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Compile Data Set for Download or QSAR

Found 234 hits with Last Name = 'gordon' and Initial = 'jc'   
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))
BDBM50339685
PNG
(4-(Thiophen-3-yl)-N-(4-(4-(2-(2-fluoroethoxy)pheny...)
Show SMILES FCCOc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1
Show InChI InChI=1S/C27H32FN3O2S/c28-12-19-33-26-6-2-1-5-25(26)31-17-15-30(16-18-31)14-4-3-13-29-27(32)23-9-7-22(8-10-23)24-11-20-34-21-24/h1-2,5-11,20-21H,3-4,12-19H2,(H,29,32)
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0.170n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D2L receptor expressed in HEK...


Bioorg Med Chem Lett 29: 2690-2694 (2019)


Article DOI: null
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50512803
PNG
(CHEMBL4567895)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1
Show InChI InChI=1S/C26H31N3O2S/c1-31-25-7-3-2-6-24(25)29-17-15-28(16-18-29)14-5-4-13-27-26(30)22-10-8-21(9-11-22)23-12-19-32-20-23/h2-3,6-12,19-20H,4-5,13-18H2,1H3,(H,27,30)
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0.200n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D3 receptor expressed in HEK2...


Bioorg Med Chem Lett 29: 2690-2694 (2019)


Article DOI: null
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50512799
PNG
(CHEMBL4571568)
Show SMILES O=C(NCCCCN1CCN(CC1)c1ccccc1C#N)c1ccc(cc1)-c1ccsc1
Show InChI InChI=1S/C26H28N4OS/c27-19-23-5-1-2-6-25(23)30-16-14-29(15-17-30)13-4-3-12-28-26(31)22-9-7-21(8-10-22)24-11-18-32-20-24/h1-2,5-11,18,20H,3-4,12-17H2,(H,28,31)
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0.25n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D3 receptor expressed in HEK2...


Bioorg Med Chem Lett 29: 2690-2694 (2019)


Article DOI: null
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50512801
PNG
(CHEMBL4590192)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1
Show InChI InChI=1S/C26H28F3N3OS/c27-26(28,29)23-4-3-5-24(18-23)32-15-13-31(14-16-32)12-2-1-11-30-25(33)21-8-6-20(7-9-21)22-10-17-34-19-22/h3-10,17-19H,1-2,11-16H2,(H,30,33)
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0.410n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D3 receptor expressed in HEK2...


Bioorg Med Chem Lett 29: 2690-2694 (2019)


Article DOI: null
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50512789
PNG
(CHEMBL4583609)
Show SMILES Clc1cc(Cl)cc(c1)N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1
Show InChI InChI=1S/C25H27Cl2N3OS/c26-22-15-23(27)17-24(16-22)30-12-10-29(11-13-30)9-2-1-8-28-25(31)20-5-3-19(4-6-20)21-7-14-32-18-21/h3-7,14-18H,1-2,8-13H2,(H,28,31)
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0.440n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D3 receptor expressed in HEK2...


Bioorg Med Chem Lett 29: 2690-2694 (2019)


Article DOI: null
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50512797
PNG
(CHEMBL4579251)
Show SMILES Oc1cccc(c1)N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1
Show InChI InChI=1S/C25H29N3O2S/c29-24-5-3-4-23(18-24)28-15-13-27(14-16-28)12-2-1-11-26-25(30)21-8-6-20(7-9-21)22-10-17-31-19-22/h3-10,17-19,29H,1-2,11-16H2,(H,26,30)
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0.470n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D3 receptor expressed in HEK2...


Bioorg Med Chem Lett 29: 2690-2694 (2019)


Article DOI: null
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50512787
PNG
(CHEMBL4437341)
Show SMILES O=C(NCCCCN1CCN(CC1)c1cccc(c1)C#N)c1ccc(cc1)-c1ccsc1
Show InChI InChI=1S/C26H28N4OS/c27-19-21-4-3-5-25(18-21)30-15-13-29(14-16-30)12-2-1-11-28-26(31)23-8-6-22(7-9-23)24-10-17-32-20-24/h3-10,17-18,20H,1-2,11-16H2,(H,28,31)
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0.5n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D3 receptor expressed in HEK2...


