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Compile Data Set for Download or QSAR

Found 1766 hits with Last Name = 'mach' and Initial = 'rh'   
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
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
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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Article
PubMed
0.0100n/an/an/an/an/an/an/an/a



University of North Texas

Curated by PDSP Ki Database




Synapse 38: 438-49 (2000)


Article DOI: 10.1002/1098-2396(20001215)38:4
BindingDB Entry DOI: 10.7270/Q2SN07HX
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50368742
PNG
(CHEMBL1169525)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CC2CCCC1N2Cc1ccc(F)cc1 |r|
Show InChI InChI=1S/C22H25ClFN3O2/c1-29-21-11-18(25)17(23)10-16(21)22(28)26-19-9-15-3-2-4-20(19)27(15)12-13-5-7-14(24)8-6-13/h5-8,10-11,15,19-20H,2-4,9,12,25H2,1H3,(H,26,28)/t15?,19-,20?/m0/s1
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0.0170n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of [125I]- NCQ 298 binding to D2 receptor of rat striatal tissue


J Med Chem 36: 3707-20 (1994)


BindingDB Entry DOI: 10.7270/Q2MK6DH1
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50042730
PNG
(4-Amino-5-chloro-N-[5-(4-fluoro-benzyl)-octahydro-...)
Show SMILES COc1cc(Br)cc(C(=O)NC2CC3CCCC(C2)N3Cc2ccc(F)cc2)c1OC |TLB:20:19:14.15.16:18.11.12,THB:10:11:14.15.16:19|
Show InChI InChI=1S/C24H28BrFN2O3/c1-30-22-11-16(25)10-21(23(22)31-2)24(29)27-18-12-19-4-3-5-20(13-18)28(19)14-15-6-8-17(26)9-7-15/h6-11,18-20H,3-5,12-14H2,1-2H3,(H,27,29)
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0.0200n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of [125I]- NCQ 298 binding to D2 receptor of rat striatal tissue


J Med Chem 36: 3707-20 (1994)


BindingDB Entry DOI: 10.7270/Q2MK6DH1
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50004808
PNG
(3-Benzyl-8-[4-(4-fluoro-phenyl)-4-oxo-butyl]-1-phe...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CN(Cc1ccccc1)C2=O)c1ccccc1
Show InChI InChI=1S/C30H32FN3O2/c31-26-15-13-25(14-16-26)28(35)12-7-19-32-20-17-30(18-21-32)29(36)33(22-24-8-3-1-4-9-24)23-34(30)27-10-5-2-6-11-27/h1-6,8-11,13-16H,7,12,17-23H2
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0.0230n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from dopamine receptor D2


J Med Chem 35: 423-30 (1992)


BindingDB Entry DOI: 10.7270/Q2B85725
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50004801
PNG
(3-(3-Fluoro-benzyl)-8-[4-(4-fluoro-phenyl)-4-oxo-b...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CN(Cc1cccc(F)c1)C2=O)c1ccccc1
Show InChI InChI=1S/C30H31F2N3O2/c31-25-13-11-24(12-14-25)28(36)10-5-17-33-18-15-30(16-19-33)29(37)34(21-23-6-4-7-26(32)20-23)22-35(30)27-8-2-1-3-9-27/h1-4,6-9,11-14,20H,5,10,15-19,21-22H2
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0.0230n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from dopamine receptor D2


J Med Chem 35: 423-30 (1992)


BindingDB Entry DOI: 10.7270/Q2B85725
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50456207
PNG
(CHEMBL2112607)
Show SMILES COc1cccc(C(=O)NC2CC3CCCC(C2)N3Cc2ccc(F)cc2)c1OC |TLB:19:18:13.14.15:17.10.11,THB:9:10:13.14.15:18|
Show InChI InChI=1S/C24H29FN2O3/c1-29-22-8-4-7-21(23(22)30-2)24(28)26-18-13-19-5-3-6-20(14-18)27(19)15-16-9-11-17(25)12-10-16/h4,7-12,18-20H,3,5-6,13-15H2,1-2H3,(H,26,28)
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0.0280n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of [125I]- NCQ 298 binding to D2 receptor of rat striatal tissue


J Med Chem 36: 3707-20 (1994)


