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Compile Data Set for Download or QSAR

Found 50 hits with Last Name = 'surber' and Initial = 'b'   
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 receptors; D2 & D4


(Homo sapiens (Human))
BDBM50153255
PNG
(2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-N-m-tolyl-...)
Show SMILES COc1ccccc1N1CCN(CC(=O)Nc2cccc(C)c2)CC1
Show InChI InChI=1S/C20H25N3O2/c1-16-6-5-7-17(14-16)21-20(24)15-22-10-12-23(13-11-22)18-8-3-4-9-19(18)25-2/h3-9,14H,10-13,15H2,1-2H3,(H,21,24)
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0.700n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [3H]-spiperone binding to human Dopamine receptor D4.4 allele


Bioorg Med Chem Lett 14: 5095-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.068
BindingDB Entry DOI: 10.7270/Q23X863Q
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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1.40n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [3H]-spiperone binding to human Dopamine receptor D4.4


Bioorg Med Chem Lett 14: 5095-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.068
BindingDB Entry DOI: 10.7270/Q23X863Q
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50153255
PNG
(2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-N-m-tolyl-...)
Show SMILES COc1ccccc1N1CCN(CC(=O)Nc2cccc(C)c2)CC1
Show InChI InChI=1S/C20H25N3O2/c1-16-6-5-7-17(14-16)21-20(24)15-22-10-12-23(13-11-22)18-8-3-4-9-19(18)25-2/h3-9,14H,10-13,15H2,1-2H3,(H,21,24)
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1.80n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [3H]-6b binding to human Dopamine receptor D4.4


Bioorg Med Chem Lett 14: 5095-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.068
BindingDB Entry DOI: 10.7270/Q23X863Q
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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1.90n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [3H]-6b binding to human Dopamine receptor D4.4


Bioorg Med Chem Lett 14: 5095-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.068
BindingDB Entry DOI: 10.7270/Q23X863Q
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50153259
PNG
(2-[4-(4-[3H]-2-cyanophenyl)piperazinyl]-N-(2,4,6-[...)
Show SMILES Cc1cccc(NC(=O)CN2CCN(CC2)c2ccccc2C#N)c1
Show InChI InChI=1S/C20H22N4O/c1-16-5-4-7-18(13-16)22-20(25)15-23-9-11-24(12-10-23)19-8-3-2-6-17(19)14-21/h2-8,13H,9-12,15H2,1H3,(H,22,25)
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2.70n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [3H]-spiperone binding to human Dopamine receptor D4.4


Bioorg Med Chem Lett 14: 5095-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.068
BindingDB Entry DOI: 10.7270/Q23X863Q
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20458
PNG
(1-[(1R)-5-tert-butyl-2,3-dihydro-1H-inden-1-yl]-3-...)
Show SMILES CC(C)(C)c1ccc2[C@@H](CCc2c1)NC(=O)Nc1cccc2cnccc12 |r|
Show InChI InChI=1S/C23H25N3O/c1-23(2,3)17-8-9-18-15(13-17)7-10-21(18)26-22(27)25-20-6-4-5-16-14-24-12-11-19(16)20/h4-6,8-9,11-14,21H,7,10H2,1-3H3,(H2,25,26,27)/t21-/m1/s1
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7 -46.5n/an/a 5n/an/a7.425



Abbott Laboratories



Assay Description
The hTRPV1-expressing CHO cell membranes were incubated with [3H]A-778317 and test compounds to establish equilibrium. After incubation was terminate...


J Pharmacol Exp Ther 323: 285-93 (2007)


Article DOI: 10.1124/jpet.107.124305
BindingDB Entry DOI: 10.7270/Q28K77B0
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50153260
PNG
(2-[4-(4-Bromo-2-cyano-phenyl)-piperazin-1-yl]-N-(4...)
Show SMILES Cc1cc(NC(=O)CN2CCN(CC2)c2ccc(Br)cc2C#N)ccc1Br
Show InChI InChI=1S/C20H20Br2N4O/c1-14-10-17(3-4-18(14)22)24-20(27)13-25-6-8-26(9-7-25)19-5-2-16(21)11-15(19)12-23/h2-5,10-11H,6-9,13H2,1H3,(H,24,27)
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14n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [3H]-6b binding to human Dopamine receptor D4.4


Bioorg Med Chem Lett 14: 5095-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.068
BindingDB Entry DOI: 10.7270/Q23X863Q
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50153259
PNG
(2-[4-(4-[3H]-2-cyanophenyl)piperazinyl]-N-(2,4,6-[...)
Show SMILES Cc1cccc(NC(=O)CN2CCN(CC2)c2ccccc2C#N)c1
Show InChI InChI=1S/C20H22N4O/c1-16-5-4-7-18(13-16)22-20(25)15-23-9-11-24(12-10-23)19-8-3-2-6-17(19)14-21/h2-8,13H,9-12,15H2,1H3,(H,22,25)
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14.5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [3H]-6b binding to human Dopamine receptor D4.4