Bioorg Med Chem Lett 29: 2690-2694 (2019)


Article DOI: null
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50512794
PNG
(CHEMBL4450777)
Show SMILES Clc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1
Show InChI InChI=1S/C25H28ClN3OS/c26-23-5-1-2-6-24(23)29-16-14-28(15-17-29)13-4-3-12-27-25(30)21-9-7-20(8-10-21)22-11-18-31-19-22/h1-2,5-11,18-19H,3-4,12-17H2,(H,27,30)
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0.550n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D3 receptor expressed in HEK2...


Bioorg Med Chem Lett 29: 2690-2694 (2019)


Article DOI: null
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50512805
PNG
(CHEMBL4587635)
Show SMILES Cc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1
Show InChI InChI=1S/C26H31N3OS/c1-21-6-2-3-7-25(21)29-17-15-28(16-18-29)14-5-4-13-27-26(30)23-10-8-22(9-11-23)24-12-19-31-20-24/h2-3,6-12,19-20H,4-5,13-18H2,1H3,(H,27,30)
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0.680n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D3 receptor expressed in HEK2...


Bioorg Med Chem Lett 29: 2690-2694 (2019)


Article DOI: null
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50512802
PNG
(CHEMBL4535174)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3ccc(cc3)-c3ccsc3)CC2)c1Cl
Show InChI InChI=1S/C25H27Cl2N3OS/c26-22-4-3-5-23(24(22)27)30-15-13-29(14-16-30)12-2-1-11-28-25(31)20-8-6-19(7-9-20)21-10-17-32-18-21/h3-10,17-18H,1-2,11-16H2,(H,28,31)
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0.890n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D3 receptor expressed in HEK2...


Bioorg Med Chem Lett 29: 2690-2694 (2019)


Article DOI: null
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50512800
PNG
(CHEMBL4476605)
Show SMILES FC(F)(F)c1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1
Show InChI InChI=1S/C26H28F3N3OS/c27-26(28,29)23-5-1-2-6-24(23)32-16-14-31(15-17-32)13-4-3-12-30-25(33)21-9-7-20(8-10-21)22-11-18-34-19-22/h1-2,5-11,18-19H,3-4,12-17H2,(H,30,33)
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1.5n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D3 receptor expressed in HEK2...


Bioorg Med Chem Lett 29: 2690-2694 (2019)


Article DOI: null
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2


(Homo sapiens (Human))
BDBM82070
PNG
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1
Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
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2.30n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
In vitro Binding affinity towards alpha-3 (PC12) nAChR was determined


Bioorg Med Chem Lett 11: 319-21 (2001)


Article DOI: 10.1016/s0960-894x(00)00670-3
BindingDB Entry DOI: 10.7270/Q2028S36
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neuronal acetylcholine receptor protein alpha-7 subunit


(Mus musculus)
BDBM50096713
PNG
(1H-Indole-3-carboxylic acid 1-aza-bicyclo[2.2.2]oc...)
Show SMILES O=C(OC1CN2CCC1CC2)c1c[nH]c2ccccc12
Show InChI InChI=1S/C16H18N2O2/c19-16(13-9-17-14-4-2-1-3-12(13)14)20-15-10-18-7-5-11(15)6-8-18/h1-4,9,11,15,17H,5-8,10H2
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2.30n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
In vitro Binding affinity towards alpha-7 nAChR was determined


Bioorg Med Chem Lett 11: 319-21 (2001)


Article DOI: 10.1016/s0960-894x(00)00670-3
BindingDB Entry DOI: 10.7270/Q2028S36
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50512795
PNG
(CHEMBL4438037)
Show SMILES Clc1ccc(N2CCN(CCCCNC(=O)c3ccc(cc3)-c3ccsc3)CC2)c(Cl)c1
Show InChI InChI=1S/C25H27Cl2N3OS/c26-22-7-8-24(23(27)17-22)30-14-12-29(13-15-30)11-2-1-10-28-25(31)20-5-3-19(4-6-20)21-9-16-32-18-21/h3-9,16-18H,1-2,10-15H2,(H,28,31)
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3.80n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D3 receptor expressed in HEK2...


