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Compile Data Set for Download or QSAR

Found 279 hits with Last Name = 'davis' and Initial = 'md'   
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(3) dopamine receptor


(Homo sapiens (Human))
BDBM50063292
PNG
(CHEMBL349426 | {4-[2-(4-Phenyl-piperazin-1-yl)-eth...)
Show SMILES C(CN1CCN(CC1)c1ccccc1)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccccc12 |wU:17.22,wD:14.15,(10.31,-6.02,;11.15,-7.32,;12.69,-7.24,;13.39,-5.86,;14.93,-5.79,;15.76,-7.07,;15.07,-8.45,;13.53,-8.53,;17.3,-7,;17.99,-5.63,;19.5,-5.53,;20.36,-6.83,;19.66,-8.19,;18.13,-8.28,;8.79,-6.11,;7.95,-4.81,;6.42,-4.88,;5.72,-6.26,;6.55,-7.54,;8.09,-7.47,;4.18,-6.33,;3.34,-5.04,;4.04,-3.66,;3.23,-2.36,;1.69,-2.43,;.99,-3.81,;-.55,-3.87,;-1.26,-5.23,;-.44,-6.54,;1.1,-6.47,;1.8,-5.11,)|
Show InChI InChI=1S/C26H33N5/c1-2-6-23(7-3-1)31-18-16-30(17-19-31)15-14-21-10-12-22(13-11-21)29-26-24-8-4-5-9-25(24)27-20-28-26/h1-9,20-22H,10-19H2,(H,27,28,29)/t21-,22-
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0.0200n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity determined by measuring displacement of [3H]-spiperone from cloned Human Dopamine receptor D3 in CHO-K1 cells


J Med Chem 41: 760-71 (1998)


Article DOI: 10.1021/jm9707378
BindingDB Entry DOI: 10.7270/Q20G3J97
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50063279
PNG
(CHEMBL309623 | Cyclohexanecarboxylic acid {4-[2-(4...)
Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2ccccc2)CC1)C1CCCCC1 |wU:6.6,wD:3.2,(1.34,-9.45,;2.88,-9.43,;3.66,-8.1,;5.2,-8.1,;5.97,-9.43,;7.51,-9.42,;8.29,-8.08,;9.83,-8.08,;10.6,-6.74,;12.14,-6.71,;12.89,-5.36,;14.44,-5.33,;15.22,-6.65,;14.48,-7.98,;12.94,-8.02,;16.77,-6.62,;17.56,-7.94,;19.09,-7.91,;19.85,-6.56,;19.04,-5.22,;17.5,-5.27,;7.51,-6.76,;5.96,-6.77,;3.66,-10.76,;5.19,-10.76,;5.95,-12.1,;5.18,-13.42,;3.66,-13.42,;2.88,-12.1,)|
Show InChI InChI=1S/C25H39N3O/c29-25(22-7-3-1-4-8-22)26-23-13-11-21(12-14-23)15-16-27-17-19-28(20-18-27)24-9-5-2-6-10-24/h2,5-6,9-10,21-23H,1,3-4,7-8,11-20H2,(H,26,29)/t21-,23-
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0.140n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity determined by measuring displacement of [3H]-spiperone from cloned Human Dopamine receptor D3 in CHO-K1 cells


J Med Chem 41: 760-71 (1998)


Article DOI: 10.1021/jm9707378
BindingDB Entry DOI: 10.7270/Q20G3J97
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50063281
PNG
((4-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}...)
Show SMILES COc1ccccc1N1CCN(CC[C@H]2CC[C@@H](CC2)Nc2ncccn2)CC1 |wU:17.21,wD:14.14,(16.78,-2.98,;16.09,-4.37,;16.94,-5.65,;18.47,-5.56,;19.33,-6.85,;18.62,-8.23,;17.09,-8.3,;16.26,-7.01,;14.71,-7.11,;14.02,-8.49,;12.47,-8.56,;11.63,-7.27,;10.08,-7.34,;9.24,-6.05,;7.71,-6.12,;6.86,-4.83,;5.33,-4.9,;4.62,-6.29,;5.46,-7.57,;7,-7.5,;3.07,-6.36,;2.23,-5.04,;2.95,-3.69,;2.11,-2.37,;.56,-2.44,;-.14,-3.83,;.7,-5.14,;12.33,-5.89,;13.87,-5.82,)|
Show InChI InChI=1S/C23H33N5O/c1-29-22-6-3-2-5-21(22)28-17-15-27(16-18-28)14-11-19-7-9-20(10-8-19)26-23-24-12-4-13-25-23/h2-6,12-13,19-20H,7-11,14-18H2,1H3,(H,24,25,26)/t19-,20-
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0.5n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
The binding affinity of the compound was determined by measuring its ability to displace [3H]-8-OH-DPAT radioligand in 5-hydroxytryptamine 1A recepto...


J Med Chem 41: 760-71 (1998)


Article DOI: 10.1021/jm9707378
BindingDB Entry DOI: 10.7270/Q20G3J97
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50063291
PNG
(CHEMBL78791 | Thiophene-2-carboxylic acid {4-[2-(4...)
Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2ccccc2)CC1)c1cccs1 |wU:6.6,wD:3.2,(-4.1,-5.89,;-2.56,-5.89,;-1.79,-4.56,;-.25,-4.55,;.52,-5.88,;2.06,-5.86,;2.83,-4.53,;4.37,-4.53,;5.14,-3.2,;6.68,-3.16,;7.43,-1.82,;8.97,-1.78,;9.75,-3.1,;9.01,-4.44,;7.47,-4.46,;11.29,-3.06,;12.09,-4.39,;13.63,-4.36,;14.37,-3.01,;13.56,-1.69,;12.02,-1.73,;2.05,-3.2,;.51,-3.22,;-1.79,-7.22,;-.25,-7.3,;-.4,-9.95,;-1.93,-9.87,;-2.64,-8.5,)|
Show InChI InChI=1S/C23H31N3OS/c27-23(22-7-4-18-28-22)24-20-10-8-19(9-11-20)12-13-25-14-16-26(17-15-25)21-5-2-1-3-6-21/h1-7,18-20H,8-17H2,(H,24,27)/t19-,20-
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0.800n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity determined by measuring displacement of [3H]-spiperone from cloned Human Dopamine receptor D3 in CHO-K1 cells


J Med Chem 41: 760-71 (1998)


Article DOI: 10.1021/jm9707378
BindingDB Entry DOI: 10.7270/Q20G3J97
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50455438
PNG
(CHEMBL3084971)
Show SMILES C(CN1CCN(CC1)c1ccccc1)[C@H]1CC[C@H](CC1)Nc1ncccn1 |wU:17.22,14.15,(9.21,-6,;10.05,-7.3,;11.58,-7.21,;12.42,-8.52,;13.96,-8.42,;14.64,-7.05,;13.8,-5.77,;12.28,-5.84,;16.18,-6.98,;17.02,-8.26,;18.53,-8.17,;19.23,-6.81,;18.39,-5.51,;16.85,-5.6,;7.67,-6.09,;6.97,-7.44,;5.43,-7.51,;4.59,-6.23,;5.31,-4.86,;6.83,-4.79,;3.05,-6.3,;2.21,-5.02,;.7,-5.09,;-.14,-3.81,;.56,-2.43,;2.1,-2.36,;2.94,-3.64,)|
Show InChI InChI=1S/C22H31N5/c1-2-5-21(6-3-1)27-17-15-26(16-18-27)14-11-19-7-9-20(10-8-19)25-22-23-12-4-13-24-22/h1-6,12-13,19-20H,7-11,14-18H2,(H,23,24,25)/t19-,20+
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1.90n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
The binding affinity of the compound was determined by measuring its ability to displace [3H]-8-OH-DPAT radioligand in 5-hydroxytryptamine 1A recepto...


J Med Chem 41: 760-71 (1998)


Article DOI: 10.1021/jm9707378
BindingDB Entry DOI: 10.7270/Q20G3J97
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50063282
PNG
(CHEMBL2110308 | {4-[2-(4-Phenyl-piperazin-1-yl)-et...)
Show SMILES C1CC(CCC1Nc1ncccn1)N1CCN(CC1)c1ccccc1 |(8.5,-10.43,;10.04,-10.36,;10.74,-8.99,;9.9,-7.69,;8.36,-7.77,;7.66,-9.13,;6.12,-9.2,;5.28,-7.92,;3.77,-7.99,;2.93,-6.71,;3.63,-5.33,;5.17,-5.26,;6.01,-6.54,;12.28,-8.9,;13.12,-10.21,;14.66,-10.13,;15.34,-8.75,;14.5,-7.45,;12.98,-7.54,;16.88,-8.67,;17.72,-9.95,;19.24,-9.86,;19.94,-8.5,;19.09,-7.21,;17.56,-7.31,)|
Show InChI InChI=1S/C20H27N5/c1-2-5-18(6-3-1)24-13-15-25(16-14-24)19-9-7-17(8-10-19)23-20-21-11-4-12-22-20/h1-6,11-12,17,19H,7-10,13-16H2,(H,21,22,23)
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1.90n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
The binding affinity of the compound was determined by measuring its ability to displace [3H]-8-OH-DPAT radioligand in 5-hydroxytryptamine 1A recepto...