Bioorg Med Chem Lett 14: 5095-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.068
BindingDB Entry DOI: 10.7270/Q23X863Q
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20464
PNG
((2E)-3-[2-(piperidin-1-yl)-6-(trifluoromethyl)pyri...)
Show SMILES FC(F)(F)c1ccc(\C=C\C(=O)Nc2ccc3cccnc3c2)c(n1)N1CCCCC1
Show InChI InChI=1S/C23H21F3N4O/c24-23(25,26)20-10-7-17(22(29-20)30-13-2-1-3-14-30)8-11-21(31)28-18-9-6-16-5-4-12-27-19(16)15-18/h4-12,15H,1-3,13-14H2,(H,28,31)/b11-8+
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27 -43.2n/an/a 34n/an/a7.425



Abbott Laboratories



Assay Description
The hTRPV1-expressing CHO cell membranes were incubated with [3H]A-778317 and test compounds to establish equilibrium. After incubation was terminate...


J Pharmacol Exp Ther 323: 285-93 (2007)


Article DOI: 10.1124/jpet.107.124305
BindingDB Entry DOI: 10.7270/Q28K77B0
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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28.4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [3H]-spiperone binding to human Dopamine receptor D4.4


Bioorg Med Chem Lett 14: 5095-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.068
BindingDB Entry DOI: 10.7270/Q23X863Q
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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30.4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [3H]-6b binding to human Dopamine receptor D4.4


Bioorg Med Chem Lett 14: 5095-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.068
BindingDB Entry DOI: 10.7270/Q23X863Q
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50153265
PNG
(2-[4-(3-Methoxy-phenyl)-piperazin-1-yl]-N-m-tolyl-...)
Show SMILES COc1cccc(c1)N1CCN(CC(=O)Nc2cccc(C)c2)CC1
Show InChI InChI=1S/C20H25N3O2/c1-16-5-3-6-17(13-16)21-20(24)15-22-9-11-23(12-10-22)18-7-4-8-19(14-18)25-2/h3-8,13-14H,9-12,15H2,1-2H3,(H,21,24)
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39.1n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [3H]-6b binding to human Dopamine receptor D4.4


Bioorg Med Chem Lett 14: 5095-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.068
BindingDB Entry DOI: 10.7270/Q23X863Q
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50153265
PNG
(2-[4-(3-Methoxy-phenyl)-piperazin-1-yl]-N-m-tolyl-...)
Show SMILES COc1cccc(c1)N1CCN(CC(=O)Nc2cccc(C)c2)CC1
Show InChI InChI=1S/C20H25N3O2/c1-16-5-3-6-17(13-16)21-20(24)15-22-9-11-23(12-10-22)18-7-4-8-19(14-18)25-2/h3-8,13-14H,9-12,15H2,1-2H3,(H,21,24)
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46n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [3H]-spiperone binding to human Dopamine receptor D4.4


Bioorg Med Chem Lett 14: 5095-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.068
BindingDB Entry DOI: 10.7270/Q23X863Q
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20334
PNG
(1-Isoquinolin-5-yl-3-(4-trifluoromethyl-benzyl)-ur...)
Show SMILES FC(F)(F)c1ccc(CNC(=O)Nc2cccc3cnccc23)cc1
Show InChI InChI=1S/C18H14F3N3O/c19-18(20,21)14-6-4-12(5-7-14)10-23-17(25)24-16-3-1-2-13-11-22-9-8-15(13)16/h1-9,11H,10H2,(H2,23,24,25)
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47 -41.8n/an/a 11n/an/a7.425



Abbott Laboratories



Assay Description
The hTRPV1-expressing CHO cell membranes were incubated with [3H]A-778317 and test compounds to establish equilibrium. After incubation was terminate...


J Pharmacol Exp Ther 323: 285-93 (2007)


Article DOI: 10.1124/jpet.107.124305
BindingDB Entry DOI: 10.7270/Q28K77B0
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50153260
PNG
(2-[4-(4-Bromo-2-cyano-phenyl)-piperazin-1-yl]-N-(4...)
Show SMILES Cc1cc(NC(=O)CN2CCN(CC2)c2ccc(Br)cc2C#N)ccc1Br
Show InChI InChI=1S/C20H20Br2N4O/c1-14-10-17(3-4-18(14)22)24-20(27)13-25-6-8-26(9-7-25)19-5-2-16(21)11-15(19)12-23/h2-5,10-11H,6-9,13H2,1H3,(H,24,27)
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54.2n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [3H]-spiperone binding to human Dopamine receptor D4.4