Bioorg Med Chem Lett 29: 2690-2694 (2019)


Article DOI: null
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Mus musculus)
BDBM50096712
PNG
(3-(1H-Indole-3-carbonyloxy)-8,8-dimethyl-8-azonia-...)
Show SMILES C[N+]1(C)C2CCC1CC(C2)OC(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C18H22N2O2/c1-20(2)12-7-8-13(20)10-14(9-12)22-18(21)16-11-19-17-6-4-3-5-15(16)17/h3-6,11-14H,7-10H2,1-2H3/p+1
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6.40n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
In vitro Binding affinity towards alpha-7 nAChR was determined


Bioorg Med Chem Lett 11: 319-21 (2001)


Article DOI: 10.1016/s0960-894x(00)00670-3
BindingDB Entry DOI: 10.7270/Q2028S36
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Mus musculus)
BDBM50108392
PNG
((3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL 1H-I...)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3/t11-,12+,13+
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6.90n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
In vitro Binding affinity towards alpha-7 nAChR was determined


Bioorg Med Chem Lett 11: 319-21 (2001)


Article DOI: 10.1016/s0960-894x(00)00670-3
BindingDB Entry DOI: 10.7270/Q2028S36
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50512793
PNG
(CHEMBL4586531)
Show SMILES O=C(NCCCCN1CCN(CC1)c1ccccc1)c1ccc(cc1)-c1ccsc1
Show InChI InChI=1S/C25H29N3OS/c29-25(22-10-8-21(9-11-22)23-12-19-30-20-23)26-13-4-5-14-27-15-17-28(18-16-27)24-6-2-1-3-7-24/h1-3,6-12,19-20H,4-5,13-18H2,(H,26,29)
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8n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D3 receptor expressed in HEK2...


Bioorg Med Chem Lett 29: 2690-2694 (2019)


Article DOI: null
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50512790
PNG
(CHEMBL4446350)
Show SMILES Clc1cccc(c1)N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1
Show InChI InChI=1S/C25H28ClN3OS/c26-23-4-3-5-24(18-23)29-15-13-28(14-16-29)12-2-1-11-27-25(30)21-8-6-20(7-9-21)22-10-17-31-19-22/h3-10,17-19H,1-2,11-16H2,(H,27,30)
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8.30n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D3 receptor expressed in HEK2...


Bioorg Med Chem Lett 29: 2690-2694 (2019)


Article DOI: null
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Mus musculus)
BDBM50096711
PNG
(CHEMBL320963 | Indole-1-carboxylic acid 1-aza-bicy...)
Show SMILES O=C(OC1CN2CCC1CC2)n1ccc2ccccc12
Show InChI InChI=1S/C16H18N2O2/c19-16(18-10-7-12-3-1-2-4-14(12)18)20-15-11-17-8-5-13(15)6-9-17/h1-4,7,10,13,15H,5-6,8-9,11H2
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8.80n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
In vitro Binding affinity towards alpha-7 nAChR was determined


Bioorg Med Chem Lett 11: 319-21 (2001)


Article DOI: 10.1016/s0960-894x(00)00670-3
BindingDB Entry DOI: 10.7270/Q2028S36
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50512810
PNG
(CHEMBL4565997)
Show SMILES Oc1ccc(cc1)N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1
Show InChI InChI=1S/C25H29N3O2S/c29-24-9-7-23(8-10-24)28-16-14-27(15-17-28)13-2-1-12-26-25(30)21-5-3-20(4-6-21)22-11-18-31-19-22/h3-11,18-19,29H,1-2,12-17H2,(H,26,30)
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14n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D3 receptor expressed in HEK2...


Bioorg Med Chem Lett 29: 2690-2694 (2019)


Article DOI: null
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50512808
PNG
(CHEMBL4438361)
Show SMILES CCCCN1CCN(CC1)c1ccccc1OCCF
Show InChI InChI=1S/C16H25FN2O/c1-2-3-9-18-10-12-19(13-11-18)15-6-4-5-7-16(15)20-14-8-17/h4-7H,2-3,8-14H2,1H3
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15n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D2L receptor expressed in HEK...


Bioorg Med Chem Lett 29: 2690-2694 (2019)


Article DOI: null
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50512804
PNG
(CHEMBL4459381)
Show SMILES Oc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1
Show InChI InChI=1S/C25H29N3O2S/c29-24-6-2-1-5-23(24)28-16-14-27(15-17-28)13-4-3-12-26-25(30)21-9-7-20(8-10-21)22-11-18-31-19-22/h1-2,5-11,18-19,29H,3-4,12-17H2,(H,26,30)
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17n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D3 receptor expressed in HEK2...


