membranes after 60 mins by scintillation counting metho...


Eur J Med Chem 123: 332-353 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.038
BindingDB Entry DOI: 10.7270/Q2GH9KXP
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50207141
PNG
(CHEMBL3920252)
Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1ccccc1
Show InChI InChI=1S/C26H32N4OS/c31-26(21-6-2-1-3-7-21)27-22-12-10-20(11-13-22)14-15-29-16-18-30(19-17-29)25-23-8-4-5-9-24(23)32-28-25/h1-9,20,22H,10-19H2,(H,27,31)/t20-,22-
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0.0470n/an/an/an/an/an/an/an/a



Shanghai Jiao Tong University

Curated by ChEMBL


Assay Description
Displacement of [3H]methyl-spiperone from recombinant human D3 receptor expressed in CHO cell membranes after 60 mins by scintillation counting metho...


Eur J Med Chem 123: 332-353 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.038
BindingDB Entry DOI: 10.7270/Q2GH9KXP
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50207148
PNG
(CHEMBL3932186)
Show SMILES Clc1ccc2c(nsc2c1)N1CCN(C[C@H]2CC[C@H](CNC(=O)c3ccco3)CC2)CC1
Show InChI InChI=1S/C24H29ClN4O2S/c25-19-7-8-20-22(14-19)32-27-23(20)29-11-9-28(10-12-29)16-18-5-3-17(4-6-18)15-26-24(30)21-2-1-13-31-21/h1-2,7-8,13-14,17-18H,3-6,9-12,15-16H2,(H,26,30)/t17-,18-
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0.0510n/an/an/an/an/an/an/an/a



Shanghai Jiao Tong University

Curated by ChEMBL


Assay Description
Displacement of [3H]methyl-spiperone from recombinant human D3 receptor expressed in CHO cell membranes after 60 mins by scintillation counting metho...


Eur J Med Chem 123: 332-353 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.038
BindingDB Entry DOI: 10.7270/Q2GH9KXP
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50207154
PNG
(CHEMBL3902496)
Show SMILES CCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1
Show InChI InChI=1S/C22H32N4OS/c1-2-21(27)23-18-9-7-17(8-10-18)11-12-25-13-15-26(16-14-25)22-19-5-3-4-6-20(19)28-24-22/h3-6,17-18H,2,7-16H2,1H3,(H,23,27)/t17-,18-
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0.0520n/an/an/an/an/an/an/an/a



Shanghai Jiao Tong University

Curated by ChEMBL


Assay Description
Displacement of [3H]methyl-spiperone from recombinant human D3 receptor expressed in CHO cell membranes after 60 mins by scintillation counting metho...


Eur J Med Chem 123: 332-353 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.038
BindingDB Entry DOI: 10.7270/Q2GH9KXP
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50207113
PNG
(CHEMBL3896937 | US9550741, IV-3)
Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)Nc1cccnc1
Show InChI InChI=1S/C25H32N6OS/c32-25(28-21-4-3-12-26-18-21)27-20-9-7-19(8-10-20)11-13-30-14-16-31(17-15-30)24-22-5-1-2-6-23(22)33-29-24/h1-6,12,18-20H,7-11,13-17H2,(H2,27,28,32)/t19-,20-
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0.0550n/an/an/an/an/an/an/an/a



Shanghai Jiao Tong University

Curated by ChEMBL


Assay Description
Displacement of [3H]methyl-spiperone from recombinant human D3 receptor expressed in CHO cell membranes after 60 mins by scintillation counting metho...


Eur J Med Chem 123: 332-353 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.038
BindingDB Entry DOI: 10.7270/Q2GH9KXP
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50207094
PNG
(CHEMBL3976282 | US9550741, I-2)
Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1cccs1
Show InChI InChI=1S/C24H30N4OS2/c29-24(22-6-3-17-30-22)25-19-9-7-18(8-10-19)11-12-27-13-15-28(16-14-27)23-20-4-1-2-5-21(20)31-26-23/h1-6,17-19H,7-16H2,(H,25,29)/t18-,19-
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0.0560n/an/an/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

US Patent


Assay Description
The experiment is carried out by the method according to Journal of Pharmacology and Experimental Therapeutics 2010, 333(1): 328. With [3H]methyl-spi...