Bioorg Med Chem Lett 14: 5095-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.068
BindingDB Entry DOI: 10.7270/Q23X863Q
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20465
PNG
(1-[(1R,2S)-6-fluoro-1-{[3-(trifluoromethyl)phenyl]...)
Show SMILES Fc1ccc2[C@@H](Cc3cccc(c3)C(F)(F)F)[C@H](CCc2c1)NC(=O)Nc1cccc2cnccc12 |r|
Show InChI InChI=1S/C28H23F4N3O/c29-21-8-9-22-18(15-21)7-10-26(24(22)14-17-3-1-5-20(13-17)28(30,31)32)35-27(36)34-25-6-2-4-19-16-33-12-11-23(19)25/h1-6,8-9,11-13,15-16,24,26H,7,10,14H2,(H2,34,35,36)/t24-,26+/m1/s1
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58 -41.3n/an/a 46n/an/a7.425



Abbott Laboratories



Assay Description
The hTRPV1-expressing CHO cell membranes were incubated with [3H]A-778317 and test compounds to establish equilibrium. After incubation was terminate...


J Pharmacol Exp Ther 323: 285-93 (2007)


Article DOI: 10.1124/jpet.107.124305
BindingDB Entry DOI: 10.7270/Q28K77B0
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50153266
PNG
(2-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-N-m-tolyl-a...)
Show SMILES Cc1cccc(NC(=O)CN2CCN(CC2)c2ccc(F)cc2)c1
Show InChI InChI=1S/C19H22FN3O/c1-15-3-2-4-17(13-15)21-19(24)14-22-9-11-23(12-10-22)18-7-5-16(20)6-8-18/h2-8,13H,9-12,14H2,1H3,(H,21,24)
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61.9n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [3H]-spiperone binding to human Dopamine receptor D4.4


Bioorg Med Chem Lett 14: 5095-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.068
BindingDB Entry DOI: 10.7270/Q23X863Q
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20285
PNG
(Resiniferatoxin | [(1R,2R,6R,10S,11R,15R,17R)-13-b...)
Show SMILES [H][C@]12OC3(Cc4ccccc4)O[C@]1(C[C@@H](C)[C@]1(O3)[C@]3([H])C=C(C)C(=O)[C@@]3(O)CC(COC(=O)Cc3ccc(O)c(OC)c3)=C[C@@]21[H])C(C)=C |c:47,t:23,TLB:11:3:12.14.13:44,THB:4:3:12.14.13:44|
Show InChI InChI=1S/C37H40O9/c1-21(2)35-17-23(4)37-27(33(35)44-36(45-35,46-37)19-24-9-7-6-8-10-24)14-26(18-34(41)30(37)13-22(3)32(34)40)20-43-31(39)16-25-11-12-28(38)29(15-25)42-5/h6-15,23,27,30,33,38,41H,1,16-20H2,2-5H3/t23-,27+,30-,33-,34-,35-,36?,37-/m1/s1
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65 -41.0n/an/a 24n/an/a7.425



Abbott Laboratories



Assay Description
The hTRPV1-expressing CHO cell membranes were incubated with [3H]A-778317 and test compounds to establish equilibrium. After incubation was terminate...


J Pharmacol Exp Ther 323: 285-93 (2007)


Article DOI: 10.1124/jpet.107.124305
BindingDB Entry DOI: 10.7270/Q28K77B0
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20466
PNG
(A-784168 | CHEMBL482834 | N-[4-(trifluoromethane)s...)
Show SMILES FC(F)(F)c1cccnc1N1CCC(=CC1)C(=O)Nc1ccc(cc1)S(=O)(=O)C(F)(F)F |c:14|
Show InChI InChI=1S/C19H15F6N3O3S/c20-18(21,22)15-2-1-9-26-16(15)28-10-7-12(8-11-28)17(29)27-13-3-5-14(6-4-13)32(30,31)19(23,24)25/h1-7,9H,8,10-11H2,(H,27,29)
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71 -40.8n/an/a 74n/an/a7.425



Abbott Laboratories



Assay Description
The hTRPV1-expressing CHO cell membranes were incubated with [3H]A-778317 and test compounds to establish equilibrium. After incubation was terminate...


J Pharmacol Exp Ther 323: 285-93 (2007)


Article DOI: 10.1124/jpet.107.124305
BindingDB Entry DOI: 10.7270/Q28K77B0
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50153263
PNG
(2-[4-(4-Methoxy-phenyl)-piperazin-1-yl]-N-m-tolyl-...)
Show SMILES COc1ccc(cc1)N1CCN(CC(=O)Nc2cccc(C)c2)CC1
Show InChI InChI=1S/C20H25N3O2/c1-16-4-3-5-17(14-16)21-20(24)15-22-10-12-23(13-11-22)18-6-8-19(25-2)9-7-18/h3-9,14H,10-13,15H2,1-2H3,(H,21,24)
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88.9n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [3H]-6b binding to human Dopamine receptor D4.4