BindingDB Entry DOI: 10.7270/Q2MK6DH1
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50004819
PNG
(8-[4-(4-Fluoro-phenyl)-4-oxo-butyl]-1-phenyl-3-pro...)
Show SMILES CCCN1CN(c2ccccc2)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O
Show InChI InChI=1S/C26H32FN3O2/c1-2-16-29-20-30(23-7-4-3-5-8-23)26(25(29)32)14-18-28(19-15-26)17-6-9-24(31)21-10-12-22(27)13-11-21/h3-5,7-8,10-13H,2,6,9,14-20H2,1H3
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0.0290n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from dopamine receptor D2


J Med Chem 35: 423-30 (1992)


BindingDB Entry DOI: 10.7270/Q2B85725
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50004817
PNG
(8-[4-(4-Fluoro-phenyl)-4-oxo-butyl]-3-(2-methyl-be...)
Show SMILES Cc1ccccc1CN1CN(c2ccccc2)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O
Show InChI InChI=1S/C31H34FN3O2/c1-24-8-5-6-9-26(24)22-34-23-35(28-10-3-2-4-11-28)31(30(34)37)17-20-33(21-18-31)19-7-12-29(36)25-13-15-27(32)16-14-25/h2-6,8-11,13-16H,7,12,17-23H2,1H3
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0.0330n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from dopamine receptor D2


J Med Chem 35: 423-30 (1992)


BindingDB Entry DOI: 10.7270/Q2B85725
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50042733
PNG
((9-Benzyl-3,9-diaza-bicyclo[3.3.1]non-3-yl)-(5-bro...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)N1CC2CCCC(C1)N2Cc1ccccc1 |TLB:10:12:15.16.17:20,21:20:15.16.17:19.12.13|
Show InChI InChI=1S/C22H26ClN3O2/c1-28-21-11-20(24)19(23)10-18(21)22(27)25-13-16-8-5-9-17(14-25)26(16)12-15-6-3-2-4-7-15/h2-4,6-7,10-11,16-17H,5,8-9,12-14,24H2,1H3
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0.0330n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of [125I]- NCQ 298 binding to D2 receptor of rat striatal tissue


J Med Chem 36: 3707-20 (1994)


BindingDB Entry DOI: 10.7270/Q2MK6DH1
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50004803
PNG
(8-[4-(4-Fluoro-phenyl)-4-oxo-butyl]-3-phenethyl-1-...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CN(CCc1ccccc1)C2=O)c1ccccc1
Show InChI InChI=1S/C31H34FN3O2/c32-27-15-13-26(14-16-27)29(36)12-7-20-33-22-18-31(19-23-33)30(37)34(21-17-25-8-3-1-4-9-25)24-35(31)28-10-5-2-6-11-28/h1-6,8-11,13-16H,7,12,17-24H2
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0.0350n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from dopamine receptor D2


J Med Chem 35: 423-30 (1992)


BindingDB Entry DOI: 10.7270/Q2B85725
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50042732
PNG
(4-Amino-N-(9-benzyl-9-aza-bicyclo[3.3.1]non-3-yl)-...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CC2CCCC(C1)N2Cc1ccccc1 |THB:12:13:21:16.18.17|
Show InChI InChI=1S/C23H28ClN3O2/c1-29-22-13-21(25)20(24)12-19(22)23(28)26-16-10-17-8-5-9-18(11-16)27(17)14-15-6-3-2-4-7-15/h2-4,6-7,12-13,16-18H,5,8-11,14,25H2,1H3,(H,26,28)
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0.0360n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of [125I]- NCQ 298 binding to D2 receptor of rat striatal tissue


J Med Chem 36: 3707-20 (1994)


BindingDB Entry DOI: 10.7270/Q2MK6DH1
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50004805
PNG
(3-Butyl-8-[4-(4-fluoro-phenyl)-4-oxo-butyl]-1-phen...)
Show SMILES CCCCN1CN(c2ccccc2)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O
Show InChI InChI=1S/C27H34FN3O2/c1-2-3-18-30-21-31(24-8-5-4-6-9-24)27(26(30)33)15-19-29(20-16-27)17-7-10-25(32)22-11-13-23(28)14-12-22/h4-6,8-9,11-14H,2-3,7,10,15-21H2,1H3
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0.0360n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from dopamine receptor D2