US Patent US9550741 (2017)

More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50207094
PNG
(CHEMBL3976282 | US9550741, I-2)
Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1cccs1
Show InChI InChI=1S/C24H30N4OS2/c29-24(22-6-3-17-30-22)25-19-9-7-18(8-10-19)11-12-27-13-15-28(16-14-27)23-20-4-1-2-5-21(20)31-26-23/h1-6,17-19H,7-16H2,(H,25,29)/t18-,19-
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0.0560n/an/an/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

US Patent


Assay Description
The experiment is carried out by the method according to Journal of Pharmacology and Experimental Therapeutics 2010, 333(1): 328. With [3H]methyl-spi...


US Patent US9550741 (2017)

More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50207094
PNG
(CHEMBL3976282 | US9550741, I-2)
Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1cccs1
Show InChI InChI=1S/C24H30N4OS2/c29-24(22-6-3-17-30-22)25-19-9-7-18(8-10-19)11-12-27-13-15-28(16-14-27)23-20-4-1-2-5-21(20)31-26-23/h1-6,17-19H,7-16H2,(H,25,29)/t18-,19-
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0.0560n/an/an/an/an/an/an/an/a



Shanghai Jiao Tong University

Curated by ChEMBL


Assay Description
Displacement of [3H]methyl-spiperone from recombinant human D3 receptor expressed in CHO cell membranes after 60 mins by scintillation counting metho...


Eur J Med Chem 123: 332-353 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.038
BindingDB Entry DOI: 10.7270/Q2GH9KXP
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50207150
PNG
(CHEMBL3933256)
Show SMILES O=S(=O)(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1cccnc1
Show InChI InChI=1S/C24H31N5O2S2/c30-33(31,21-4-3-12-25-18-21)27-20-9-7-19(8-10-20)11-13-28-14-16-29(17-15-28)24-22-5-1-2-6-23(22)32-26-24/h1-6,12,18-20,27H,7-11,13-17H2/t19-,20-
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0.0580n/an/an/an/an/an/an/an/a



Shanghai Jiao Tong University

Curated by ChEMBL


Assay Description
Displacement of [3H]methyl-spiperone from recombinant human D3 receptor expressed in CHO cell membranes after 60 mins by scintillation counting metho...


Eur J Med Chem 123: 332-353 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.038
BindingDB Entry DOI: 10.7270/Q2GH9KXP
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50207158
PNG
(CHEMBL3982486 | US9550741, III-2)
Show SMILES CCOC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1
Show InChI InChI=1S/C22H32N4O2S/c1-2-28-22(27)23-18-9-7-17(8-10-18)11-12-25-13-15-26(16-14-25)21-19-5-3-4-6-20(19)29-24-21/h3-6,17-18H,2,7-16H2,1H3,(H,23,27)/t17-,18-
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0.0580n/an/an/an/an/an/an/an/a



Shanghai Jiao Tong University

Curated by ChEMBL


Assay Description
Displacement of [3H]methyl-spiperone from recombinant human D3 receptor expressed in CHO cell membranes after 60 mins by scintillation counting metho...


Eur J Med Chem 123: 332-353 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.038
BindingDB Entry DOI: 10.7270/Q2GH9KXP
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50207158
PNG
(CHEMBL3982486 | US9550741, III-2)
Show SMILES CCOC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1
Show InChI InChI=1S/C22H32N4O2S/c1-2-28-22(27)23-18-9-7-17(8-10-18)11-12-25-13-15-26(16-14-25)21-19-5-3-4-6-20(19)29-24-21/h3-6,17-18H,2,7-16H2,1H3,(H,23,27)/t17-,18-
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0.0580n/an/an/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

US Patent


Assay Description
The experiment is carried out by the method according to Journal of Pharmacology and Experimental Therapeutics 2010, 333(1): 328. With [3H]methyl-spi...