Bioorg Med Chem Lett 14: 5095-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.068
BindingDB Entry DOI: 10.7270/Q23X863Q
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50153266
PNG
(2-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-N-m-tolyl-a...)
Show SMILES Cc1cccc(NC(=O)CN2CCN(CC2)c2ccc(F)cc2)c1
Show InChI InChI=1S/C19H22FN3O/c1-15-3-2-4-17(13-15)21-19(24)14-22-9-11-23(12-10-22)18-7-5-16(20)6-8-18/h2-8,13H,9-12,14H2,1H3,(H,21,24)
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90.7n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [3H]-6b binding to human Dopamine receptor D4.4


Bioorg Med Chem Lett 14: 5095-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.068
BindingDB Entry DOI: 10.7270/Q23X863Q
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50153263
PNG
(2-[4-(4-Methoxy-phenyl)-piperazin-1-yl]-N-m-tolyl-...)
Show SMILES COc1ccc(cc1)N1CCN(CC(=O)Nc2cccc(C)c2)CC1
Show InChI InChI=1S/C20H25N3O2/c1-16-4-3-5-17(14-16)21-20(24)15-22-10-12-23(13-11-22)18-6-8-19(25-2)9-7-18/h3-9,14H,10-13,15H2,1-2H3,(H,21,24)
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101n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [3H]-spiperone binding to human Dopamine receptor D4.4


Bioorg Med Chem Lett 14: 5095-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.068
BindingDB Entry DOI: 10.7270/Q23X863Q
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20467
PNG
(3-[(1S)-5-tert-butyl-2,3-dihydro-1H-inden-1-yl]-1-...)
Show SMILES CC(C)(C)c1ccc2[C@H](CCc2c1)NC(=O)Nc1cccc2cnccc12 |r|
Show InChI InChI=1S/C23H25N3O/c1-23(2,3)17-8-9-18-15(13-17)7-10-21(18)26-22(27)25-20-6-4-5-16-14-24-12-11-19(16)20/h4-6,8-9,11-14,21H,7,10H2,1-3H3,(H2,25,26,27)/t21-/m0/s1
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112 -39.7n/an/a 34n/an/a7.425



Abbott Laboratories



Assay Description
The hTRPV1-expressing CHO cell membranes were incubated with [3H]A-778317 and test compounds to establish equilibrium. After incubation was terminate...


J Pharmacol Exp Ther 323: 285-93 (2007)


Article DOI: 10.1124/jpet.107.124305
BindingDB Entry DOI: 10.7270/Q28K77B0
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50153261
PNG
(2-[4-(4-Bromo-2-cyano-phenyl)-piperazin-1-yl]-N-(2...)
Show SMILES Cc1c(Br)cc(Br)c(NC(=O)CN2CCN(CC2)c2ccc(Br)cc2C#N)c1Br
Show InChI InChI=1S/C20H18Br4N4O/c1-12-15(22)9-16(23)20(19(12)24)26-18(29)11-27-4-6-28(7-5-27)17-3-2-14(21)8-13(17)10-25/h2-3,8-9H,4-7,11H2,1H3,(H,26,29)
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114n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [3H]-6b binding to human Dopamine receptor D4.4


Bioorg Med Chem Lett 14: 5095-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.068
BindingDB Entry DOI: 10.7270/Q23X863Q
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50153256
PNG
(2-[4-(4-Benzhydryl-phenyl)-piperazin-1-yl]-N-m-tol...)
Show SMILES Cc1cccc(NC(=O)CN2CCN(CC2)c2ccc(cc2)C(c2ccccc2)c2ccccc2)c1
Show InChI InChI=1S/C32H33N3O/c1-25-9-8-14-29(23-25)33-31(36)24-34-19-21-35(22-20-34)30-17-15-28(16-18-30)32(26-10-4-2-5-11-26)27-12-6-3-7-13-27/h2-18,23,32H,19-22,24H2,1H3,(H,33,36)
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175n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [3H]-6b binding to human Dopamine receptor D4.4


Bioorg Med Chem Lett 14: 5095-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.068
BindingDB Entry DOI: 10.7270/Q23X863Q
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20459
PNG
(Tinyatoxin | [(1R,2R,6R,10S,11R,15R,17R)-13-benzyl...)
Show SMILES [H][C@]12OC3(Cc4ccccc4)O[C@]1(C[C@@H](C)[C@]1(O3)[C@]3([H])C=C(C)C(=O)[C@@]3(O)CC(COC(=O)Cc3ccc(O)cc3)=C[C@@]21[H])C(C)=C |c:45,t:23,TLB:11:3:12.14.13:42,THB:4:3:12.14.13:42|
Show InChI InChI=1S/C36H38O8/c1-21(2)34-17-23(4)36-28(32(34)42-35(43-34,44-36)19-25-8-6-5-7-9-25)15-26(18-33(40)29(36)14-22(3)31(33)39)20-41-30(38)16-24-10-12-27(37)13-11-24/h5-15,23,28-29,32,37,40H,1,16-20H2,2-4H3/t23-,28+,29-,32-,33-,34-,35?,36-/m1/s1
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589 -35.6n/an/a 129n/an/a7.425



Abbott Laboratories



Assay Description
The hTRPV1-expressing CHO cell membranes were incubated with [3H]A-778317 and test compounds to establish equilibrium. After incubation was terminate...