J Med Chem 35: 423-30 (1992)


BindingDB Entry DOI: 10.7270/Q2B85725
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50456208
PNG
(CHEMBL2112605)
Show SMILES COc1cccc(C(=O)NC2CC3CCCC(C2)N3Cc2ccccc2)c1OC |TLB:19:18:13.14.15:17.10.11,THB:9:10:13.14.15:18|
Show InChI InChI=1S/C24H30N2O3/c1-28-22-13-7-12-21(23(22)29-2)24(27)25-18-14-19-10-6-11-20(15-18)26(19)16-17-8-4-3-5-9-17/h3-5,7-9,12-13,18-20H,6,10-11,14-16H2,1-2H3,(H,25,27)
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0.0380n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of [125I]- NCQ 298 binding to D2 receptor of rat striatal tissue


J Med Chem 36: 3707-20 (1994)


BindingDB Entry DOI: 10.7270/Q2MK6DH1
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50004807
PNG
(8-[4-(4-Fluoro-phenyl)-4-oxo-butyl]-3-isobutyl-1-p...)
Show SMILES CC(C)CN1CN(c2ccccc2)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O
Show InChI InChI=1S/C27H34FN3O2/c1-21(2)19-30-20-31(24-7-4-3-5-8-24)27(26(30)33)14-17-29(18-15-27)16-6-9-25(32)22-10-12-23(28)13-11-22/h3-5,7-8,10-13,21H,6,9,14-20H2,1-2H3
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0.0390n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from dopamine receptor D2


J Med Chem 35: 423-30 (1992)


BindingDB Entry DOI: 10.7270/Q2B85725
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50099807
PNG
(CHEMBL54866 | N-(9-Benzyl-9-aza-bicyclo[3.3.1]non-...)
Show SMILES COc1cc(I)cc(C(=O)NC2CC3CCCC(C2)N3Cc2ccccc2)c1OC |TLB:10:11:19:14.16.15|
Show InChI InChI=1S/C24H29IN2O3/c1-29-22-12-17(25)11-21(23(22)30-2)24(28)26-18-13-19-9-6-10-20(14-18)27(19)15-16-7-4-3-5-8-16/h3-5,7-8,11-12,18-20H,6,9-10,13-15H2,1-2H3,(H,26,28)
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0.0400n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D3 expressed in Sf9 cells using [125I]-IABN the radioligand.


J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50099821
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (9...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NC1CC2CCCC(C1)N2Cc1ccccc1 |THB:15:16:24:19.21.20,25:24:16.17.23:19.21.20|
Show InChI InChI=1S/C27H29BrN2O2/c1-32-26-23-13-6-5-12-22(23)25(28)16-24(26)27(31)29-19-14-20-10-7-11-21(15-19)30(20)17-18-8-3-2-4-9-18/h2-6,8-9,12-13,16,19-21H,7,10-11,14-15,17H2,1H3,(H,29,31)
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0.0400n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D3 expressed in Sf9 cells using [125I]-IABN the radioligand.


J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50004816
PNG
(3-(2-Fluoro-benzyl)-8-[4-(4-fluoro-phenyl)-4-oxo-b...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CN(Cc1ccccc1F)C2=O)c1ccccc1
Show InChI InChI=1S/C30H31F2N3O2/c31-25-14-12-23(13-15-25)28(36)11-6-18-33-19-16-30(17-20-33)29(37)34(21-24-7-4-5-10-27(24)32)22-35(30)26-8-2-1-3-9-26/h1-5,7-10,12-15H,6,11,16-22H2
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0.0430n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from dopamine receptor D2


J Med Chem 35: 423-30 (1992)


BindingDB Entry DOI: 10.7270/Q2B85725
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50004810
PNG
(8-[4-(4-Fluoro-phenyl)-4-oxo-butyl]-3-(2-methoxy-b...)
Show SMILES COc1ccccc1CN1CN(c2ccccc2)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O
Show InChI InChI=1S/C31H34FN3O3/c1-38-29-12-6-5-8-25(29)22-34-23-35(27-9-3-2-4-10-27)31(30(34)37)17-20-33(21-18-31)19-7-11-28(36)24-13-15-26(32)16-14-24/h2-6,8-10,12-16H,7,11,17-23H2,1H3
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0.0470n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2 by displacing [3H]-spiperone