US Patent US9550741 (2017)

More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50207158
PNG
(CHEMBL3982486 | US9550741, III-2)
Show SMILES CCOC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1
Show InChI InChI=1S/C22H32N4O2S/c1-2-28-22(27)23-18-9-7-17(8-10-18)11-12-25-13-15-26(16-14-25)21-19-5-3-4-6-20(19)29-24-21/h3-6,17-18H,2,7-16H2,1H3,(H,23,27)/t17-,18-
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0.0580n/an/an/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

US Patent


Assay Description
The experiment is carried out by the method according to Journal of Pharmacology and Experimental Therapeutics 2010, 333(1): 328. With [3H]methyl-spi...


US Patent US9550741 (2017)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50033533
PNG
(CHEMBL121403 | N-[(3R,4R)-1-((S)-2-Hydroxy-2-pheny...)
Show SMILES CCC(=O)N([C@@H]1CCN(C[C@@H](O)c2ccccc2)C[C@H]1C)c1ccccc1
Show InChI InChI=1S/C23H30N2O2/c1-3-23(27)25(20-12-8-5-9-13-20)21-14-15-24(16-18(21)2)17-22(26)19-10-6-4-7-11-19/h4-13,18,21-22,26H,3,14-17H2,1-2H3/t18-,21-,22-/m1/s1
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0.0600n/an/an/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition against Opioid receptor mu 1 using [3H]- DAMGO radioligand.


J Med Chem 38: 3652-9 (1995)


Article DOI: 10.1021/jm00018a026
BindingDB Entry DOI: 10.7270/Q2BP01V7
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM263429
PNG
(US9550741, III-11)
Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)OCc1ccccc1
Show InChI InChI=1S/C27H34N4O2S/c32-27(33-20-22-6-2-1-3-7-22)28-23-12-10-21(11-13-23)14-15-30-16-18-31(19-17-30)26-24-8-4-5-9-25(24)34-29-26/h1-9,21,23H,10-20H2,(H,28,32)/t21-,23-
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0.0610n/an/an/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

US Patent


Assay Description
The experiment is carried out by the method according to Journal of Pharmacology and Experimental Therapeutics 2010, 333(1): 328. With [3H]methyl-spi...


US Patent US9550741 (2017)

More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM263429
PNG
(US9550741, III-11)
Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)OCc1ccccc1
Show InChI InChI=1S/C27H34N4O2S/c32-27(33-20-22-6-2-1-3-7-22)28-23-12-10-21(11-13-23)14-15-30-16-18-31(19-17-30)26-24-8-4-5-9-25(24)34-29-26/h1-9,21,23H,10-20H2,(H,28,32)/t21-,23-
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0.0610n/an/an/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

US Patent


Assay Description
The experiment is carried out by the method according to Journal of Pharmacology and Experimental Therapeutics 2010, 333(1): 328. With [3H]methyl-spi...


US Patent US9550741 (2017)

More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM263393
PNG
(US9550741, II-3)
Show SMILES O=S(=O)(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1ccco1
Show InChI InChI=1S/C23H30N4O3S2/c28-32(29,22-6-3-17-30-22)25-19-9-7-18(8-10-19)11-12-26-13-15-27(16-14-26)23-20-4-1-2-5-21(20)31-24-23/h1-6,17-19,25H,7-16H2/t18-,19-
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0.0620n/an/an/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

US Patent


Assay Description
The experiment is carried out by the method according to Journal of Pharmacology and Experimental Therapeutics 2010, 333(1): 328. With [3H]methyl-spi...