Bioorg Med Chem Lett 29: 2690-2694 (2019)


Article DOI: null
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50512796
PNG
(CHEMBL4570430)
Show SMILES COc1cccc(c1)N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1
Show InChI InChI=1S/C26H31N3O2S/c1-31-25-6-4-5-24(19-25)29-16-14-28(15-17-29)13-3-2-12-27-26(30)22-9-7-21(8-10-22)23-11-18-32-20-23/h4-11,18-20H,2-3,12-17H2,1H3,(H,27,30)
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18n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D3 receptor expressed in HEK2...


Bioorg Med Chem Lett 29: 2690-2694 (2019)


Article DOI: null
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50512791
PNG
(CHEMBL4577206)
Show SMILES COc1ccc(cc1)N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1
Show InChI InChI=1S/C26H31N3O2S/c1-31-25-10-8-24(9-11-25)29-17-15-28(16-18-29)14-3-2-13-27-26(30)22-6-4-21(5-7-22)23-12-19-32-20-23/h4-12,19-20H,2-3,13-18H2,1H3,(H,27,30)
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20n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D3 receptor expressed in HEK2...


Bioorg Med Chem Lett 29: 2690-2694 (2019)


Article DOI: null
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50512808
PNG
(CHEMBL4438361)
Show SMILES CCCCN1CCN(CC1)c1ccccc1OCCF
Show InChI InChI=1S/C16H25FN2O/c1-2-3-9-18-10-12-19(13-11-18)15-6-4-5-7-16(15)20-14-8-17/h4-7H,2-3,8-14H2,1H3
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22n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D3 receptor expressed in HEK2...


Bioorg Med Chem Lett 29: 2690-2694 (2019)


Article DOI: null
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50512788
PNG
(CHEMBL4438630)
Show SMILES Cc1cccc(c1)N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1
Show InChI InChI=1S/C26H31N3OS/c1-21-5-4-6-25(19-21)29-16-14-28(15-17-29)13-3-2-12-27-26(30)23-9-7-22(8-10-23)24-11-18-31-20-24/h4-11,18-20H,2-3,12-17H2,1H3,(H,27,30)
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22n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D3 receptor expressed in HEK2...


Bioorg Med Chem Lett 29: 2690-2694 (2019)


Article DOI: null
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50339685
PNG
(4-(Thiophen-3-yl)-N-(4-(4-(2-(2-fluoroethoxy)pheny...)
Show SMILES FCCOc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1
Show InChI InChI=1S/C27H32FN3O2S/c28-12-19-33-26-6-2-1-5-25(26)31-17-15-30(16-18-31)14-4-3-13-29-27(32)23-9-7-22(8-10-23)24-11-20-34-21-24/h1-2,5-11,20-21H,3-4,12-19H2,(H,29,32)
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28n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D3 receptor expressed in HEK2...


Bioorg Med Chem Lett 29: 2690-2694 (2019)


Article DOI: null
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50512809
PNG
(CHEMBL4442321)
Show SMILES Clc1ccc(cc1)N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1
Show InChI InChI=1S/C25H28ClN3OS/c26-23-7-9-24(10-8-23)29-16-14-28(15-17-29)13-2-1-12-27-25(30)21-5-3-20(4-6-21)22-11-18-31-19-22/h3-11,18-19H,1-2,12-17H2,(H,27,30)
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33n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D3 receptor expressed in HEK2...


Bioorg Med Chem Lett 29: 2690-2694 (2019)


Article DOI: null
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50512798
PNG
(CHEMBL4545775)
Show SMILES Cc1ccc(cc1)N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1
Show InChI InChI=1S/C26H31N3OS/c1-21-4-10-25(11-5-21)29-17-15-28(16-18-29)14-3-2-13-27-26(30)23-8-6-22(7-9-23)24-12-19-31-20-24/h4-12,19-20H,2-3,13-18H2,1H3,(H,27,30)
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36n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D3 receptor expressed in HEK2...