J Med Chem 35: 423-30 (1992)


BindingDB Entry DOI: 10.7270/Q2B85725
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50390197
PNG
(CHEMBL1917286)
Show SMILES FCCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1
Show InChI InChI=1S/C22H25FN2O2/c23-9-14-26-20-7-5-18(6-8-20)16-24-10-12-25(13-11-24)17-21-15-19-3-1-2-4-22(19)27-21/h1-8,15H,9-14,16-17H2
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0.0500n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in guinea pig brain homogenate


Bioorg Med Chem Lett 22: 5493-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.026
BindingDB Entry DOI: 10.7270/Q2FF3TDK
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50008735
PNG
((+)-3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,...)
Show SMILES CC(C)(C)[C@]1(O)CCN2C[C@H]3c4ccccc4CCc4cccc([C@@H]2C1)c34
Show InChI InChI=1S/C25H31NO/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25/h4-10,21-22,27H,11-16H2,1-3H3/t21-,22-,25-/m0/s1
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0.0500n/an/an/an/an/an/an/an/a



University of North Texas

Curated by PDSP Ki Database




Synapse 38: 438-49 (2000)


Article DOI: 10.1002/1098-2396(20001215)38:4
BindingDB Entry DOI: 10.7270/Q2SN07HX
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50099807
PNG
(CHEMBL54866 | N-(9-Benzyl-9-aza-bicyclo[3.3.1]non-...)
Show SMILES COc1cc(I)cc(C(=O)NC2CC3CCCC(C2)N3Cc2ccccc2)c1OC |TLB:10:11:19:14.16.15|
Show InChI InChI=1S/C24H29IN2O3/c1-29-22-12-17(25)11-21(23(22)30-2)24(28)26-18-13-19-9-6-10-20(14-18)27(19)15-16-7-4-3-5-8-16/h3-5,7-8,11-12,18-20H,6,9-10,13-15H2,1-2H3,(H,26,28)
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0.0500n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D2 long expressed in Sf9 cells using [125I]-IABN radioligand.


J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Torpedo californica)
BDBM50039613
PNG
((2R,3R)-3-(4-Phenyl-piperidin-1-yl)-1,2,3,4-tetrah...)
Show SMILES O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(CC1)c1ccccc1 |r|
Show InChI InChI=1S/C21H25NO/c23-21-15-19-9-5-4-8-18(19)14-20(21)22-12-10-17(11-13-22)16-6-2-1-3-7-16/h1-9,17,20-21,23H,10-15H2/t20-,21-/m1/s1
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0.0550n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of [3H]vesamicol from VAChT in Torpedo californica cholinergic synaptic vesicles


J Med Chem 53: 2825-35 (2010)


Article DOI: 10.1021/jm9017916
BindingDB Entry DOI: 10.7270/Q2542PJR
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50039613
PNG
((2R,3R)-3-(4-Phenyl-piperidin-1-yl)-1,2,3,4-tetrah...)
Show SMILES O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(CC1)c1ccccc1 |r|
Show InChI InChI=1S/C21H25NO/c23-21-15-19-9-5-4-8-18(19)14-20(21)22-12-10-17(11-13-22)16-6-2-1-3-7-16/h1-9,17,20-21,23H,10-15H2/t20-,21-/m1/s1
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0.0550n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding to vesicular acetylcholine transporter of torpedo synaptic vesicles


J Med Chem 40: 3905-14 (1998)


Article DOI: 10.1021/jm970326r
BindingDB Entry DOI: 10.7270/Q2KK99WJ
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50039613
PNG
((2R,3R)-3-(4-Phenyl-piperidin-1-yl)-1,2,3,4-tetrah...)
Show SMILES O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(CC1)c1ccccc1 |r|
Show InChI InChI=1S/C21H25NO/c23-21-15-19-9-5-4-8-18(19)14-20(21)22-12-10-17(11-13-22)16-6-2-1-3-7-16/h1-9,17,20-21,23H,10-15H2/t20-,21-/m1/s1
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0.0550n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]vesamicol from human vesicular acetylcholine transporter expressed in rat PC12 cells by liquid scintillation spectrometry