US Patent US9550741 (2017)

More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM263393
PNG
(US9550741, II-3)
Show SMILES O=S(=O)(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1ccco1
Show InChI InChI=1S/C23H30N4O3S2/c28-32(29,22-6-3-17-30-22)25-19-9-7-18(8-10-19)11-12-26-13-15-27(16-14-26)23-20-4-1-2-5-21(20)31-24-23/h1-6,17-19,25H,7-16H2/t18-,19-
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0.0620n/an/an/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

US Patent


Assay Description
The experiment is carried out by the method according to Journal of Pharmacology and Experimental Therapeutics 2010, 333(1): 328. With [3H]methyl-spi...


US Patent US9550741 (2017)

More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50207115
PNG
(CHEMBL3948056)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1
Show InChI InChI=1S/C26H34N4O2S2/c1-20-6-12-23(13-7-20)34(31,32)28-22-10-8-21(9-11-22)14-15-29-16-18-30(19-17-29)26-24-4-2-3-5-25(24)33-27-26/h2-7,12-13,21-22,28H,8-11,14-19H2,1H3/t21-,22-
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0.0620n/an/an/an/an/an/an/an/a



Shanghai Jiao Tong University

Curated by ChEMBL


Assay Description
Displacement of [3H]methyl-spiperone from recombinant human D3 receptor expressed in CHO cell membranes after 60 mins by scintillation counting metho...


Eur J Med Chem 123: 332-353 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.038
BindingDB Entry DOI: 10.7270/Q2GH9KXP
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50207113
PNG
(CHEMBL3896937 | US9550741, IV-3)
Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)Nc1cccnc1
Show InChI InChI=1S/C25H32N6OS/c32-25(28-21-4-3-12-26-18-21)27-20-9-7-19(8-10-20)11-13-30-14-16-31(17-15-30)24-22-5-1-2-6-23(22)33-29-24/h1-6,12,18-20H,7-11,13-17H2,(H2,27,28,32)/t19-,20-
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0.0680n/an/an/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

US Patent


Assay Description
The experiment is carried out by the method according to Journal of Pharmacology and Experimental Therapeutics 2010, 333(1): 328. With [3H]methyl-spi...


US Patent US9550741 (2017)

More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50207113
PNG
(CHEMBL3896937 | US9550741, IV-3)
Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)Nc1cccnc1
Show InChI InChI=1S/C25H32N6OS/c32-25(28-21-4-3-12-26-18-21)27-20-9-7-19(8-10-20)11-13-30-14-16-31(17-15-30)24-22-5-1-2-6-23(22)33-29-24/h1-6,12,18-20H,7-11,13-17H2,(H2,27,28,32)/t19-,20-
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0.0680n/an/an/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

US Patent


Assay Description
The experiment is carried out by the method according to Journal of Pharmacology and Experimental Therapeutics 2010, 333(1): 328. With [3H]methyl-spi...


US Patent US9550741 (2017)

More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM263388
PNG
(US9550741, I-22)
Show SMILES O=C(N[C@@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C28H33N5OS/c34-28(25-19-21-5-1-3-7-24(21)30-25)29-22-11-9-20(10-12-22)13-14-32-15-17-33(18-16-32)27-23-6-2-4-8-26(23)35-31-27/h1-8,19-20,22,30H,9-18H2,(H,29,34)/t20-,22+
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0.0710n/an/an/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

US Patent


Assay Description
The experiment is carried out by the method according to Journal of Pharmacology and Experimental Therapeutics 2010, 333(1): 328. With [3H]methyl-spi...


US Patent US9550741 (2017)

More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM263388
PNG
(US9550741, I-22)
Show SMILES O=C(N[C@@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C28H33N5OS/c34-28(25-19-21-5-1-3-7-24(21)30-25)29-22-11-9-20(10-12-22)13-14-32-15-17-33(18-16-32)27-23-6-2-4-8-26(23)35-31-27/h1-8,19-20,22,30H,9-18H2,(H,29,34)/t20-,22+
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0.0710n/an/an/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

US Patent


Assay Description
The experiment is carried out by the method according to Journal of Pharmacology and Experimental Therapeutics 2010, 333(1): 328. With [3H]methyl-spi...