J Pharmacol Exp Ther 323: 285-93 (2007)


Article DOI: 10.1124/jpet.107.124305
BindingDB Entry DOI: 10.7270/Q28K77B0
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20468
PNG
(3-(2-bromophenyl)-1-{2-[ethyl(3-methylphenyl)amino...)
Show SMILES CCN(CCNC(=O)Nc1ccccc1Br)c1cccc(C)c1
Show InChI InChI=1S/C18H22BrN3O/c1-3-22(15-8-6-7-14(2)13-15)12-11-20-18(23)21-17-10-5-4-9-16(17)19/h4-10,13H,3,11-12H2,1-2H3,(H2,20,21,23)
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603 -35.5n/an/a 95n/an/a7.425



Abbott Laboratories



Assay Description
The hTRPV1-expressing CHO cell membranes were incubated with [3H]A-778317 and test compounds to establish equilibrium. After incubation was terminate...


J Pharmacol Exp Ther 323: 285-93 (2007)


Article DOI: 10.1124/jpet.107.124305
BindingDB Entry DOI: 10.7270/Q28K77B0
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50153261
PNG
(2-[4-(4-Bromo-2-cyano-phenyl)-piperazin-1-yl]-N-(2...)
Show SMILES Cc1c(Br)cc(Br)c(NC(=O)CN2CCN(CC2)c2ccc(Br)cc2C#N)c1Br
Show InChI InChI=1S/C20H18Br4N4O/c1-12-15(22)9-16(23)20(19(12)24)26-18(29)11-27-4-6-28(7-5-27)17-3-2-14(21)8-13(17)10-25/h2-3,8-9H,4-7,11H2,1H3,(H,26,29)
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936n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [3H]-spiperone binding to human Dopamine receptor D4.4


Bioorg Med Chem Lett 14: 5095-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.068
BindingDB Entry DOI: 10.7270/Q23X863Q
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20284
PNG
(CHEMBL391997 | CPZ | Capsazepine | N-[2-(4-chlorop...)
Show SMILES Oc1cc2CCCN(Cc2cc1O)C(=S)NCCc1ccc(Cl)cc1
Show InChI InChI=1S/C19H21ClN2O2S/c20-16-5-3-13(4-6-16)7-8-21-19(25)22-9-1-2-14-10-17(23)18(24)11-15(14)12-22/h3-6,10-11,23-24H,1-2,7-9,12H2,(H,21,25)
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1.29E+3 -33.6n/an/a 282n/an/a7.425



Abbott Laboratories



Assay Description
The hTRPV1-expressing CHO cell membranes were incubated with [3H]A-778317 and test compounds to establish equilibrium. After incubation was terminate...


J Pharmacol Exp Ther 323: 285-93 (2007)


Article DOI: 10.1124/jpet.107.124305
BindingDB Entry DOI: 10.7270/Q28K77B0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20460
PNG
((9Z)-N-[(4-hydroxy-3-methoxyphenyl)methyl]octadec-...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)NCc1ccc(O)c(OC)c1
Show InChI InChI=1S/C26H43NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26(29)27-22-23-19-20-24(28)25(21-23)30-2/h10-11,19-21,28H,3-9,12-18,22H2,1-2H3,(H,27,29)/b11-10-
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1.59E+3 -33.1n/an/a 132n/an/a7.425



Abbott Laboratories



Assay Description
The hTRPV1-expressing CHO cell membranes were incubated with [3H]A-778317 and test compounds to establish equilibrium. After incubation was terminate...


J Pharmacol Exp Ther 323: 285-93 (2007)


Article DOI: 10.1124/jpet.107.124305
BindingDB Entry DOI: 10.7270/Q28K77B0
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20462
PNG
((5Z,8Z,11Z,14Z)-N-[2-(3,4-dihydroxyphenyl)ethyl]ic...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C28H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28(32)29-23-22-25-20-21-26(30)27(31)24-25/h6-7,9-10,12-13,15-16,20-21,24,30-31H,2-5,8,11,14,17-19,22-23H2,1H3,(H,29,32)/b7-6-,10-9-,13-12-,16-15-
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>6.31E+3>-29.7n/an/a 1.48E+3n/an/a7.425



Abbott Laboratories



Assay Description
The hTRPV1-expressing CHO cell membranes were incubated with [3H]A-778317 and test compounds to establish equilibrium. After incubation was terminate...