J Med Chem 52: 1358-69 (2009)


Article DOI: 10.1021/jm8012344
BindingDB Entry DOI: 10.7270/Q26W9B3B
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50004818
PNG
(3-Ethyl-8-[4-(4-fluoro-phenyl)-4-oxo-butyl]-1-phen...)
Show SMILES CCN1CN(c2ccccc2)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O
Show InChI InChI=1S/C25H30FN3O2/c1-2-28-19-29(22-7-4-3-5-8-22)25(24(28)31)14-17-27(18-15-25)16-6-9-23(30)20-10-12-21(26)13-11-20/h3-5,7-8,10-13H,2,6,9,14-19H2,1H3
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0.0570n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2 by displacing [3H]-spiperone


J Med Chem 35: 423-30 (1992)


BindingDB Entry DOI: 10.7270/Q2B85725
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
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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0.0580n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from dopamine receptor D2


J Med Chem 35: 423-30 (1992)


BindingDB Entry DOI: 10.7270/Q2B85725
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(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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0.0600n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL




J Med Chem 60: 9905-9910 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01248
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50004802
PNG
(8-[4-(4-Fluoro-phenyl)-4-oxo-butyl]-3-pentyl-1-phe...)
Show SMILES CCCCCN1CN(c2ccccc2)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O
Show InChI InChI=1S/C28H36FN3O2/c1-2-3-7-19-31-22-32(25-9-5-4-6-10-25)28(27(31)34)16-20-30(21-17-28)18-8-11-26(33)23-12-14-24(29)15-13-23/h4-6,9-10,12-15H,2-3,7-8,11,16-22H2,1H3
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0.0620n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from dopamine receptor D2


J Med Chem 35: 423-30 (1992)


BindingDB Entry DOI: 10.7270/Q2B85725
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50004815
PNG
(8-[4-(4-Fluoro-phenyl)-4-oxo-butyl]-3-(3-methyl-bu...)
Show SMILES CC(C)CCN1CN(c2ccccc2)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O
Show InChI InChI=1S/C28H36FN3O2/c1-22(2)14-18-31-21-32(25-7-4-3-5-8-25)28(27(31)34)15-19-30(20-16-28)17-6-9-26(33)23-10-12-24(29)13-11-23/h3-5,7-8,10-13,22H,6,9,14-21H2,1-2H3
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0.0630n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from dopamine receptor D2


J Med Chem 35: 423-30 (1992)


BindingDB Entry DOI: 10.7270/Q2B85725
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50004804
PNG
(8-[4-(4-Fluoro-phenyl)-4-oxo-butyl]-3-(2-iodo-benz...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CN(Cc1ccccc1I)C2=O)c1ccccc1
Show InChI InChI=1S/C30H31FIN3O2/c31-25-14-12-23(13-15-25)28(36)11-6-18-33-19-16-30(17-20-33)29(37)34(21-24-7-4-5-10-27(24)32)22-35(30)26-8-2-1-3-9-26/h1-5,7-10,12-15H,6,11,16-22H2
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0.0630n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2 by displacing [3H]-spiperone


J Med Chem 35: 423-30 (1992)


BindingDB Entry DOI: 10.7270/Q2B85725
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50004806
PNG
(8-[4-(4-Fluoro-phenyl)-4-oxo-butyl]-3-(4-methyl-be...)
Show SMILES Cc1ccc(CN2CN(c3ccccc3)C3(CCN(CCCC(=O)c4ccc(F)cc4)CC3)C2=O)cc1
Show InChI InChI=1S/C31H34FN3O2/c1-24-9-11-25(12-10-24)22-34-23-35(28-6-3-2-4-7-28)31(30(34)37)17-20-33(21-18-31)19-5-8-29(36)26-13-15-27(32)16-14-26/h2-4,6-7,9-16H,5,8,17-23H2,1H3
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0.0670n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2 by displacing [3H]-spiperone


J Med Chem 35: 423-30 (1992)