US Patent US9550741 (2017)

More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM263371
PNG
(US9550741, I-5)
Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1cc2ccccc2o1
Show InChI InChI=1S/C28H32N4O2S/c33-28(25-19-21-5-1-3-7-24(21)34-25)29-22-11-9-20(10-12-22)13-14-31-15-17-32(18-16-31)27-23-6-2-4-8-26(23)35-30-27/h1-8,19-20,22H,9-18H2,(H,29,33)/t20-,22-
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0.0780n/an/an/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

US Patent


Assay Description
The experiment is carried out by the method according to Journal of Pharmacology and Experimental Therapeutics 2010, 333(1): 328. With [3H]methyl-spi...


US Patent US9550741 (2017)

More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM263371
PNG
(US9550741, I-5)
Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1cc2ccccc2o1
Show InChI InChI=1S/C28H32N4O2S/c33-28(25-19-21-5-1-3-7-24(21)34-25)29-22-11-9-20(10-12-22)13-14-31-15-17-32(18-16-31)27-23-6-2-4-8-26(23)35-30-27/h1-8,19-20,22H,9-18H2,(H,29,33)/t20-,22-
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0.0780n/an/an/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

US Patent


Assay Description
The experiment is carried out by the method according to Journal of Pharmacology and Experimental Therapeutics 2010, 333(1): 328. With [3H]methyl-spi...


US Patent US9550741 (2017)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50033534
PNG
(CHEMBL338510 | N-[(3S,4S)-1-((S)-2-Hydroxy-2-pheny...)
Show SMILES CCC(=O)N([C@H]1CCN(C[C@@H](O)c2ccccc2)C[C@@H]1C)c1ccccc1
Show InChI InChI=1S/C23H30N2O2/c1-3-23(27)25(20-12-8-5-9-13-20)21-14-15-24(16-18(21)2)17-22(26)19-10-6-4-7-11-19/h4-13,18,21-22,26H,3,14-17H2,1-2H3/t18-,21-,22+/m0/s1
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0.0800n/an/an/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition against Opioid receptor mu 1 using [3H]- DAMGO radioligand.


J Med Chem 38: 3652-9 (1995)


Article DOI: 10.1021/jm00018a026
BindingDB Entry DOI: 10.7270/Q2BP01V7
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50146972
PNG
((S)-4-(4-chlorobenzylamino)-2-amino-1-(piperidin-1...)
Show SMILES N[C@@H](CCNCc1ccc(Cl)cc1)C(=O)N1CCCCC1
Show InChI InChI=1S/C16H24ClN3O/c17-14-6-4-13(5-7-14)12-19-9-8-15(18)16(21)20-10-2-1-3-11-20/h4-7,15,19H,1-3,8-12,18H2/t15-/m0/s1
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0.0820n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of DPP2 (unknown origin)


Bioorg Med Chem Lett 18: 4154-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.080
BindingDB Entry DOI: 10.7270/Q2G160N3
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM263395
PNG
(US9550741, II-5)
Show SMILES O=S(=O)(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1cc2ccccc2o1
Show InChI InChI=1S/C27H32N4O3S2/c32-36(33,26-19-21-5-1-3-7-24(21)34-26)29-22-11-9-20(10-12-22)13-14-30-15-17-31(18-16-30)27-23-6-2-4-8-25(23)35-28-27/h1-8,19-20,22,29H,9-18H2/t20-,22-
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0.0850n/an/an/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

US Patent


Assay Description
The experiment is carried out by the method according to Journal of Pharmacology and Experimental Therapeutics 2010, 333(1): 328. With [3H]methyl-spi...