J Pharmacol Exp Ther 323: 285-93 (2007)


Article DOI: 10.1124/jpet.107.124305
BindingDB Entry DOI: 10.7270/Q28K77B0
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50153262
PNG
(2-(4-Pyridin-4-yl-piperazin-1-yl)-N-m-tolyl-acetam...)
Show SMILES Cc1cccc(NC(=O)CN2CCN(CC2)c2ccncc2)c1
Show InChI InChI=1S/C18H22N4O/c1-15-3-2-4-16(13-15)20-18(23)14-21-9-11-22(12-10-21)17-5-7-19-8-6-17/h2-8,13H,9-12,14H2,1H3,(H,20,23)
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>1.00E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [3H]-spiperone binding to human Dopamine receptor D4.4


Bioorg Med Chem Lett 14: 5095-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.068
BindingDB Entry DOI: 10.7270/Q23X863Q
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50153258
PNG
(2-(4-Biphenyl-4-yl-piperazin-1-yl)-N-m-tolyl-aceta...)
Show SMILES Cc1cccc(NC(=O)CN2CCN(CC2)c2ccc(cc2)-c2ccccc2)c1
Show InChI InChI=1S/C25H27N3O/c1-20-6-5-9-23(18-20)26-25(29)19-27-14-16-28(17-15-27)24-12-10-22(11-13-24)21-7-3-2-4-8-21/h2-13,18H,14-17,19H2,1H3,(H,26,29)
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>1.00E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [3H]-6b binding to human Dopamine receptor D4.4


Bioorg Med Chem Lett 14: 5095-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.068
BindingDB Entry DOI: 10.7270/Q23X863Q
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50153267
PNG
(2-[4-(4-Benzyl-phenyl)-piperazin-1-yl]-N-m-tolyl-a...)
Show SMILES Cc1cccc(NC(=O)CN2CCN(CC2)c2ccc(Cc3ccccc3)cc2)c1
Show InChI InChI=1S/C26H29N3O/c1-21-6-5-9-24(18-21)27-26(30)20-28-14-16-29(17-15-28)25-12-10-23(11-13-25)19-22-7-3-2-4-8-22/h2-13,18H,14-17,19-20H2,1H3,(H,27,30)
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>1.00E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [3H]-6b binding to human Dopamine receptor D4.4


Bioorg Med Chem Lett 14: 5095-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.068
BindingDB Entry DOI: 10.7270/Q23X863Q
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50153262
PNG
(2-(4-Pyridin-4-yl-piperazin-1-yl)-N-m-tolyl-acetam...)
Show SMILES Cc1cccc(NC(=O)CN2CCN(CC2)c2ccncc2)c1
Show InChI InChI=1S/C18H22N4O/c1-15-3-2-4-16(13-15)20-18(23)14-21-9-11-22(12-10-21)17-5-7-19-8-6-17/h2-8,13H,9-12,14H2,1H3,(H,20,23)
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>1.00E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [3H]-6b binding to human Dopamine receptor D4.4


Bioorg Med Chem Lett 14: 5095-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.068
BindingDB Entry DOI: 10.7270/Q23X863Q
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20461
PNG
((6E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methy...)
Show SMILES COc1cc(CNC(=O)CCCC\C=C\C(C)C)ccc1O
Show InChI InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6+
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2.00E+4 -26.8n/an/a 29n/an/a7.425



Abbott Laboratories



Assay Description
The hTRPV1-expressing CHO cell membranes were incubated with [3H]A-778317 and test compounds to establish equilibrium. After incubation was terminate...


J Pharmacol Exp Ther 323: 285-93 (2007)


Article DOI: 10.1124/jpet.107.124305
BindingDB Entry DOI: 10.7270/Q28K77B0
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50153259
PNG
(2-[4-(4-[3H]-2-cyanophenyl)piperazinyl]-N-(2,4,6-[...)
Show SMILES Cc1cccc(NC(=O)CN2CCN(CC2)c2ccccc2C#N)c1
Show InChI InChI=1S/C20H22N4O/c1-16-5-4-7-18(13-16)22-20(25)15-23-9-11-24(12-10-23)19-8-3-2-6-17(19)14-21/h2-8,13H,9-12,15H2,1H3,(H,22,25)
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n/an/an/a 4n/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [3H]-6b binding to human Dopamine receptor D4.4