J Med Chem 41: 760-71 (1998)


Article DOI: 10.1021/jm9707378
BindingDB Entry DOI: 10.7270/Q20G3J97
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50063280
PNG
(CHEMBL355371 | {4-[2-(4-Pyridin-2-yl-piperazin-1-y...)
Show SMILES C(CN1CCN(CC1)c1ccccn1)[C@H]1CC[C@@H](CC1)Nc1ncccn1 |wU:17.22,wD:14.15,(9.19,-6.02,;10.03,-7.31,;11.57,-7.24,;12.41,-8.52,;13.95,-8.45,;14.64,-7.07,;13.8,-5.79,;12.27,-5.86,;16.18,-6.98,;17,-8.26,;18.54,-8.19,;19.23,-6.82,;18.38,-5.53,;16.86,-5.63,;7.67,-6.09,;6.83,-4.81,;5.3,-4.88,;4.59,-6.26,;5.43,-7.54,;6.97,-7.47,;3.05,-6.33,;2.21,-5.02,;.7,-5.11,;-.14,-3.81,;.56,-2.43,;2.1,-2.36,;2.94,-3.67,)|
Show InChI InChI=1S/C21H30N6/c1-2-10-22-20(4-1)27-16-14-26(15-17-27)13-9-18-5-7-19(8-6-18)25-21-23-11-3-12-24-21/h1-4,10-12,18-19H,5-9,13-17H2,(H,23,24,25)/t18-,19-
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2.20n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
The binding affinity of the compound was determined by measuring its ability to displace [3H]-8-OH-DPAT radioligand in 5-hydroxytryptamine 1A recepto...


J Med Chem 41: 760-71 (1998)


Article DOI: 10.1021/jm9707378
BindingDB Entry DOI: 10.7270/Q20G3J97
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50055721
PNG
(3-{4-[2-(4-Pyridin-2-yl-piperazin-1-yl)-ethyl]-cyc...)
Show SMILES C(CN1CCN(CC1)c1ccccn1)[C@H]1CC[C@@H](CC1)c1c[nH]c2ccccc12 |wU:17.22,wD:14.15,(13.38,-6.36,;14.69,-7.13,;16.04,-6.36,;17.37,-7.13,;18.7,-6.36,;18.68,-4.79,;17.33,-4.05,;16.01,-4.82,;20.02,-4.02,;21.34,-4.79,;22.68,-4.02,;22.66,-2.48,;21.33,-1.71,;19.99,-2.48,;12.03,-7.1,;10.72,-6.33,;9.37,-7.1,;9.38,-8.64,;10.72,-9.41,;12.03,-8.64,;8.1,-9.47,;8.02,-11.01,;6.54,-11.43,;5.68,-10.15,;4.15,-9.92,;3.59,-8.48,;4.59,-7.29,;6.1,-7.52,;6.64,-8.96,)|
Show InChI InChI=1S/C25H32N4/c1-2-6-24-22(5-1)23(19-27-24)21-10-8-20(9-11-21)12-14-28-15-17-29(18-16-28)25-7-3-4-13-26-25/h1-7,13,19-21,27H,8-12,14-18H2/t20-,21-
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2.60n/an/an/an/an/an/an/an/a



Division of Warner Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity was determined in vitro on rat striatum using [3H]-N-propylnorapomorphine against Dopamine receptor D2


J Med Chem 40: 250-9 (1997)


Article DOI: 10.1021/jm960597m
BindingDB Entry DOI: 10.7270/Q28W3CD4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50063281
PNG
((4-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}...)
Show SMILES COc1ccccc1N1CCN(CC[C@H]2CC[C@@H](CC2)Nc2ncccn2)CC1 |wU:17.21,wD:14.14,(16.78,-2.98,;16.09,-4.37,;16.94,-5.65,;18.47,-5.56,;19.33,-6.85,;18.62,-8.23,;17.09,-8.3,;16.26,-7.01,;14.71,-7.11,;14.02,-8.49,;12.47,-8.56,;11.63,-7.27,;10.08,-7.34,;9.24,-6.05,;7.71,-6.12,;6.86,-4.83,;5.33,-4.9,;4.62,-6.29,;5.46,-7.57,;7,-7.5,;3.07,-6.36,;2.23,-5.04,;2.95,-3.69,;2.11,-2.37,;.56,-2.44,;-.14,-3.83,;.7,-5.14,;12.33,-5.89,;13.87,-5.82,)|
Show InChI InChI=1S/C23H33N5O/c1-29-22-6-3-2-5-21(22)28-17-15-27(16-18-28)14-11-19-7-9-20(10-8-19)26-23-24-12-4-13-25-23/h2-6,12-13,19-20H,7-11,14-18H2,1H3,(H,24,25,26)/t19-,20-
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3n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity determined by measuring its ability to displace [3H]-N-0437 radioligand in CHO-K1 cells on Cloned Human Dopamine receptor D2


J Med Chem 41: 760-71 (1998)


Article DOI: 10.1021/jm9707378
BindingDB Entry DOI: 10.7270/Q20G3J97
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50063292
PNG
(CHEMBL349426 | {4-[2-(4-Phenyl-piperazin-1-yl)-eth...)
Show SMILES C(CN1CCN(CC1)c1ccccc1)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccccc12 |wU:17.22,wD:14.15,(10.31,-6.02,;11.15,-7.32,;12.69,-7.24,;13.39,-5.86,;14.93,-5.79,;15.76,-7.07,;15.07,-8.45,;13.53,-8.53,;17.3,-7,;17.99,-5.63,;19.5,-5.53,;20.36,-6.83,;19.66,-8.19,;18.13,-8.28,;8.79,-6.11,;7.95,-4.81,;6.42,-4.88,;5.72,-6.26,;6.55,-7.54,;8.09,-7.47,;4.18,-6.33,;3.34,-5.04,;4.04,-3.66,;3.23,-2.36,;1.69,-2.43,;.99,-3.81,;-.55,-3.87,;-1.26,-5.23,;-.44,-6.54,;1.1,-6.47,;1.8,-5.11,)|
Show InChI InChI=1S/C26H33N5/c1-2-6-23(7-3-1)31-18-16-30(17-19-31)15-14-21-10-12-22(13-11-21)29-26-24-8-4-5-9-25(24)27-20-28-26/h1-9,20-22H,10-19H2,(H,27,28,29)/t21-,22-
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3.20n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity determined by measuring its ability to displace [3H]-N-0437 radioligand in CHO-K1 cells on Cloned Human Dopamine receptor D2


J Med Chem 41: 760-71 (1998)


Article DOI: 10.1021/jm9707378
BindingDB Entry DOI: 10.7270/Q20G3J97
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50071235
PNG
(CHEMBL65078 | Cyclopropylmethyl-[3-(2,4-dichloro-p...)
Show SMILES CCCN(CC1CC1)c1cc(C)nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl |(17.18,-6.55,;17.15,-8.09,;15.79,-8.82,;15.75,-10.36,;17.06,-11.17,;17.01,-12.71,;18.31,-13.5,;15.65,-13.44,;14.4,-11.1,;14.35,-12.63,;12.98,-13.38,;12.93,-14.91,;11.67,-12.57,;11.72,-11.01,;10.61,-9.94,;11.28,-8.56,;10.55,-7.21,;12.81,-8.78,;13.09,-10.29,;9.11,-10.22,;8.1,-9.04,;6.59,-9.31,;6.08,-10.76,;4.57,-11.03,;7.07,-11.93,;8.59,-11.67,;9.57,-12.83,)|
Show InChI InChI=1S/C21H24Cl2N4/c1-4-9-26(12-15-5-6-15)19-10-13(2)24-21-20(14(3)25-27(19)21)17-8-7-16(22)11-18(17)23/h7-8,10-11,15H,4-6,9,12H2,1-3H3
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3.20n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Displacement of [125I]-0-CRF from human Corticotropin releasing factor receptor 1 expressed in CHO cells


Bioorg Med Chem Lett 8: 2067-70 (1999)


BindingDB Entry DOI: 10.7270/Q2125RTC
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50063291
PNG
(CHEMBL78791 | Thiophene-2-carboxylic acid {4-[2-(4...)
Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2ccccc2)CC1)c1cccs1 |wU:6.6,wD:3.2,(-4.1,-5.89,;-2.56,-5.89,;-1.79,-4.56,;-.25,-4.55,;.52,-5.88,;2.06,-5.86,;2.83,-4.53,;4.37,-4.53,;5.14,-3.2,;6.68,-3.16,;7.43,-1.82,;8.97,-1.78,;9.75,-3.1,;9.01,-4.44,;7.47,-4.46,;11.29,-3.06,;12.09,-4.39,;13.63,-4.36,;14.37,-3.01,;13.56,-1.69,;12.02,-1.73,;2.05,-3.2,;.51,-3.22,;-1.79,-7.22,;-.25,-7.3,;-.4,-9.95,;-1.93,-9.87,;-2.64,-8.5,)|
Show InChI InChI=1S/C23H31N3OS/c27-23(22-7-4-18-28-22)24-20-10-8-19(9-11-20)12-13-25-14-16-26(17-15-25)21-5-2-1-3-6-21/h1-7,18-20H,8-17H2,(H,24,27)/t19-,20-
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3.40n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity determined by measuring its ability to displace [3H]-N-0437 radioligand in CHO-K1 cells on Cloned Human Dopamine receptor D2