BindingDB Entry DOI: 10.7270/Q2B85725
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50004800
PNG
(3-(4-Fluoro-benzyl)-8-[4-(4-fluoro-phenyl)-4-oxo-b...)
Show SMILES Fc1ccc(CN2CN(c3ccccc3)C3(CCN(CCCC(=O)c4ccc(F)cc4)CC3)C2=O)cc1
Show InChI InChI=1S/C30H31F2N3O2/c31-25-12-8-23(9-13-25)21-34-22-35(27-5-2-1-3-6-27)30(29(34)37)16-19-33(20-17-30)18-4-7-28(36)24-10-14-26(32)15-11-24/h1-3,5-6,8-15H,4,7,16-22H2
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0.0690n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from dopamine receptor D2


J Med Chem 35: 423-30 (1992)


BindingDB Entry DOI: 10.7270/Q2B85725
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50042731
PNG
(5-Bromo-N-[1-(4-fluoro-benzyl)-piperidin-4-yl]-2,3...)
Show SMILES COc1cc(Br)cc(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)c1OC
Show InChI InChI=1S/C21H24BrFN2O3/c1-27-19-12-15(22)11-18(20(19)28-2)21(26)24-17-7-9-25(10-8-17)13-14-3-5-16(23)6-4-14/h3-6,11-12,17H,7-10,13H2,1-2H3,(H,24,26)
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0.0700n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of [125I]- NCQ 298 binding to D2 receptor of rat striatal tissue


J Med Chem 36: 3707-20 (1994)


BindingDB Entry DOI: 10.7270/Q2MK6DH1
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50349871
PNG
(CHEMBL1813595)
Show SMILES FCCOc1ccccc1N1CCN(CCCCOc2ccc3ccc(=O)[nH]c3c2)CC1
Show InChI InChI=1S/C25H30FN3O3/c26-11-18-32-24-6-2-1-5-23(24)29-15-13-28(14-16-29)12-3-4-17-31-21-9-7-20-8-10-25(30)27-22(20)19-21/h1-2,5-10,19H,3-4,11-18H2,(H,27,30)
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0.0700n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125I]ABN from human recombinant D2L receptor expressed in HEK cells after 60 mins by gamma counter


Bioorg Med Chem 19: 3502-11 (2011)


Article DOI: 10.1016/j.bmc.2011.04.021
BindingDB Entry DOI: 10.7270/Q25X2990
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50004812
PNG
(8-[4-(4-Fluoro-phenyl)-4-oxo-butyl]-3-(4-methoxy-b...)
Show SMILES COc1ccc(CN2CN(c3ccccc3)C3(CCN(CCCC(=O)c4ccc(F)cc4)CC3)C2=O)cc1
Show InChI InChI=1S/C31H34FN3O3/c1-38-28-15-9-24(10-16-28)22-34-23-35(27-6-3-2-4-7-27)31(30(34)37)17-20-33(21-18-31)19-5-8-29(36)25-11-13-26(32)14-12-25/h2-4,6-7,9-16H,5,8,17-23H2,1H3
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0.0870n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2 by displacing [3H]-spiperone


J Med Chem 35: 423-30 (1992)


BindingDB Entry DOI: 10.7270/Q2B85725
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50004819
PNG
(8-[4-(4-Fluoro-phenyl)-4-oxo-butyl]-1-phenyl-3-pro...)
Show SMILES CCCN1CN(c2ccccc2)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O
Show InChI InChI=1S/C26H32FN3O2/c1-2-16-29-20-30(23-7-4-3-5-8-23)26(25(29)32)14-18-28(19-15-26)17-6-9-24(31)21-10-12-22(27)13-11-21/h3-5,7-8,10-13H,2,6,9,14-20H2,1H3
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0.0960n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL




J Med Chem 35: 423-30 (1992)


BindingDB Entry DOI: 10.7270/Q2B85725
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50390205
PNG
(CHEMBL2069863)
Show SMILES FCCOc1ccc(CN2CCCN(Cc3cc4ccccc4o3)CC2)cc1
Show InChI InChI=1S/C23H27FN2O2/c24-10-15-27-21-8-6-19(7-9-21)17-25-11-3-12-26(14-13-25)18-22-16-20-4-1-2-5-23(20)28-22/h1-2,4-9,16H,3,10-15,17-18H2
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0.100n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in guinea pig brain homogenate