Bioorg Med Chem Lett 14: 5095-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.068
BindingDB Entry DOI: 10.7270/Q23X863Q
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50153255
PNG
(2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-N-m-tolyl-...)
Show SMILES COc1ccccc1N1CCN(CC(=O)Nc2cccc(C)c2)CC1
Show InChI InChI=1S/C20H25N3O2/c1-16-6-5-7-17(14-16)21-20(24)15-22-10-12-23(13-11-22)18-8-3-4-9-19(18)25-2/h3-9,14H,10-13,15H2,1-2H3,(H,21,24)
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n/an/an/an/a 26.8n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity was calculated in calcium flux assay using HEK-293 cells co-transfected with human Dopamine receptor D4.4 and Galphaqo5


Bioorg Med Chem Lett 14: 5095-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.068
BindingDB Entry DOI: 10.7270/Q23X863Q
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50153261
PNG
(2-[4-(4-Bromo-2-cyano-phenyl)-piperazin-1-yl]-N-(2...)
Show SMILES Cc1c(Br)cc(Br)c(NC(=O)CN2CCN(CC2)c2ccc(Br)cc2C#N)c1Br
Show InChI InChI=1S/C20H18Br4N4O/c1-12-15(22)9-16(23)20(19(12)24)26-18(29)11-27-4-6-28(7-5-27)17-3-2-14(21)8-13(17)10-25/h2-3,8-9H,4-7,11H2,1H3,(H,26,29)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity was calculated in calcium flux assay using HEK-293 cells co-transfected with human Dopamine receptor D4.4 and Galphaqo5


Bioorg Med Chem Lett 14: 5095-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.068
BindingDB Entry DOI: 10.7270/Q23X863Q
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50153260
PNG
(2-[4-(4-Bromo-2-cyano-phenyl)-piperazin-1-yl]-N-(4...)
Show SMILES Cc1cc(NC(=O)CN2CCN(CC2)c2ccc(Br)cc2C#N)ccc1Br
Show InChI InChI=1S/C20H20Br2N4O/c1-14-10-17(3-4-18(14)22)24-20(27)13-25-6-8-26(9-7-25)19-5-2-16(21)11-15(19)12-23/h2-5,10-11H,6-9,13H2,1H3,(H,24,27)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity was calculated in calcium flux assay using HEK-293 cells co-transfected with human Dopamine receptor D4.4 and Galphaqo5


Bioorg Med Chem Lett 14: 5095-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.068
BindingDB Entry DOI: 10.7270/Q23X863Q
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50153263
PNG
(2-[4-(4-Methoxy-phenyl)-piperazin-1-yl]-N-m-tolyl-...)
Show SMILES COc1ccc(cc1)N1CCN(CC(=O)Nc2cccc(C)c2)CC1
Show InChI InChI=1S/C20H25N3O2/c1-16-4-3-5-17(14-16)21-20(24)15-22-10-12-23(13-11-22)18-6-8-19(25-2)9-7-18/h3-9,14H,10-13,15H2,1-2H3,(H,21,24)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity was calculated in calcium flux assay using HEK-293 cells co-transfected with human Dopamine receptor D4.4 and Galphaqo5


Bioorg Med Chem Lett 14: 5095-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.068
BindingDB Entry DOI: 10.7270/Q23X863Q
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50153266
PNG
(2-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-N-m-tolyl-a...)
Show SMILES Cc1cccc(NC(=O)CN2CCN(CC2)c2ccc(F)cc2)c1
Show InChI InChI=1S/C19H22FN3O/c1-15-3-2-4-17(13-15)21-19(24)14-22-9-11-23(12-10-22)18-7-5-16(20)6-8-18/h2-8,13H,9-12,14H2,1H3,(H,21,24)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity was calculated in calcium flux assay using HEK-293 cells co-transfected with human Dopamine receptor D4.4 and Galphaqo5


Bioorg Med Chem Lett 14: 5095-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.068
BindingDB Entry DOI: 10.7270/Q23X863Q
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50153259
PNG
(2-[4-(4-[3H]-2-cyanophenyl)piperazinyl]-N-(2,4,6-[...)
Show SMILES Cc1cccc(NC(=O)CN2CCN(CC2)c2ccccc2C#N)c1
Show InChI InChI=1S/C20H22N4O/c1-16-5-4-7-18(13-16)22-20(25)15-23-9-11-24(12-10-23)19-8-3-2-6-17(19)14-21/h2-8,13H,9-12,15H2,1H3,(H,22,25)
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n/an/an/an/a 7.5n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity was calculated in calcium flux assay using HEK-293 cells co-transfected with human Dopamine receptor D4.4 and Galphaqo5


Bioorg Med Chem Lett 14: 5095-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.068
BindingDB Entry DOI: 10.7270/Q23X863Q
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50153262
PNG
(2-(4-Pyridin-4-yl-piperazin-1-yl)-N-m-tolyl-acetam...)
Show SMILES Cc1cccc(NC(=O)CN2CCN(CC2)c2ccncc2)c1
Show InChI InChI=1S/C18H22N4O/c1-15-3-2-4-16(13-15)20-18(23)14-21-9-11-22(12-10-21)17-5-7-19-8-6-17/h2-8,13H,9-12,14H2,1H3,(H,20,23)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity was calculated in calcium flux assay using HEK-293 cells co-transfected with human Dopamine receptor D4.4 and Galphaqo5