J Med Chem 41: 760-71 (1998)


Article DOI: 10.1021/jm9707378
BindingDB Entry DOI: 10.7270/Q20G3J97
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50063296
PNG
(CHEMBL165679 | {4-[2-(4-Phenyl-piperazin-1-yl)-eth...)
Show SMILES C(CN1CCN(CC1)c1ccccc1)[C@H]1CC[C@@H](CC1)Nc1ncccn1 |wU:17.22,wD:14.15,(9.21,-6.02,;10.05,-7.32,;11.59,-7.24,;12.43,-8.53,;13.97,-8.45,;14.66,-7.08,;13.82,-5.79,;12.29,-5.86,;16.2,-6.99,;17.03,-8.27,;18.56,-8.18,;19.26,-6.83,;18.41,-5.53,;16.88,-5.63,;7.68,-6.1,;6.84,-4.81,;5.31,-4.88,;4.6,-6.26,;5.44,-7.54,;6.98,-7.47,;3.06,-6.33,;2.22,-5.03,;.7,-5.11,;-.14,-3.81,;.56,-2.44,;2.1,-2.37,;2.94,-3.67,)|
Show InChI InChI=1S/C22H31N5/c1-2-5-21(6-3-1)27-17-15-26(16-18-27)14-11-19-7-9-20(10-8-19)25-22-23-12-4-13-24-22/h1-6,12-13,19-20H,7-11,14-18H2,(H,23,24,25)/t19-,20-
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3.5n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
The binding affinity of the compound was determined by measuring its ability to displace [3H]-8-OH-DPAT radioligand in 5-hydroxytryptamine 1A recepto...


J Med Chem 41: 760-71 (1998)


Article DOI: 10.1021/jm9707378
BindingDB Entry DOI: 10.7270/Q20G3J97
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50063276
PNG
(CHEMBL164604 | {4-[2-(4-Phenyl-3,6-dihydro-2H-pyri...)
Show SMILES C(CN1CCC(=CC1)c1ccccc1)[C@H]1CC[C@@H](CC1)Nc1ncccn1 |wU:17.22,wD:14.15,c:5,(9.23,-6.05,;10.08,-7.34,;11.62,-7.27,;12.47,-8.55,;14.01,-8.48,;14.71,-7.1,;13.86,-5.82,;12.33,-5.89,;16.25,-7.01,;17.08,-8.3,;18.62,-8.23,;19.32,-6.85,;18.46,-5.56,;16.93,-5.65,;7.7,-6.12,;6.86,-4.83,;5.32,-4.9,;4.61,-6.28,;5.46,-7.57,;7,-7.5,;3.07,-6.35,;2.22,-5.04,;.7,-5.14,;-.14,-3.82,;.56,-2.44,;2.11,-2.37,;2.95,-3.68,)|
Show InChI InChI=1S/C23H30N4/c1-2-5-20(6-3-1)21-12-17-27(18-13-21)16-11-19-7-9-22(10-8-19)26-23-24-14-4-15-25-23/h1-6,12,14-15,19,22H,7-11,13,16-18H2,(H,24,25,26)/t19-,22-
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3.70n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity determined by measuring displacement of [3H]-spiperone from cloned Human Dopamine receptor D3 in CHO-K1 cells


J Med Chem 41: 760-71 (1998)


Article DOI: 10.1021/jm9707378
BindingDB Entry DOI: 10.7270/Q20G3J97
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50063276
PNG
(CHEMBL164604 | {4-[2-(4-Phenyl-3,6-dihydro-2H-pyri...)
Show SMILES C(CN1CCC(=CC1)c1ccccc1)[C@H]1CC[C@@H](CC1)Nc1ncccn1 |wU:17.22,wD:14.15,c:5,(9.23,-6.05,;10.08,-7.34,;11.62,-7.27,;12.47,-8.55,;14.01,-8.48,;14.71,-7.1,;13.86,-5.82,;12.33,-5.89,;16.25,-7.01,;17.08,-8.3,;18.62,-8.23,;19.32,-6.85,;18.46,-5.56,;16.93,-5.65,;7.7,-6.12,;6.86,-4.83,;5.32,-4.9,;4.61,-6.28,;5.46,-7.57,;7,-7.5,;3.07,-6.35,;2.22,-5.04,;.7,-5.14,;-.14,-3.82,;.56,-2.44,;2.11,-2.37,;2.95,-3.68,)|
Show InChI InChI=1S/C23H30N4/c1-2-5-20(6-3-1)21-12-17-27(18-13-21)16-11-19-7-9-22(10-8-19)26-23-24-14-4-15-25-23/h1-6,12,14-15,19,22H,7-11,13,16-18H2,(H,24,25,26)/t19-,22-
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3.90n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
The binding affinity of the compound was determined by measuring its ability to displace [3H]-8-OH-DPAT radioligand in 5-hydroxytryptamine 1A recepto...


J Med Chem 41: 760-71 (1998)


Article DOI: 10.1021/jm9707378
BindingDB Entry DOI: 10.7270/Q20G3J97
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50063277
PNG
((4-{2-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES Fc1ccc(cc1)N1CCN(CC[C@H]2CC[C@@H](CC2)Nc2ncccn2)CC1 |wU:16.20,wD:13.13,(20.1,-6.75,;18.55,-6.85,;17.69,-5.56,;16.16,-5.65,;15.48,-7.01,;16.31,-8.3,;17.85,-8.23,;13.94,-7.11,;13.24,-8.49,;11.7,-8.56,;10.85,-7.27,;9.31,-7.34,;8.46,-6.05,;6.93,-6.12,;6.09,-4.83,;4.55,-4.9,;3.84,-6.29,;4.69,-7.57,;6.23,-7.5,;2.3,-6.36,;1.45,-5.04,;2.18,-3.69,;1.34,-2.37,;-.21,-2.44,;-.91,-3.83,;-.07,-5.14,;11.56,-5.89,;13.09,-5.82,)|
Show InChI InChI=1S/C22H30FN5/c23-19-4-8-21(9-5-19)28-16-14-27(15-17-28)13-10-18-2-6-20(7-3-18)26-22-24-11-1-12-25-22/h1,4-5,8-9,11-12,18,20H,2-3,6-7,10,13-17H2,(H,24,25,26)/t18-,20-
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4.5n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
The binding affinity of the compound was determined by measuring its ability to displace [3H]-8-OH-DPAT radioligand in 5-hydroxytryptamine 1A recepto...


J Med Chem 41: 760-71 (1998)


Article DOI: 10.1021/jm9707378
BindingDB Entry DOI: 10.7270/Q20G3J97
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50063276
PNG
(CHEMBL164604 | {4-[2-(4-Phenyl-3,6-dihydro-2H-pyri...)
Show SMILES C(CN1CCC(=CC1)c1ccccc1)[C@H]1CC[C@@H](CC1)Nc1ncccn1 |wU:17.22,wD:14.15,c:5,(9.23,-6.05,;10.08,-7.34,;11.62,-7.27,;12.47,-8.55,;14.01,-8.48,;14.71,-7.1,;13.86,-5.82,;12.33,-5.89,;16.25,-7.01,;17.08,-8.3,;18.62,-8.23,;19.32,-6.85,;18.46,-5.56,;16.93,-5.65,;7.7,-6.12,;6.86,-4.83,;5.32,-4.9,;4.61,-6.28,;5.46,-7.57,;7,-7.5,;3.07,-6.35,;2.22,-5.04,;.7,-5.14,;-.14,-3.82,;.56,-2.44,;2.11,-2.37,;2.95,-3.68,)|
Show InChI InChI=1S/C23H30N4/c1-2-5-20(6-3-1)21-12-17-27(18-13-21)16-11-19-7-9-22(10-8-19)26-23-24-14-4-15-25-23/h1-6,12,14-15,19,22H,7-11,13,16-18H2,(H,24,25,26)/t19-,22-
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4.70n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity determined by measuring its ability to displace [3H]-N-0437 radioligand in CHO-K1 cells on Cloned Human Dopamine receptor D2


J Med Chem 41: 760-71 (1998)


Article DOI: 10.1021/jm9707378
BindingDB Entry DOI: 10.7270/Q20G3J97
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50063288
PNG
(CHEMBL165047 | Methyl-{4-[2-(4-phenyl-piperazin-1-...)
Show SMILES CN([C@H]1CC[C@H](CCN2CCN(CC2)c2ccccc2)CC1)c1ncccn1 |wU:2.1,wD:5.5,(2.36,-7.7,;3.06,-6.33,;4.6,-6.26,;5.31,-4.88,;6.85,-4.81,;7.69,-6.11,;9.22,-6.03,;10.06,-7.32,;11.6,-7.25,;12.3,-5.87,;13.84,-5.8,;14.68,-7.08,;13.98,-8.46,;12.44,-8.54,;16.22,-7,;16.9,-5.63,;18.43,-5.54,;19.28,-6.83,;18.58,-8.19,;17.05,-8.28,;6.99,-7.48,;5.45,-7.55,;2.22,-5.03,;.7,-5.12,;-.14,-3.82,;.56,-2.44,;2.1,-2.37,;2.94,-3.67,)|
Show InChI InChI=1S/C23H33N5/c1-26(23-24-13-5-14-25-23)21-10-8-20(9-11-21)12-15-27-16-18-28(19-17-27)22-6-3-2-4-7-22/h2-7,13-14,20-21H,8-12,15-19H2,1H3/t20-,21-
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4.70n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
The binding affinity of the compound was determined by measuring its ability to displace [3H]-8-OH-DPAT radioligand in 5-hydroxytryptamine 1A recepto...