US Patent US9550741 (2017)

More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM263395
PNG
(US9550741, II-5)
Show SMILES O=S(=O)(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1cc2ccccc2o1
Show InChI InChI=1S/C27H32N4O3S2/c32-36(33,26-19-21-5-1-3-7-24(21)34-26)29-22-11-9-20(10-12-22)13-14-30-15-17-31(18-16-30)27-23-6-2-4-8-25(23)35-28-27/h1-8,19-20,22,29H,9-18H2/t20-,22-
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US Patent
0.0850n/an/an/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

US Patent


Assay Description
The experiment is carried out by the method according to Journal of Pharmacology and Experimental Therapeutics 2010, 333(1): 328. With [3H]methyl-spi...


US Patent US9550741 (2017)

More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM263432
PNG
(US9550741, III-14)
Show SMILES COC(=O)N[C@@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1
Show InChI InChI=1S/C21H30N4O2S/c1-27-21(26)22-17-8-6-16(7-9-17)10-11-24-12-14-25(15-13-24)20-18-4-2-3-5-19(18)28-23-20/h2-5,16-17H,6-15H2,1H3,(H,22,26)/t16-,17+
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0.0870n/an/an/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

US Patent


Assay Description
The experiment is carried out by the method according to Journal of Pharmacology and Experimental Therapeutics 2010, 333(1): 328. With [3H]methyl-spi...


US Patent US9550741 (2017)

More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM263432
PNG
(US9550741, III-14)
Show SMILES COC(=O)N[C@@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1
Show InChI InChI=1S/C21H30N4O2S/c1-27-21(26)22-17-8-6-16(7-9-17)10-11-24-12-14-25(15-13-24)20-18-4-2-3-5-19(18)28-23-20/h2-5,16-17H,6-15H2,1H3,(H,22,26)/t16-,17+
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0.0870n/an/an/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

US Patent


Assay Description
The experiment is carried out by the method according to Journal of Pharmacology and Experimental Therapeutics 2010, 333(1): 328. With [3H]methyl-spi...


US Patent US9550741 (2017)

More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50207112
PNG
(CHEMBL3967779)
Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1cccnc1
Show InChI InChI=1S/C25H31N5OS/c31-25(20-4-3-12-26-18-20)27-21-9-7-19(8-10-21)11-13-29-14-16-30(17-15-29)24-22-5-1-2-6-23(22)32-28-24/h1-6,12,18-19,21H,7-11,13-17H2,(H,27,31)/t19-,21-
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0.0900n/an/an/an/an/an/an/an/a



Shanghai Jiao Tong University

Curated by ChEMBL


Assay Description
Displacement of [3H]methyl-spiperone from recombinant human D3 receptor expressed in CHO cell membranes after 60 mins by scintillation counting metho...


Eur J Med Chem 123: 332-353 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.038
BindingDB Entry DOI: 10.7270/Q2GH9KXP
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM263449
PNG
(US9550741, RGH-188)
Show SMILES CN(C)C(=O)NC1CCC(CCN2CCN(CC2)c2cccc(Cl)c2Cl)CC1
Show InChI InChI=1S/C21H32Cl2N4O/c1-25(2)21(28)24-17-8-6-16(7-9-17)10-11-26-12-14-27(15-13-26)19-5-3-4-18(22)20(19)23/h3-5,16-17H,6-15H2,1-2H3,(H,24,28)
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0.0900n/an/an/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

US Patent


Assay Description
The experiment is carried out by the method according to Journal of Pharmacology and Experimental Therapeutics 2010, 333(1): 328. With [3H]methyl-spi...


US Patent US9550741 (2017)

More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM263421
PNG
(US9550741, III-3)
Show SMILES CC(C)COC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1
Show InChI InChI=1S/C24H36N4O2S/c1-18(2)17-30-24(29)25-20-9-7-19(8-10-20)11-12-27-13-15-28(16-14-27)23-21-5-3-4-6-22(21)31-26-23/h3-6,18-20H,7-17H2,1-2H3,(H,25,29)/t19-,20-
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0.0930n/an/an/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

US Patent


Assay Description
The experiment is carried out by the method according to Journal of Pharmacology and Experimental Therapeutics 2010, 333(1): 328. With [3H]methyl-spi...