Bioorg Med Chem Lett 22: 5493-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.026
BindingDB Entry DOI: 10.7270/Q2FF3TDK
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50004813
PNG
(8-[4-(4-Fluoro-phenyl)-4-oxo-butyl]-3-methyl-1-phe...)
Show SMILES CN1CN(c2ccccc2)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O
Show InChI InChI=1S/C24H28FN3O2/c1-26-18-28(21-6-3-2-4-7-21)24(23(26)30)13-16-27(17-14-24)15-5-8-22(29)19-9-11-20(25)12-10-19/h2-4,6-7,9-12H,5,8,13-18H2,1H3
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0.118n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2 by displacing [3H]-spiperone


J Med Chem 35: 423-30 (1992)


BindingDB Entry DOI: 10.7270/Q2B85725
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50004809
PNG
(8-[4-(4-Fluoro-phenyl)-4-oxo-butyl]-3-(4-nitro-ben...)
Show SMILES [O-][N+](=O)c1ccc(CN2CN(c3ccccc3)C3(CCN(CCCC(=O)c4ccc(F)cc4)CC3)C2=O)cc1
Show InChI InChI=1S/C30H31FN4O4/c31-25-12-10-24(11-13-25)28(36)7-4-18-32-19-16-30(17-20-32)29(37)33(22-34(30)26-5-2-1-3-6-26)21-23-8-14-27(15-9-23)35(38)39/h1-3,5-6,8-15H,4,7,16-22H2
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0.119n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2 by displacing [3H]-spiperone


J Med Chem 35: 423-30 (1992)


BindingDB Entry DOI: 10.7270/Q2B85725
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50004814
PNG
(8-[4-(4-Fluoro-phenyl)-4-oxo-butyl]-3-(2-nitro-ben...)
Show SMILES [O-][N+](=O)c1ccccc1CN1CN(c2ccccc2)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O
Show InChI InChI=1S/C30H31FN4O4/c31-25-14-12-23(13-15-25)28(36)11-6-18-32-19-16-30(17-20-32)29(37)33(22-34(30)26-8-2-1-3-9-26)21-24-7-4-5-10-27(24)35(38)39/h1-5,7-10,12-15H,6,11,16-22H2
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0.120n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2 by displacing [3H]-spiperone


J Med Chem 35: 423-30 (1992)


BindingDB Entry DOI: 10.7270/Q2B85725
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50390207
PNG
(CHEMBL2069865)
Show SMILES FCCCOc1ccc(CN2CCCN(Cc3cc4ccccc4o3)CC2)cc1
Show InChI InChI=1S/C24H29FN2O2/c25-11-3-16-28-22-9-7-20(8-10-22)18-26-12-4-13-27(15-14-26)19-23-17-21-5-1-2-6-24(21)29-23/h1-2,5-10,17H,3-4,11-16,18-19H2
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0.120n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in guinea pig brain homogenate


Bioorg Med Chem Lett 22: 5493-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.026
BindingDB Entry DOI: 10.7270/Q2FF3TDK
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50004807
PNG
(8-[4-(4-Fluoro-phenyl)-4-oxo-butyl]-3-isobutyl-1-p...)
Show SMILES CC(C)CN1CN(c2ccccc2)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O
Show InChI InChI=1S/C27H34FN3O2/c1-21(2)19-30-20-31(24-7-4-3-5-8-24)27(26(30)33)14-17-29(18-15-27)16-6-9-25(32)22-10-12-23(28)13-11-22/h3-5,7-8,10-13,21H,6,9,14-20H2,1-2H3
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0.130n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL




J Med Chem 35: 423-30 (1992)


BindingDB Entry DOI: 10.7270/Q2B85725
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50039604
PNG
((+)-1''-(3-Iodo-benzyl)-4-phenyl-[1,3'']bipiperidi...)
Show SMILES O[C@@H]1CCN(Cc2cccc(I)c2)C[C@H]1N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C23H29IN2O/c24-21-8-4-5-18(15-21)16-25-12-11-23(27)22(17-25)26-13-9-20(10-14-26)19-6-2-1-3-7-19/h1-8,15,20,22-23,27H,9-14,16-17H2/t22-,23-/m1/s1
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0.130n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of [3H]vesamicol from Vesicular Acetylcholine Transporter (VAChT)