J Med Chem 41: 760-71 (1998)


Article DOI: 10.1021/jm9707378
BindingDB Entry DOI: 10.7270/Q20G3J97
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50063286
PNG
(CHEMBL164723 | {4-[2-(4-Pyridin-3-yl-piperazin-1-y...)
Show SMILES C(CN1CCN(CC1)c1cccnc1)[C@H]1CC[C@@H](CC1)Nc1ncccn1 |wU:17.22,wD:14.15,(9.24,-6.05,;10.08,-7.34,;11.63,-7.27,;12.47,-8.56,;14.02,-8.49,;14.71,-7.11,;13.87,-5.82,;12.33,-5.89,;16.26,-7.01,;17.09,-8.3,;18.62,-8.23,;19.33,-6.85,;18.47,-5.56,;16.94,-5.65,;7.71,-6.12,;6.86,-4.83,;5.33,-4.9,;4.62,-6.29,;5.46,-7.57,;7,-7.5,;3.07,-6.36,;2.23,-5.04,;.7,-5.14,;-.14,-3.83,;.56,-2.44,;2.11,-2.37,;2.95,-3.69,)|
Show InChI InChI=1S/C21H30N6/c1-3-20(17-22-9-1)27-15-13-26(14-16-27)12-8-18-4-6-19(7-5-18)25-21-23-10-2-11-24-21/h1-3,9-11,17-19H,4-8,12-16H2,(H,23,24,25)/t18-,19-
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4.70n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity determined by measuring displacement of [3H]-spiperone from cloned Human Dopamine receptor D3 in CHO-K1 cells


J Med Chem 41: 760-71 (1998)


Article DOI: 10.1021/jm9707378
BindingDB Entry DOI: 10.7270/Q20G3J97
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50063288
PNG
(CHEMBL165047 | Methyl-{4-[2-(4-phenyl-piperazin-1-...)
Show SMILES CN([C@H]1CC[C@H](CCN2CCN(CC2)c2ccccc2)CC1)c1ncccn1 |wU:2.1,wD:5.5,(2.36,-7.7,;3.06,-6.33,;4.6,-6.26,;5.31,-4.88,;6.85,-4.81,;7.69,-6.11,;9.22,-6.03,;10.06,-7.32,;11.6,-7.25,;12.3,-5.87,;13.84,-5.8,;14.68,-7.08,;13.98,-8.46,;12.44,-8.54,;16.22,-7,;16.9,-5.63,;18.43,-5.54,;19.28,-6.83,;18.58,-8.19,;17.05,-8.28,;6.99,-7.48,;5.45,-7.55,;2.22,-5.03,;.7,-5.12,;-.14,-3.82,;.56,-2.44,;2.1,-2.37,;2.94,-3.67,)|
Show InChI InChI=1S/C23H33N5/c1-26(23-24-13-5-14-25-23)21-10-8-20(9-11-21)12-15-27-16-18-28(19-17-27)22-6-3-2-4-7-22/h2-7,13-14,20-21H,8-12,15-19H2,1H3/t20-,21-
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4.80n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity determined by measuring its ability to displace [3H]-N-0437 radioligand in CHO-K1 cells on Cloned Human Dopamine receptor D2


J Med Chem 41: 760-71 (1998)


Article DOI: 10.1021/jm9707378
BindingDB Entry DOI: 10.7270/Q20G3J97
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50071234
PNG
(Butyl-[3-(2,4-dichloro-phenyl)-2,5-dimethyl-pyrazo...)
Show SMILES CCCCN(CC)c1cc(C)nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl |(3.7,2.11,;2.35,2.88,;1.03,2.11,;-.31,2.86,;-1.64,2.07,;-2.97,2.84,;-4.32,2.07,;-1.64,.53,;-2.97,-.24,;-2.97,-1.78,;-4.29,-2.55,;-1.63,-2.53,;-.29,-1.76,;1.19,-2.22,;2.06,-.96,;3.6,-.94,;1.15,.28,;-.31,-.22,;1.68,-3.67,;.65,-4.82,;1.13,-6.29,;2.64,-6.59,;3.15,-8.05,;3.67,-5.42,;3.18,-3.96,;4.18,-2.8,)|
Show InChI InChI=1S/C20H24Cl2N4/c1-5-7-10-25(6-2)18-11-13(3)23-20-19(14(4)24-26(18)20)16-9-8-15(21)12-17(16)22/h8-9,11-12H,5-7,10H2,1-4H3
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5n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Displacement of [125I]-0-CRF from human Corticotropin releasing factor receptor 1 expressed in CHO cells


Bioorg Med Chem Lett 8: 2067-70 (1999)


BindingDB Entry DOI: 10.7270/Q2125RTC
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50063298
PNG
((4-{2-[4-(2,3-Dichloro-phenyl)-piperazin-1-yl]-eth...)
Show SMILES Clc1cccc(N2CCN(CC[C@H]3CC[C@@H](CC3)Nc3ncccn3)CC2)c1Cl |wU:15.18,wD:12.11,(19.11,-4.18,;18.42,-5.56,;19.28,-6.84,;18.57,-8.23,;17.04,-8.3,;16.21,-7.01,;14.66,-7.1,;13.82,-5.81,;12.29,-5.88,;11.59,-7.27,;10.04,-7.34,;9.2,-6.05,;7.66,-6.12,;6.82,-4.83,;5.29,-4.9,;4.57,-6.28,;5.42,-7.57,;6.96,-7.5,;3.03,-6.35,;2.19,-5.04,;.66,-5.13,;-.18,-3.82,;.52,-2.44,;2.07,-2.37,;2.91,-3.68,;12.43,-8.55,;13.98,-8.48,;16.89,-5.65,;16.04,-4.36,)|
Show InChI InChI=1S/C22H29Cl2N5/c23-19-3-1-4-20(21(19)24)29-15-13-28(14-16-29)12-9-17-5-7-18(8-6-17)27-22-25-10-2-11-26-22/h1-4,10-11,17-18H,5-9,12-16H2,(H,25,26,27)/t17-,18-
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5n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity determined by measuring displacement of [3H]-spiperone from cloned Human Dopamine receptor D3 in CHO-K1 cells


J Med Chem 41: 760-71 (1998)


Article DOI: 10.1021/jm9707378
BindingDB Entry DOI: 10.7270/Q20G3J97
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50063296
PNG
(CHEMBL165679 | {4-[2-(4-Phenyl-piperazin-1-yl)-eth...)
Show SMILES C(CN1CCN(CC1)c1ccccc1)[C@H]1CC[C@@H](CC1)Nc1ncccn1 |wU:17.22,wD:14.15,(9.21,-6.02,;10.05,-7.32,;11.59,-7.24,;12.43,-8.53,;13.97,-8.45,;14.66,-7.08,;13.82,-5.79,;12.29,-5.86,;16.2,-6.99,;17.03,-8.27,;18.56,-8.18,;19.26,-6.83,;18.41,-5.53,;16.88,-5.63,;7.68,-6.1,;6.84,-4.81,;5.31,-4.88,;4.6,-6.26,;5.44,-7.54,;6.98,-7.47,;3.06,-6.33,;2.22,-5.03,;.7,-5.11,;-.14,-3.81,;.56,-2.44,;2.1,-2.37,;2.94,-3.67,)|
Show InChI InChI=1S/C22H31N5/c1-2-5-21(6-3-1)27-17-15-26(16-18-27)14-11-19-7-9-20(10-8-19)25-22-23-12-4-13-24-22/h1-6,12-13,19-20H,7-11,14-18H2,(H,23,24,25)/t19-,20-
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5.20n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity determined by measuring its ability to displace [3H]-N-0437 radioligand in CHO-K1 cells on Cloned Human Dopamine receptor D2


J Med Chem 41: 760-71 (1998)