Bioorg Med Chem Lett 29: 2690-2694 (2019)


Article DOI: null
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50512803
PNG
(CHEMBL4567895)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1
Show InChI InChI=1S/C26H31N3O2S/c1-31-25-7-3-2-6-24(25)29-17-15-28(16-18-29)14-5-4-13-27-26(30)22-10-8-21(9-11-22)23-12-19-32-20-23/h2-3,6-12,19-20H,4-5,13-18H2,1H3,(H,27,30)
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39n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D2L receptor expressed in HEK...


Bioorg Med Chem Lett 29: 2690-2694 (2019)


Article DOI: null
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50512802
PNG
(CHEMBL4535174)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3ccc(cc3)-c3ccsc3)CC2)c1Cl
Show InChI InChI=1S/C25H27Cl2N3OS/c26-22-4-3-5-23(24(22)27)30-15-13-29(14-16-30)12-2-1-11-28-25(31)20-8-6-19(7-9-20)21-10-17-32-18-21/h3-10,17-18H,1-2,11-16H2,(H,28,31)
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63n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D2L receptor expressed in HEK...


Bioorg Med Chem Lett 29: 2690-2694 (2019)


Article DOI: null
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50512807
PNG
(CHEMBL4521525)
Show SMILES FC(F)(F)c1ccc(cc1)N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1
Show InChI InChI=1S/C26H28F3N3OS/c27-26(28,29)23-7-9-24(10-8-23)32-16-14-31(15-17-32)13-2-1-12-30-25(33)21-5-3-20(4-6-21)22-11-18-34-19-22/h3-11,18-19H,1-2,12-17H2,(H,30,33)
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78n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D3 receptor expressed in HEK2...


Bioorg Med Chem Lett 29: 2690-2694 (2019)


Article DOI: null
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50512799
PNG
(CHEMBL4571568)
Show SMILES O=C(NCCCCN1CCN(CC1)c1ccccc1C#N)c1ccc(cc1)-c1ccsc1
Show InChI InChI=1S/C26H28N4OS/c27-19-23-5-1-2-6-25(23)30-16-14-29(15-17-30)13-4-3-12-28-26(31)22-9-7-21(8-10-22)24-11-18-32-20-24/h1-2,5-11,18,20H,3-4,12-17H2,(H,28,31)
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93n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D2L receptor expressed in HEK...


Bioorg Med Chem Lett 29: 2690-2694 (2019)


Article DOI: null
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50512801
PNG
(CHEMBL4590192)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1
Show InChI InChI=1S/C26H28F3N3OS/c27-26(28,29)23-4-3-5-24(18-23)32-15-13-31(14-16-32)12-2-1-11-30-25(33)21-8-6-20(7-9-21)22-10-17-34-19-22/h3-10,17-19H,1-2,11-16H2,(H,30,33)
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100n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D2L receptor expressed in HEK...


Bioorg Med Chem Lett 29: 2690-2694 (2019)


Article DOI: null
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50512797
PNG
(CHEMBL4579251)
Show SMILES Oc1cccc(c1)N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1
Show InChI InChI=1S/C25H29N3O2S/c29-24-5-3-4-23(18-24)28-15-13-27(14-16-28)12-2-1-11-26-25(30)21-8-6-20(7-9-21)22-10-17-31-19-22/h3-10,17-19,29H,1-2,11-16H2,(H,26,30)
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140n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D2L receptor expressed in HEK...


Bioorg Med Chem Lett 29: 2690-2694 (2019)


Article DOI: null
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50512794
PNG
(CHEMBL4450777)
Show SMILES Clc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1
Show InChI InChI=1S/C25H28ClN3OS/c26-23-5-1-2-6-24(23)29-16-14-28(15-17-29)13-4-3-12-27-25(30)21-9-7-20(8-10-21)22-11-18-31-19-22/h1-2,5-11,18-19H,3-4,12-17H2,(H,27,30)
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169n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D2L receptor expressed in HEK...


Bioorg Med Chem Lett 29: 2690-2694 (2019)


Article DOI: null
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50512805
PNG
(CHEMBL4587635)
Show SMILES Cc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1
Show InChI InChI=1S/C26H31N3OS/c1-21-6-2-3-7-25(21)29-17-15-28(16-18-29)14-5-4-13-27-26(30)23-10-8-22(9-11-23)24-12-19-31-20-24/h2-3,6-12,19-20H,4-5,13-18H2,1H3,(H,27,30)
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190n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D2L receptor expressed in HEK...