J Med Chem 42: 2862-9 (1999)


Article DOI: 10.1021/jm980560x
BindingDB Entry DOI: 10.7270/Q2542MS2
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50039604
PNG
((+)-1''-(3-Iodo-benzyl)-4-phenyl-[1,3'']bipiperidi...)
Show SMILES O[C@@H]1CCN(Cc2cccc(I)c2)C[C@H]1N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C23H29IN2O/c24-21-8-4-5-18(15-21)16-25-12-11-23(27)22(17-25)26-13-9-20(10-14-26)19-6-2-1-3-7-19/h1-8,15,20,22-23,27H,9-14,16-17H2/t22-,23-/m1/s1
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0.130n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding to vesicular acetylcholine transporter of torpedo synaptic vesicles


J Med Chem 40: 3905-14 (1998)


Article DOI: 10.1021/jm970326r
BindingDB Entry DOI: 10.7270/Q2KK99WJ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50349870
PNG
(CHEMBL1813594)
Show SMILES COc1ccccc1N1CCN(CCCCOc2ccc3ccc(=O)[nH]c3c2)CC1
Show InChI InChI=1S/C24H29N3O3/c1-29-23-7-3-2-6-22(23)27-15-13-26(14-16-27)12-4-5-17-30-20-10-8-19-9-11-24(28)25-21(19)18-20/h2-3,6-11,18H,4-5,12-17H2,1H3,(H,25,28)
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0.140n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125I]ABN from human recombinant D2L receptor expressed in HEK cells after 60 mins by gamma counter


Bioorg Med Chem 19: 3502-11 (2011)


Article DOI: 10.1016/j.bmc.2011.04.021
BindingDB Entry DOI: 10.7270/Q25X2990
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
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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0.149n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibitory constant against binding of [125I]- IBZM to rat striatal membrane


J Med Chem 31: 1039-43 (1988)


BindingDB Entry DOI: 10.7270/Q2C24X1V
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50390206
PNG
(CHEMBL2069864)
Show SMILES CCCOc1ccc(CN2CCCN(Cc3cc4ccccc4o3)CC2)cc1
Show InChI InChI=1S/C24H30N2O2/c1-2-16-27-22-10-8-20(9-11-22)18-25-12-5-13-26(15-14-25)19-23-17-21-6-3-4-7-24(21)28-23/h3-4,6-11,17H,2,5,12-16,18-19H2,1H3
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0.152n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in guinea pig brain homogenate


Bioorg Med Chem Lett 22: 5493-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.026
BindingDB Entry DOI: 10.7270/Q2FF3TDK
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50040079
PNG
(CHEMBL308524 | N-(1-Ethyl-pyrrolidin-2-ylmethyl)-2...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(I)cc(OC)c1OC
Show InChI InChI=1S/C16H23IN2O4/c1-4-19-7-5-6-10(19)9-18-16(21)13-14(20)11(17)8-12(22-2)15(13)23-3/h8,10,20H,4-7,9H2,1-3H3,(H,18,21)/t10-/m0/s1
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0.160n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
In vitro binding affinity on D3 receptor is inhibition of binding of [125I]- NCQ 298 to Sf9 cells infected with recombinant baculovirus


J Med Chem 36: 3707-20 (1994)


BindingDB Entry DOI: 10.7270/Q2MK6DH1
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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0.170n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125I]-IABN from human D3 receptor transfected in human HEK 293 cells by gamma-counting


J Med Chem 54: 1555-64 (2011)


Article DOI: 10.1021/jm101323b
BindingDB Entry DOI: 10.7270/Q2WD40W0
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50324097
PNG
(CHEMBL1214831 | N-(Benzofuran-2-ylmethyl)-N'-(4'-e...)
Show SMILES CCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1
Show InChI InChI=1S/C22H26N2O2/c1-2-25-20-9-7-18(8-10-20)16-23-11-13-24(14-12-23)17-21-15-19-5-3-4-6-22(19)26-21/h3-10,15H,2,11-14,16-17H2,1H3
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0.180n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in guinea pig brain homogenate


Bioorg Med Chem Lett 22: 5493-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.026
BindingDB Entry DOI: 10.7270/Q2FF3TDK
More data for this
Ligand-Target Pair
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