Article DOI: 10.1021/jm9707378
BindingDB Entry DOI: 10.7270/Q20G3J97
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50063295
PNG
(CHEMBL165664 | [4-(4-Phenyl-piperazin-1-ylmethyl)-...)
Show SMILES C([C@H]1CC[C@@H](CC1)Nc1ncccn1)N1CCN(CC1)c1ccccc1 |wU:4.7,wD:1.0,(7.44,-9.5,;6.6,-8.2,;7.3,-6.83,;6.46,-5.54,;4.91,-5.61,;4.22,-6.99,;5.06,-8.3,;4.07,-4.33,;4.76,-2.95,;3.91,-1.67,;4.61,-.29,;6.16,-.21,;7,-1.5,;6.3,-2.88,;8.98,-9.41,;9.69,-8.05,;11.21,-7.96,;12.06,-9.26,;11.37,-10.64,;9.83,-10.71,;13.6,-9.17,;14.43,-10.46,;15.96,-10.37,;16.66,-9.01,;15.81,-7.72,;14.28,-7.81,)|
Show InChI InChI=1S/C21H29N5/c1-2-5-20(6-3-1)26-15-13-25(14-16-26)17-18-7-9-19(10-8-18)24-21-22-11-4-12-23-21/h1-6,11-12,18-19H,7-10,13-17H2,(H,22,23,24)/t18-,19-
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5.70n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity determined by measuring its ability to displace [3H]-N-0437 radioligand in CHO-K1 cells on Cloned Human Dopamine receptor D2


J Med Chem 41: 760-71 (1998)


Article DOI: 10.1021/jm9707378
BindingDB Entry DOI: 10.7270/Q20G3J97
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50063283
PNG
((4-{2-[4-(4-Methoxy-phenyl)-piperazin-1-yl]-ethyl}...)
Show SMILES COc1ccc(cc1)N1CCN(CC[C@H]2CC[C@@H](CC2)Nc2ncccn2)CC1 |wU:17.21,wD:14.14,(20.52,-8.07,;19.67,-6.75,;18.13,-6.85,;17.27,-5.56,;15.74,-5.65,;15.06,-7.01,;15.89,-8.3,;17.43,-8.23,;13.51,-7.1,;12.82,-8.49,;11.27,-8.56,;10.43,-7.27,;8.88,-7.34,;8.04,-6.05,;6.51,-6.12,;5.67,-4.83,;4.13,-4.9,;3.42,-6.29,;4.26,-7.57,;5.81,-7.5,;1.87,-6.36,;1.03,-5.04,;1.76,-3.69,;.91,-2.37,;-.63,-2.44,;-1.34,-3.83,;-.49,-5.14,;11.13,-5.89,;12.67,-5.82,)|
Show InChI InChI=1S/C23H33N5O/c1-29-22-9-7-21(8-10-22)28-17-15-27(16-18-28)14-11-19-3-5-20(6-4-19)26-23-24-12-2-13-25-23/h2,7-10,12-13,19-20H,3-6,11,14-18H2,1H3,(H,24,25,26)/t19-,20-
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6n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity determined by measuring its ability to displace [3H]-N-0437 radioligand in CHO-K1 cells on Cloned Human Dopamine receptor D2


J Med Chem 41: 760-71 (1998)


Article DOI: 10.1021/jm9707378
BindingDB Entry DOI: 10.7270/Q20G3J97
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50063285
PNG
(CHEMBL165056 | Pyrimidin-2-yl-(4-{2-[4-(3-trifluor...)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CC[C@H]2CC[C@@H](CC2)Nc2ncccn2)CC1 |wU:19.23,wD:16.16,(20.01,-4.08,;18.46,-4.18,;17.62,-2.89,;19.63,-5.21,;17.78,-5.56,;18.62,-6.85,;17.92,-8.23,;16.4,-8.3,;15.56,-7.01,;16.24,-5.65,;14.01,-7.1,;13.33,-8.48,;11.79,-8.55,;10.94,-7.27,;9.4,-7.34,;8.55,-6.05,;7.01,-6.12,;6.17,-4.83,;4.64,-4.9,;3.92,-6.28,;4.76,-7.57,;6.31,-7.5,;2.37,-6.35,;1.53,-5.04,;.01,-5.14,;-.84,-3.82,;-.13,-2.44,;1.41,-2.37,;2.26,-3.68,;11.65,-5.89,;13.17,-5.82,)|
Show InChI InChI=1S/C23H30F3N5/c24-23(25,26)19-3-1-4-21(17-19)31-15-13-30(14-16-31)12-9-18-5-7-20(8-6-18)29-22-27-10-2-11-28-22/h1-4,10-11,17-18,20H,5-9,12-16H2,(H,27,28,29)/t18-,20-
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6n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity determined by measuring its ability to displace [3H]-N-0437 radioligand in CHO-K1 cells on Cloned Human Dopamine receptor D2


J Med Chem 41: 760-71 (1998)


Article DOI: 10.1021/jm9707378
BindingDB Entry DOI: 10.7270/Q20G3J97
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50071238
PNG
(3-(2,4-Dichloro-phenyl)-2,5-dimethyl-7-(2-propyl-p...)
Show SMILES CCCC1CCCCN1c1cc(C)nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl |(11.28,.47,;9.94,1.24,;8.62,.47,;7.28,1.24,;7.28,2.78,;5.94,3.56,;4.61,2.78,;4.61,1.24,;5.94,.45,;5.94,-1.09,;4.61,-1.86,;4.61,-3.41,;3.28,-4.18,;5.94,-4.18,;7.27,-3.41,;8.75,-3.89,;9.68,-2.63,;11.21,-2.63,;8.75,-1.36,;7.27,-1.86,;9.23,-5.35,;10.73,-5.65,;11.21,-7.11,;10.19,-8.27,;10.65,-9.72,;8.68,-7.95,;8.2,-6.48,;6.7,-6.15,)|
Show InChI InChI=1S/C22H26Cl2N4/c1-4-7-17-8-5-6-11-27(17)20-12-14(2)25-22-21(15(3)26-28(20)22)18-10-9-16(23)13-19(18)24/h9-10,12-13,17H,4-8,11H2,1-3H3
PDB
MMDB

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6.40n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Displacement of [125I]-0-CRF from human Corticotropin releasing factor receptor 1 expressed in CHO cells


Bioorg Med Chem Lett 8: 2067-70 (1999)


BindingDB Entry DOI: 10.7270/Q2125RTC
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50063289
PNG
(CHEMBL165140 | {4-[3-(4-Phenyl-piperazin-1-yl)-pro...)
Show SMILES C(C[C@H]1CC[C@@H](CC1)Nc1ncccn1)CN1CCN(CC1)c1ccccc1 |wU:5.8,wD:2.1,(7.79,-8.8,;6.25,-8.89,;5.4,-7.59,;6.11,-6.22,;5.26,-4.94,;3.72,-5.01,;3.03,-6.39,;3.87,-7.7,;2.88,-3.72,;3.56,-2.34,;2.72,-1.06,;3.42,.32,;4.97,.4,;5.81,-.89,;5.11,-2.27,;8.63,-10.11,;10.18,-10.01,;11.02,-11.32,;12.56,-11.24,;13.25,-9.86,;12.41,-8.56,;10.88,-8.64,;14.79,-9.78,;15.63,-11.07,;17.16,-10.97,;17.86,-9.61,;16.99,-8.31,;15.47,-8.41,)|
Show InChI InChI=1S/C23H33N5/c1-2-7-22(8-3-1)28-18-16-27(17-19-28)15-4-6-20-9-11-21(12-10-20)26-23-24-13-5-14-25-23/h1-3,5,7-8,13-14,20-21H,4,6,9-12,15-19H2,(H,24,25,26)/t20-,21-
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7.40n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity determined by measuring its ability to displace [3H]-N-0437 radioligand in CHO-K1 cells on Cloned Human Dopamine receptor D2


J Med Chem 41: 760-71 (1998)


Article DOI: 10.1021/jm9707378
BindingDB Entry DOI: 10.7270/Q20G3J97
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50063277
PNG
((4-{2-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES Fc1ccc(cc1)N1CCN(CC[C@H]2CC[C@@H](CC2)Nc2ncccn2)CC1 |wU:16.20,wD:13.13,(20.1,-6.75,;18.55,-6.85,;17.69,-5.56,;16.16,-5.65,;15.48,-7.01,;16.31,-8.3,;17.85,-8.23,;13.94,-7.11,;13.24,-8.49,;11.7,-8.56,;10.85,-7.27,;9.31,-7.34,;8.46,-6.05,;6.93,-6.12,;6.09,-4.83,;4.55,-4.9,;3.84,-6.29,;4.69,-7.57,;6.23,-7.5,;2.3,-6.36,;1.45,-5.04,;2.18,-3.69,;1.34,-2.37,;-.21,-2.44,;-.91,-3.83,;-.07,-5.14,;11.56,-5.89,;13.09,-5.82,)|
Show InChI InChI=1S/C22H30FN5/c23-19-4-8-21(9-5-19)28-16-14-27(15-17-28)13-10-18-2-6-20(7-3-18)26-22-24-11-1-12-25-22/h1,4-5,8-9,11-12,18,20H,2-3,6-7,10,13-17H2,(H,24,25,26)/t18-,20-
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8.5n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity determined by measuring its ability to displace [3H]-N-0437 radioligand in CHO-K1 cells on Cloned Human Dopamine receptor D2