Bioorg Med Chem Lett 29: 2690-2694 (2019)


Article DOI: null
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha3Beta2


(Homo sapiens (Human))
BDBM82070
PNG
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1
Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
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220n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
In vitro Binding affinity towards alpha-3 (PC12) nAChR was determined


Bioorg Med Chem Lett 11: 319-21 (2001)


Article DOI: 10.1016/s0960-894x(00)00670-3
BindingDB Entry DOI: 10.7270/Q2028S36
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50512800
PNG
(CHEMBL4476605)
Show SMILES FC(F)(F)c1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1
Show InChI InChI=1S/C26H28F3N3OS/c27-26(28,29)23-5-1-2-6-24(23)32-16-14-31(15-17-32)13-4-3-12-30-25(33)21-9-7-20(8-10-21)22-11-18-34-19-22/h1-2,5-11,18-19H,3-4,12-17H2,(H,30,33)
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261n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D2L receptor expressed in HEK...


Bioorg Med Chem Lett 29: 2690-2694 (2019)


Article DOI: null
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Mus musculus)
BDBM82070
PNG
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1
Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
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480n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
In vitro Binding affinity towards alpha-7 nAChR was determined


Bioorg Med Chem Lett 11: 319-21 (2001)


Article DOI: 10.1016/s0960-894x(00)00670-3
BindingDB Entry DOI: 10.7270/Q2028S36
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50512787
PNG
(CHEMBL4437341)
Show SMILES O=C(NCCCCN1CCN(CC1)c1cccc(c1)C#N)c1ccc(cc1)-c1ccsc1
Show InChI InChI=1S/C26H28N4OS/c27-19-21-4-3-5-25(18-21)30-15-13-29(14-16-30)12-2-1-11-28-26(31)23-8-6-22(7-9-23)24-10-17-32-20-24/h3-10,17-18,20H,1-2,11-16H2,(H,28,31)
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743n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D2L receptor expressed in HEK...


Bioorg Med Chem Lett 29: 2690-2694 (2019)


Article DOI: null
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50512795
PNG
(CHEMBL4438037)
Show SMILES Clc1ccc(N2CCN(CCCCNC(=O)c3ccc(cc3)-c3ccsc3)CC2)c(Cl)c1
Show InChI InChI=1S/C25H27Cl2N3OS/c26-22-7-8-24(23(27)17-22)30-14-12-29(13-15-30)11-2-1-10-28-25(31)20-5-3-19(4-6-20)21-9-16-32-18-21/h3-9,16-18H,1-2,10-15H2,(H,28,31)
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757n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D2L receptor expressed in HEK...


Bioorg Med Chem Lett 29: 2690-2694 (2019)


Article DOI: null
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens)
BDBM50512787
PNG
(CHEMBL4437341)
Show SMILES O=C(NCCCCN1CCN(CC1)c1cccc(c1)C#N)c1ccc(cc1)-c1ccsc1
Show InChI InChI=1S/C26H28N4OS/c27-19-21-4-3-5-25(18-21)30-15-13-29(14-16-30)12-2-1-11-28-26(31)23-8-6-22(7-9-23)24-10-17-32-20-24/h3-10,17-18,20H,1-2,11-16H2,(H,28,31)
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806n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from dopamine human D4 receptor expressed in HEK2...


Bioorg Med Chem Lett 29: 2690-2694 (2019)


Article DOI: null
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50512796
PNG
(CHEMBL4570430)
Show SMILES COc1cccc(c1)N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1
Show InChI InChI=1S/C26H31N3O2S/c1-31-25-6-4-5-24(19-25)29-16-14-28(15-17-29)13-3-2-12-27-26(30)22-9-7-21(8-10-22)23-11-18-32-20-23/h4-11,18-20H,2-3,12-17H2,1H3,(H,27,30)
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1.83E+3n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D2L receptor expressed in HEK...


Bioorg Med Chem Lett 29: 2690-2694 (2019)


Article DOI: null
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50512789
PNG
(CHEMBL4583609)
Show SMILES Clc1cc(Cl)cc(c1)N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1
Show InChI InChI=1S/C25H27Cl2N3OS/c26-22-15-23(27)17-24(16-22)30-12-10-29(11-13-30)9-2-1-8-28-25(31)20-5-3-19(4-6-20)21-7-14-32-18-21/h3-7,14-18H,1-2,8-13H2,(H,28,31)
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2.05E+3n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D2L receptor expressed in HEK...