US Patent US9550741 (2017)

More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM263421
PNG
(US9550741, III-3)
Show SMILES CC(C)COC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1
Show InChI InChI=1S/C24H36N4O2S/c1-18(2)17-30-24(29)25-20-9-7-19(8-10-20)11-12-27-13-15-28(16-14-27)23-21-5-3-4-6-22(21)31-26-23/h3-6,18-20H,7-17H2,1-2H3,(H,25,29)/t19-,20-
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0.0930n/an/an/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

US Patent


Assay Description
The experiment is carried out by the method according to Journal of Pharmacology and Experimental Therapeutics 2010, 333(1): 328. With [3H]methyl-spi...


US Patent US9550741 (2017)

More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM263412
PNG
(US9550741, II-17)
Show SMILES O=S(=O)(N[C@@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1ccc[nH]1
Show InChI InChI=1S/C23H31N5O2S2/c29-32(30,22-6-3-12-24-22)26-19-9-7-18(8-10-19)11-13-27-14-16-28(17-15-27)23-20-4-1-2-5-21(20)31-25-23/h1-6,12,18-19,24,26H,7-11,13-17H2/t18-,19+
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0.0930n/an/an/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

US Patent


Assay Description
The experiment is carried out by the method according to Journal of Pharmacology and Experimental Therapeutics 2010, 333(1): 328. With [3H]methyl-spi...


US Patent US9550741 (2017)

More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM263412
PNG
(US9550741, II-17)
Show SMILES O=S(=O)(N[C@@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1ccc[nH]1
Show InChI InChI=1S/C23H31N5O2S2/c29-32(30,22-6-3-12-24-22)26-19-9-7-18(8-10-19)11-13-27-14-16-28(17-15-27)23-20-4-1-2-5-21(20)31-25-23/h1-6,12,18-19,24,26H,7-11,13-17H2/t18-,19+
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0.0930n/an/an/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

US Patent


Assay Description
The experiment is carried out by the method according to Journal of Pharmacology and Experimental Therapeutics 2010, 333(1): 328. With [3H]methyl-spi...


US Patent US9550741 (2017)

More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50207114
PNG
(CHEMBL3892440)
Show SMILES CS(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1
Show InChI InChI=1S/C20H30N4O2S2/c1-28(25,26)22-17-8-6-16(7-9-17)10-11-23-12-14-24(15-13-23)20-18-4-2-3-5-19(18)27-21-20/h2-5,16-17,22H,6-15H2,1H3/t16-,17-
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0.0950n/an/an/an/an/an/an/an/a



Shanghai Jiao Tong University

Curated by ChEMBL


Assay Description
Displacement of [3H]methyl-spiperone from recombinant human D3 receptor expressed in CHO cell membranes after 60 mins by scintillation counting metho...


Eur J Med Chem 123: 332-353 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.038
BindingDB Entry DOI: 10.7270/Q2GH9KXP
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50443101
PNG
(CARIPRAZINE | Cariprazine | RGH-188)
Show SMILES CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(Cl)c2Cl)CC1
Show InChI InChI=1S/C21H32Cl2N4O/c1-25(2)21(28)24-17-8-6-16(7-9-17)10-11-26-12-14-27(15-13-26)19-5-3-4-18(22)20(19)23/h3-5,16-17H,6-15H2,1-2H3,(H,24,28)/t16-,17-
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0.0960n/an/an/an/an/an/an/an/a



Shanghai Jiao Tong University

Curated by ChEMBL


Assay Description
Displacement of [3H]methyl-spiperone from recombinant human D3 receptor expressed in CHO cell membranes after 60 mins by scintillation counting metho...


Eur J Med Chem 123: 332-353 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.038
BindingDB Entry DOI: 10.7270/Q2GH9KXP
More data for this
Ligand-Target Pair
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