J Med Chem 41: 760-71 (1998)


Article DOI: 10.1021/jm9707378
BindingDB Entry DOI: 10.7270/Q20G3J97
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50063294
PNG
(CHEMBL349980 | Pyrimidin-2-yl-{4-[2-(4-pyrimidin-2...)
Show SMILES C(CN1CCN(CC1)c1ncccn1)[C@H]1CC[C@@H](CC1)Nc1ncccn1 |wU:17.22,wD:14.15,(9.2,-6.02,;10.04,-7.31,;11.58,-7.23,;12.42,-8.52,;13.96,-8.45,;14.65,-7.08,;13.82,-5.78,;12.28,-5.86,;16.19,-6.98,;17.01,-8.27,;18.55,-8.17,;19.24,-6.82,;18.39,-5.54,;16.87,-5.63,;7.67,-6.1,;6.83,-4.81,;5.3,-4.88,;4.6,-6.25,;5.43,-7.54,;6.97,-7.47,;3.06,-6.31,;2.22,-5.02,;.7,-5.11,;-.13,-3.81,;.57,-2.43,;2.11,-2.36,;2.94,-3.66,)|
Show InChI InChI=1S/C20H29N7/c1-8-21-19(22-9-1)25-18-5-3-17(4-6-18)7-12-26-13-15-27(16-14-26)20-23-10-2-11-24-20/h1-2,8-11,17-18H,3-7,12-16H2,(H,21,22,25)/t17-,18-
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8.60n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
The binding affinity of the compound was determined by measuring its ability to displace [3H]-8-OH-DPAT radioligand in 5-hydroxytryptamine 1A recepto...


J Med Chem 41: 760-71 (1998)


Article DOI: 10.1021/jm9707378
BindingDB Entry DOI: 10.7270/Q20G3J97
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50055719
PNG
(3-{4-[2-(4-Pyridin-2-yl-piperazin-1-yl)-ethyl]-cyc...)
Show SMILES Oc1ccc2[nH]cc([C@H]3CC[C@H](CCN4CCN(CC4)c4ccccn4)CC3)c2c1 |wU:8.7,wD:11.11,(4.67,-5.8,;5.06,-7.28,;4.09,-8.5,;4.64,-9.95,;6.19,-10.17,;7.02,-11.46,;8.53,-11.07,;8.6,-9.5,;9.88,-8.66,;9.88,-7.12,;11.2,-6.35,;12.55,-7.12,;13.87,-6.38,;15.22,-7.12,;16.54,-6.38,;17.89,-7.12,;19.21,-6.38,;19.21,-4.8,;17.86,-4.06,;16.54,-4.83,;20.53,-4.03,;21.88,-4.8,;23.2,-4.03,;23.2,-2.49,;21.85,-1.72,;20.53,-2.49,;12.52,-8.66,;11.2,-9.43,;7.15,-8.98,;6.57,-7.54,)|
Show InChI InChI=1S/C25H32N4O/c30-21-8-9-24-22(17-21)23(18-27-24)20-6-4-19(5-7-20)10-12-28-13-15-29(16-14-28)25-3-1-2-11-26-25/h1-3,8-9,11,17-20,27,30H,4-7,10,12-16H2/t19-,20-
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8.60n/an/an/an/an/an/an/an/a



Division of Warner Lambert Company

Curated by ChEMBL


Assay Description
In vitro binding affinity for dopamine receptor D2 on rat striatal membranes by [3H]-spiperone displacement.


J Med Chem 40: 250-9 (1997)


Article DOI: 10.1021/jm960597m
BindingDB Entry DOI: 10.7270/Q28W3CD4
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50055725
PNG
(3-{4-[2-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-eth...)
Show SMILES C(CN1CCC(=CC1)c1ccccc1)[C@H]1CC[C@@H](CC1)c1c[nH]c2ccccc12 |wU:17.22,wD:14.15,c:5,(13.38,-6.35,;14.7,-7.12,;16.04,-6.35,;17.37,-7.12,;18.7,-6.35,;18.68,-4.79,;17.33,-4.04,;16.02,-4.81,;20.02,-4.02,;21.34,-4.79,;22.68,-4.01,;22.66,-2.47,;21.33,-1.71,;20,-2.48,;12.04,-7.1,;10.71,-6.33,;9.38,-7.1,;9.38,-8.63,;10.71,-9.4,;12.03,-8.64,;8.09,-9.47,;8.03,-11.04,;6.54,-11.43,;5.69,-10.15,;4.15,-9.91,;3.6,-8.47,;4.59,-7.28,;6.1,-7.51,;6.65,-8.95,)|
Show InChI InChI=1S/C27H32N2/c1-2-6-22(7-3-1)23-15-18-29(19-16-23)17-14-21-10-12-24(13-11-21)26-20-28-27-9-5-4-8-25(26)27/h1-9,15,20-21,24,28H,10-14,16-19H2/t21-,24-
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8.70n/an/an/an/an/an/an/an/a



Division of Warner Lambert Company

Curated by ChEMBL


Assay Description
In vitro binding affinity for dopamine receptor D2 on rat striatal membranes by [3H]-spiperone displacement.


J Med Chem 40: 250-9 (1997)


Article DOI: 10.1021/jm960597m
BindingDB Entry DOI: 10.7270/Q28W3CD4
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50063286
PNG
(CHEMBL164723 | {4-[2-(4-Pyridin-3-yl-piperazin-1-y...)
Show SMILES C(CN1CCN(CC1)c1cccnc1)[C@H]1CC[C@@H](CC1)Nc1ncccn1 |wU:17.22,wD:14.15,(9.24,-6.05,;10.08,-7.34,;11.63,-7.27,;12.47,-8.56,;14.02,-8.49,;14.71,-7.11,;13.87,-5.82,;12.33,-5.89,;16.26,-7.01,;17.09,-8.3,;18.62,-8.23,;19.33,-6.85,;18.47,-5.56,;16.94,-5.65,;7.71,-6.12,;6.86,-4.83,;5.33,-4.9,;4.62,-6.29,;5.46,-7.57,;7,-7.5,;3.07,-6.36,;2.23,-5.04,;.7,-5.14,;-.14,-3.83,;.56,-2.44,;2.11,-2.37,;2.95,-3.69,)|
Show InChI InChI=1S/C21H30N6/c1-3-20(17-22-9-1)27-15-13-26(14-16-27)12-8-18-4-6-19(7-5-18)25-21-23-10-2-11-24-21/h1-3,9-11,17-19H,4-8,12-16H2,(H,23,24,25)/t18-,19-
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9.5n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
The binding affinity of the compound was determined by measuring its ability to displace [3H]-8-OH-DPAT radioligand in 5-hydroxytryptamine 1A recepto...


J Med Chem 41: 760-71 (1998)


Article DOI: 10.1021/jm9707378
BindingDB Entry DOI: 10.7270/Q20G3J97
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50063297
PNG
(CHEMBL166252 | Pyrimidin-2-yl-{4-[2-(4-thiazol-2-y...)
Show SMILES C(CN1CCN(CC1)c1nccs1)[C@H]1CC[C@@H](CC1)Nc1ncccn1 |wU:16.21,wD:13.14,(9.51,-6.02,;10.35,-7.3,;11.89,-7.23,;12.59,-5.86,;14.13,-5.79,;14.95,-7.07,;14.27,-8.45,;12.73,-8.52,;16.49,-6.98,;17.32,-5.7,;18.8,-6.07,;18.9,-7.61,;17.46,-8.17,;7.98,-6.09,;7.14,-4.81,;5.62,-4.88,;4.92,-6.25,;5.74,-7.54,;7.28,-7.47,;3.38,-6.3,;2.54,-5.02,;3.25,-3.67,;2.42,-2.36,;.89,-2.43,;.19,-3.81,;1.01,-5.11,)|
Show InChI InChI=1S/C19H28N6S/c1-7-20-18(21-8-1)23-17-4-2-16(3-5-17)6-10-24-11-13-25(14-12-24)19-22-9-15-26-19/h1,7-9,15-17H,2-6,10-14H2,(H,20,21,23)/t16-,17-
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10n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
The binding affinity of the compound was determined by measuring its ability to displace [3H]-8-OH-DPAT radioligand in 5-hydroxytryptamine 1A recepto...