Bioorg Med Chem Lett 29: 2690-2694 (2019)


Article DOI: null
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha3Beta2


(Homo sapiens (Human))
BDBM50096712
PNG
(3-(1H-Indole-3-carbonyloxy)-8,8-dimethyl-8-azonia-...)
Show SMILES C[N+]1(C)C2CCC1CC(C2)OC(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C18H22N2O2/c1-20(2)12-7-8-13(20)10-14(9-12)22-18(21)16-11-19-17-6-4-3-5-15(16)17/h3-6,11-14H,7-10H2,1-2H3/p+1
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2.30E+3n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
In vitro Binding affinity towards alpha-3 (PC12) nAChR was determined


Bioorg Med Chem Lett 11: 319-21 (2001)


Article DOI: 10.1016/s0960-894x(00)00670-3
BindingDB Entry DOI: 10.7270/Q2028S36
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50512806
PNG
(CHEMBL4438602)
Show SMILES O=C(NCCCCN1CCN(CC1)c1ccc(cc1)C#N)c1ccc(cc1)-c1ccsc1
Show InChI InChI=1S/C26H28N4OS/c27-19-21-3-9-25(10-4-21)30-16-14-29(15-17-30)13-2-1-12-28-26(31)23-7-5-22(6-8-23)24-11-18-32-20-24/h3-11,18,20H,1-2,12-17H2,(H,28,31)
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2.38E+3n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D3 receptor expressed in HEK2...


Bioorg Med Chem Lett 29: 2690-2694 (2019)


Article DOI: null
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50284961
PNG
((S)-2,8-Dimethyl-1-oxa-8-aza-spiro[4.5]decan-3-one...)
Show SMILES C[C@@H]1OC2(CC1=O)CCN(C)CC2
Show InChI InChI=1S/C10H17NO2/c1-8-9(12)7-10(13-8)3-5-11(2)6-4-10/h8H,3-7H2,1-2H3/t8-/m0/s1
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2.50E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its affinity towards Muscarinic acetylcholine receptor M2, using [3H]- N-methyl-scopolamine, a radioligand displacement as...


Bioorg Med Chem Lett 5: 1813-1818 (1995)


Article DOI: 10.1016/0960-894X(95)00301-9
BindingDB Entry DOI: 10.7270/Q27M07WJ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2


(Homo sapiens (Human))
BDBM50096713
PNG
(1H-Indole-3-carboxylic acid 1-aza-bicyclo[2.2.2]oc...)
Show SMILES O=C(OC1CN2CCC1CC2)c1c[nH]c2ccccc12
Show InChI InChI=1S/C16H18N2O2/c19-16(13-9-17-14-4-2-1-3-12(13)14)20-15-10-18-7-5-11(15)6-8-18/h1-4,9,11,15,17H,5-8,10H2
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2.60E+3n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
In vitro Binding affinity towards alpha-1-beta-1-gamma-delta nAChR was determined


Bioorg Med Chem Lett 11: 319-21 (2001)


Article DOI: 10.1016/s0960-894x(00)00670-3
BindingDB Entry DOI: 10.7270/Q2028S36
More data for this
Ligand-Target Pair
Acetylcholine receptor protein alpha chain/beta chain/delta chain /gamma chain


(Homo sapiens (Human))
BDBM50096712
PNG
(3-(1H-Indole-3-carbonyloxy)-8,8-dimethyl-8-azonia-...)
Show SMILES C[N+]1(C)C2CCC1CC(C2)OC(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C18H22N2O2/c1-20(2)12-7-8-13(20)10-14(9-12)22-18(21)16-11-19-17-6-4-3-5-15(16)17/h3-6,11-14H,7-10H2,1-2H3/p+1
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3.00E+3n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
In vitro Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 was determined


Bioorg Med Chem Lett 11: 319-21 (2001)


Article DOI: 10.1016/s0960-894x(00)00670-3
BindingDB Entry DOI: 10.7270/Q2028S36
More data for this
Ligand-Target Pair
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