Bioorg Med Chem Lett 14: 5095-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.068
BindingDB Entry DOI: 10.7270/Q23X863Q
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50153267
PNG
(2-[4-(4-Benzyl-phenyl)-piperazin-1-yl]-N-m-tolyl-a...)
Show SMILES Cc1cccc(NC(=O)CN2CCN(CC2)c2ccc(Cc3ccccc3)cc2)c1
Show InChI InChI=1S/C26H29N3O/c1-21-6-5-9-24(18-21)27-26(30)20-28-14-16-29(17-15-28)25-12-10-23(11-13-25)19-22-7-3-2-4-8-22/h2-13,18H,14-17,19-20H2,1H3,(H,27,30)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity was calculated in calcium flux assay using HEK-293 cells co-transfected with human Dopamine receptor D4.4 and Galphaqo5


Bioorg Med Chem Lett 14: 5095-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.068
BindingDB Entry DOI: 10.7270/Q23X863Q
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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n/an/an/an/a>1.00E+4n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity was calculated in calcium flux assay using HEK-293 cells co-transfected with human Dopamine receptor D4.4 and Galphaqo5


Bioorg Med Chem Lett 14: 5095-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.068
BindingDB Entry DOI: 10.7270/Q23X863Q
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50153257
PNG
(CHEMBL185149 | N-(4-Bromo-3-methyl-phenyl)-2-[4-(2...)
Show SMILES Cc1cc(NC(=O)CN2CCN(CC2)c2ccccc2C#N)ccc1Br
Show InChI InChI=1S/C20H21BrN4O/c1-15-12-17(6-7-18(15)21)23-20(26)14-24-8-10-25(11-9-24)19-5-3-2-4-16(19)13-22/h2-7,12H,8-11,14H2,1H3,(H,23,26)
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n/an/an/an/a 96n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity was calculated in calcium flux assay using HEK-293 cells co-transfected with human Dopamine receptor D4.4 and Galphaqo5


Bioorg Med Chem Lett 14: 5095-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.068
BindingDB Entry DOI: 10.7270/Q23X863Q
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50153258
PNG
(2-(4-Biphenyl-4-yl-piperazin-1-yl)-N-m-tolyl-aceta...)
Show SMILES Cc1cccc(NC(=O)CN2CCN(CC2)c2ccc(cc2)-c2ccccc2)c1
Show InChI InChI=1S/C25H27N3O/c1-20-6-5-9-23(18-20)26-25(29)19-27-14-16-28(17-15-27)24-12-10-22(11-13-24)21-7-3-2-4-8-21/h2-13,18H,14-17,19H2,1H3,(H,26,29)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity was calculated in calcium flux assay using HEK-293 cells co-transfected with human Dopamine receptor D4.4 and Galphaqo5


Bioorg Med Chem Lett 14: 5095-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.068
BindingDB Entry DOI: 10.7270/Q23X863Q
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50153265
PNG
(2-[4-(3-Methoxy-phenyl)-piperazin-1-yl]-N-m-tolyl-...)
Show SMILES COc1cccc(c1)N1CCN(CC(=O)Nc2cccc(C)c2)CC1
Show InChI InChI=1S/C20H25N3O2/c1-16-5-3-6-17(13-16)21-20(24)15-22-9-11-23(12-10-22)18-7-4-8-19(14-18)25-2/h3-8,13-14H,9-12,15H2,1-2H3,(H,21,24)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity was calculated in calcium flux assay using HEK-293 cells co-transfected with human Dopamine receptor D4.4 and Galphaqo5


Bioorg Med Chem Lett 14: 5095-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.068
BindingDB Entry DOI: 10.7270/Q23X863Q
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50153256
PNG
(2-[4-(4-Benzhydryl-phenyl)-piperazin-1-yl]-N-m-tol...)
Show SMILES Cc1cccc(NC(=O)CN2CCN(CC2)c2ccc(cc2)C(c2ccccc2)c2ccccc2)c1
Show InChI InChI=1S/C32H33N3O/c1-25-9-8-14-29(23-25)33-31(36)24-34-19-21-35(22-20-34)30-17-15-28(16-18-30)32(26-10-4-2-5-11-26)27-12-6-3-7-13-27/h2-18,23,32H,19-22,24H2,1H3,(H,33,36)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity was calculated in calcium flux assay using HEK-293 cells co-transfected with human Dopamine receptor D4.4 and Galphaqo5


Bioorg Med Chem Lett 14: 5095-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.068
BindingDB Entry DOI: 10.7270/Q23X863Q
More data for this
Ligand-Target Pair