J Med Chem 41: 760-71 (1998)


Article DOI: 10.1021/jm9707378
BindingDB Entry DOI: 10.7270/Q20G3J97
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50063281
PNG
((4-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}...)
Show SMILES COc1ccccc1N1CCN(CC[C@H]2CC[C@@H](CC2)Nc2ncccn2)CC1 |wU:17.21,wD:14.14,(16.78,-2.98,;16.09,-4.37,;16.94,-5.65,;18.47,-5.56,;19.33,-6.85,;18.62,-8.23,;17.09,-8.3,;16.26,-7.01,;14.71,-7.11,;14.02,-8.49,;12.47,-8.56,;11.63,-7.27,;10.08,-7.34,;9.24,-6.05,;7.71,-6.12,;6.86,-4.83,;5.33,-4.9,;4.62,-6.29,;5.46,-7.57,;7,-7.5,;3.07,-6.36,;2.23,-5.04,;2.95,-3.69,;2.11,-2.37,;.56,-2.44,;-.14,-3.83,;.7,-5.14,;12.33,-5.89,;13.87,-5.82,)|
Show InChI InChI=1S/C23H33N5O/c1-29-22-6-3-2-5-21(22)28-17-15-27(16-18-28)14-11-19-7-9-20(10-8-19)26-23-24-12-4-13-25-23/h2-6,12-13,19-20H,7-11,14-18H2,1H3,(H,24,25,26)/t19-,20-
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11n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity determined by measuring displacement of [3H]-spiperone from cloned Human Dopamine receptor D3 in CHO-K1 cells


J Med Chem 41: 760-71 (1998)


Article DOI: 10.1021/jm9707378
BindingDB Entry DOI: 10.7270/Q20G3J97
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50063298
PNG
((4-{2-[4-(2,3-Dichloro-phenyl)-piperazin-1-yl]-eth...)
Show SMILES Clc1cccc(N2CCN(CC[C@H]3CC[C@@H](CC3)Nc3ncccn3)CC2)c1Cl |wU:15.18,wD:12.11,(19.11,-4.18,;18.42,-5.56,;19.28,-6.84,;18.57,-8.23,;17.04,-8.3,;16.21,-7.01,;14.66,-7.1,;13.82,-5.81,;12.29,-5.88,;11.59,-7.27,;10.04,-7.34,;9.2,-6.05,;7.66,-6.12,;6.82,-4.83,;5.29,-4.9,;4.57,-6.28,;5.42,-7.57,;6.96,-7.5,;3.03,-6.35,;2.19,-5.04,;.66,-5.13,;-.18,-3.82,;.52,-2.44,;2.07,-2.37,;2.91,-3.68,;12.43,-8.55,;13.98,-8.48,;16.89,-5.65,;16.04,-4.36,)|
Show InChI InChI=1S/C22H29Cl2N5/c23-19-3-1-4-20(21(19)24)29-15-13-28(14-16-29)12-9-17-5-7-18(8-6-17)27-22-25-10-2-11-26-22/h1-4,10-11,17-18H,5-9,12-16H2,(H,25,26,27)/t17-,18-
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11n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity determined by measuring its ability to displace [3H]-N-0437 radioligand in CHO-K1 cells on Cloned Human Dopamine receptor D2


J Med Chem 41: 760-71 (1998)


Article DOI: 10.1021/jm9707378
BindingDB Entry DOI: 10.7270/Q20G3J97
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50071229
PNG
(CHEMBL302645 | [3-(2,4-Dichloro-phenyl)-2,5-dimeth...)
Show SMILES CCN(CCOC)c1cc(C)nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl |(7.35,2.01,;7.38,.47,;6.03,-.32,;4.69,.45,;4.69,1.99,;3.34,2.76,;3.34,4.31,;6.03,-1.86,;4.69,-2.63,;4.69,-4.18,;3.37,-4.94,;6.03,-4.94,;7.35,-4.18,;8.82,-4.66,;9.75,-3.4,;11.29,-3.4,;8.82,-2.13,;7.35,-2.63,;9.3,-6.12,;10.81,-6.42,;11.29,-7.88,;10.26,-9.04,;10.74,-10.49,;8.76,-8.71,;8.28,-7.25,;6.77,-6.92,)|
Show InChI InChI=1S/C19H22Cl2N4O/c1-5-24(8-9-26-4)17-10-12(2)22-19-18(13(3)23-25(17)19)15-7-6-14(20)11-16(15)21/h6-7,10-11H,5,8-9H2,1-4H3
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11n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Displacement of [125I]-0-CRF from human Corticotropin releasing factor receptor 1 expressed in CHO cells


Bioorg Med Chem Lett 8: 2067-70 (1999)


BindingDB Entry DOI: 10.7270/Q2125RTC
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50063280
PNG
(CHEMBL355371 | {4-[2-(4-Pyridin-2-yl-piperazin-1-y...)
Show SMILES C(CN1CCN(CC1)c1ccccn1)[C@H]1CC[C@@H](CC1)Nc1ncccn1 |wU:17.22,wD:14.15,(9.19,-6.02,;10.03,-7.31,;11.57,-7.24,;12.41,-8.52,;13.95,-8.45,;14.64,-7.07,;13.8,-5.79,;12.27,-5.86,;16.18,-6.98,;17,-8.26,;18.54,-8.19,;19.23,-6.82,;18.38,-5.53,;16.86,-5.63,;7.67,-6.09,;6.83,-4.81,;5.3,-4.88,;4.59,-6.26,;5.43,-7.54,;6.97,-7.47,;3.05,-6.33,;2.21,-5.02,;.7,-5.11,;-.14,-3.81,;.56,-2.43,;2.1,-2.36,;2.94,-3.67,)|
Show InChI InChI=1S/C21H30N6/c1-2-10-22-20(4-1)27-16-14-26(15-17-27)13-9-18-5-7-19(8-6-18)25-21-23-11-3-12-24-21/h1-4,10-12,18-19H,5-9,13-17H2,(H,23,24,25)/t18-,19-
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12n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity determined by measuring its ability to displace [3H]-N-0437 radioligand in CHO-K1 cells on Cloned Human Dopamine receptor D2


J Med Chem 41: 760-71 (1998)


Article DOI: 10.1021/jm9707378
BindingDB Entry DOI: 10.7270/Q20G3J97
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50063283
PNG
((4-{2-[4-(4-Methoxy-phenyl)-piperazin-1-yl]-ethyl}...)
Show SMILES COc1ccc(cc1)N1CCN(CC[C@H]2CC[C@@H](CC2)Nc2ncccn2)CC1 |wU:17.21,wD:14.14,(20.52,-8.07,;19.67,-6.75,;18.13,-6.85,;17.27,-5.56,;15.74,-5.65,;15.06,-7.01,;15.89,-8.3,;17.43,-8.23,;13.51,-7.1,;12.82,-8.49,;11.27,-8.56,;10.43,-7.27,;8.88,-7.34,;8.04,-6.05,;6.51,-6.12,;5.67,-4.83,;4.13,-4.9,;3.42,-6.29,;4.26,-7.57,;5.81,-7.5,;1.87,-6.36,;1.03,-5.04,;1.76,-3.69,;.91,-2.37,;-.63,-2.44,;-1.34,-3.83,;-.49,-5.14,;11.13,-5.89,;12.67,-5.82,)|
Show InChI InChI=1S/C23H33N5O/c1-29-22-9-7-21(8-10-22)28-17-15-27(16-18-28)14-11-19-3-5-20(6-4-19)26-23-24-12-2-13-25-23/h2,7-10,12-13,19-20H,3-6,11,14-18H2,1H3,(H,24,25,26)/t19-,20-
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13n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
The binding affinity of the compound was determined by measuring its ability to displace [3H]-8-OH-DPAT radioligand in 5-hydroxytryptamine 1A recepto...


J Med Chem 41: 760-71 (1998)


Article DOI: 10.1021/jm9707378
BindingDB Entry DOI: 10.7270/Q20G3J97
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50063285
PNG
(CHEMBL165056 | Pyrimidin-2-yl-(4-{2-[4-(3-trifluor...)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CC[C@H]2CC[C@@H](CC2)Nc2ncccn2)CC1 |wU:19.23,wD:16.16,(20.01,-4.08,;18.46,-4.18,;17.62,-2.89,;19.63,-5.21,;17.78,-5.56,;18.62,-6.85,;17.92,-8.23,;16.4,-8.3,;15.56,-7.01,;16.24,-5.65,;14.01,-7.1,;13.33,-8.48,;11.79,-8.55,;10.94,-7.27,;9.4,-7.34,;8.55,-6.05,;7.01,-6.12,;6.17,-4.83,;4.64,-4.9,;3.92,-6.28,;4.76,-7.57,;6.31,-7.5,;2.37,-6.35,;1.53,-5.04,;.01,-5.14,;-.84,-3.82,;-.13,-2.44,;1.41,-2.37,;2.26,-3.68,;11.65,-5.89,;13.17,-5.82,)|
Show InChI InChI=1S/C23H30F3N5/c24-23(25,26)19-3-1-4-21(17-19)31-15-13-30(14-16-31)12-9-18-5-7-20(8-6-18)29-22-27-10-2-11-28-22/h1-4,10-11,17-18,20H,5-9,12-16H2,(H,27,28,29)/t18-,20-
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13n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
The binding affinity of the compound was determined by measuring its ability to displace [3H]-8-OH-DPAT radioligand in 5-hydroxytryptamine 1A recepto...


J Med Chem 41: 760-71 (1998)


Article DOI: 10.1021/jm9707378
BindingDB Entry DOI: 10.7270/Q20G3J97
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50063296
PNG
(CHEMBL165679 | {4-[2-(4-Phenyl-piperazin-1-yl)-eth...)
Show SMILES C(CN1CCN(CC1)c1ccccc1)[C@H]1CC[C@@H](CC1)Nc1ncccn1 |wU:17.22,wD:14.15,(9.21,-6.02,;10.05,-7.32,;11.59,-7.24,;12.43,-8.53,;13.97,-8.45,;14.66,-7.08,;13.82,-5.79,;12.29,-5.86,;16.2,-6.99,;17.03,-8.27,;18.56,-8.18,;19.26,-6.83,;18.41,-5.53,;16.88,-5.63,;7.68,-6.1,;6.84,-4.81,;5.31,-4.88,;4.6,-6.26,;5.44,-7.54,;6.98,-7.47,;3.06,-6.33,;2.22,-5.03,;.7,-5.11,;-.14,-3.81,;.56,-2.44,;2.1,-2.37,;2.94,-3.67,)|
Show InChI InChI=1S/C22H31N5/c1-2-5-21(6-3-1)27-17-15-26(16-18-27)14-11-19-7-9-20(10-8-19)25-22-23-12-4-13-24-22/h1-6,12-13,19-20H,7-11,14-18H2,(H,23,24,25)/t19-,20-
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13.7n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity determined by measuring displacement of [3H]-spiperone from cloned Human Dopamine receptor D3 in CHO-K1 cells


J Med Chem 41: 760-71 (1998)


Article DOI: 10.1021/jm9707378
BindingDB Entry DOI: 10.7270/Q20G3J97
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50002173
PNG
(3-(4-(3,6-dihydro-4-phenyl-1(2H)-pyridinyl)butyl)-...)
Show SMILES Oc1ccc2[nH]cc(CCCCN3CCC(=CC3)c3ccccc3)c2c1 |c:15|
Show InChI InChI=1S/C23H26N2O/c26-21-9-10-23-22(16-21)20(17-24-23)8-4-5-13-25-14-11-19(12-15-25)18-6-2-1-3-7-18/h1-3,6-7,9-11,16-17,24,26H,4-5,8,12-15H2
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14n/an/an/an/an/an/an/an/a



Division of Warner Lambert Company

Curated by ChEMBL


Assay Description
In vitro binding affinity for dopamine receptor D2 on rat striatal membranes by [3H]-spiperone displacement.


J Med Chem 40: 250-9 (1997)


Article DOI: 10.1021/jm960597m
BindingDB Entry DOI: 10.7270/Q28W3CD4
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50071233
PNG
(Butyl-[3-(2-chloro-phenyl)-2,5-dimethyl-pyrazolo[1...)
Show SMILES CCCCN(CC)c1cc(C)nc2c(c(C)nn12)-c1ccccc1Cl |(8.21,3.42,;8.21,1.88,;6.89,1.11,;6.89,-.43,;5.55,-1.22,;4.23,-.45,;4.23,1.09,;5.55,-2.76,;4.23,-3.52,;4.23,-5.07,;2.89,-5.84,;5.55,-5.84,;6.89,-5.07,;8.36,-5.55,;9.29,-4.29,;10.81,-4.29,;8.36,-3.02,;6.89,-3.52,;8.84,-7.02,;7.82,-8.15,;8.3,-9.61,;9.81,-9.93,;10.83,-8.78,;10.35,-7.32,;11.38,-6.16,)|
Show InChI InChI=1S/C20H25ClN4/c1-5-7-12-24(6-2)18-13-14(3)22-20-19(15(4)23-25(18)20)16-10-8-9-11-17(16)21/h8-11,13H,5-7,12H2,1-4H3
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15n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Displacement of [125I]-0-CRF from human Corticotropin releasing factor receptor 1 expressed in CHO cells


Bioorg Med Chem Lett 8: 2067-70 (1999)


BindingDB Entry DOI: 10.7270/Q2125RTC
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50063289
PNG
(CHEMBL165140 | {4-[3-(4-Phenyl-piperazin-1-yl)-pro...)
Show SMILES C(C[C@H]1CC[C@@H](CC1)Nc1ncccn1)CN1CCN(CC1)c1ccccc1 |wU:5.8,wD:2.1,(7.79,-8.8,;6.25,-8.89,;5.4,-7.59,;6.11,-6.22,;5.26,-4.94,;3.72,-5.01,;3.03,-6.39,;3.87,-7.7,;2.88,-3.72,;3.56,-2.34,;2.72,-1.06,;3.42,.32,;4.97,.4,;5.81,-.89,;5.11,-2.27,;8.63,-10.11,;10.18,-10.01,;11.02,-11.32,;12.56,-11.24,;13.25,-9.86,;12.41,-8.56,;10.88,-8.64,;14.79,-9.78,;15.63,-11.07,;17.16,-10.97,;17.86,-9.61,;16.99,-8.31,;15.47,-8.41,)|
Show InChI InChI=1S/C23H33N5/c1-2-7-22(8-3-1)28-18-16-27(17-19-28)15-4-6-20-9-11-21(12-10-20)26-23-24-13-5-14-25-23/h1-3,5,7-8,13-14,20-21H,4,6,9-12,15-19H2,(H,24,25,26)/t20-,21-
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16n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
The binding affinity of the compound was determined by measuring its ability to displace [3H]-8-OH-DPAT radioligand in 5-hydroxytryptamine 1A recepto...


J Med Chem 41: 760-71 (1998)


Article DOI: 10.1021/jm9707378
BindingDB Entry DOI: 10.7270/Q20G3J97
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50063288
PNG
(CHEMBL165047 | Methyl-{4-[2-(4-phenyl-piperazin-1-...)
Show SMILES CN([C@H]1CC[C@H](CCN2CCN(CC2)c2ccccc2)CC1)c1ncccn1 |wU:2.1,wD:5.5,(2.36,-7.7,;3.06,-6.33,;4.6,-6.26,;5.31,-4.88,;6.85,-4.81,;7.69,-6.11,;9.22,-6.03,;10.06,-7.32,;11.6,-7.25,;12.3,-5.87,;13.84,-5.8,;14.68,-7.08,;13.98,-8.46,;12.44,-8.54,;16.22,-7,;16.9,-5.63,;18.43,-5.54,;19.28,-6.83,;18.58,-8.19,;17.05,-8.28,;6.99,-7.48,;5.45,-7.55,;2.22,-5.03,;.7,-5.12,;-.14,-3.82,;.56,-2.44,;2.1,-2.37,;2.94,-3.67,)|
Show InChI InChI=1S/C23H33N5/c1-26(23-24-13-5-14-25-23)21-10-8-20(9-11-21)12-15-27-16-18-28(19-17-27)22-6-3-2-4-7-22/h2-7,13-14,20-21H,8-12,15-19H2,1H3/t20-,21-
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24n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity determined by measuring displacement of [3H]-spiperone from cloned Human Dopamine receptor D3 in CHO-K1 cells


J Med Chem 41: 760-71 (1998)


Article DOI: 10.1021/jm9707378
BindingDB Entry DOI: 10.7270/Q20G3J97
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50063286
PNG
(CHEMBL164723 | {4-[2-(4-Pyridin-3-yl-piperazin-1-y...)
Show SMILES C(CN1CCN(CC1)c1cccnc1)[C@H]1CC[C@@H](CC1)Nc1ncccn1 |wU:17.22,wD:14.15,(9.24,-6.05,;10.08,-7.34,;11.63,-7.27,;12.47,-8.56,;14.02,-8.49,;14.71,-7.11,;13.87,-5.82,;12.33,-5.89,;16.26,-7.01,;17.09,-8.3,;18.62,-8.23,;19.33,-6.85,;18.47,-5.56,;16.94,-5.65,;7.71,-6.12,;6.86,-4.83,;5.33,-4.9,;4.62,-6.29,;5.46,-7.57,;7,-7.5,;3.07,-6.36,;2.23,-5.04,;.7,-5.14,;-.14,-3.83,;.56,-2.44,;2.11,-2.37,;2.95,-3.69,)|
Show InChI InChI=1S/C21H30N6/c1-3-20(17-22-9-1)27-15-13-26(14-16-27)12-8-18-4-6-19(7-5-18)25-21-23-10-2-11-24-21/h1-3,9-11,17-19H,4-8,12-16H2,(H,23,24,25)/t18-,19-
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25n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity determined by measuring its ability to displace [3H]-N-0437 radioligand in CHO-K1 cells on Cloned Human Dopamine receptor D2


J Med Chem 41: 760-71 (1998)


Article DOI: 10.1021/jm9707378
BindingDB Entry DOI: 10.7270/Q20G3J97
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50063280
PNG
(CHEMBL355371 | {4-[2-(4-Pyridin-2-yl-piperazin-1-y...)
Show SMILES C(CN1CCN(CC1)c1ccccn1)[C@H]1CC[C@@H](CC1)Nc1ncccn1 |wU:17.22,wD:14.15,(9.19,-6.02,;10.03,-7.31,;11.57,-7.24,;12.41,-8.52,;13.95,-8.45,;14.64,-7.07,;13.8,-5.79,;12.27,-5.86,;16.18,-6.98,;17,-8.26,;18.54,-8.19,;19.23,-6.82,;18.38,-5.53,;16.86,-5.63,;7.67,-6.09,;6.83,-4.81,;5.3,-4.88,;4.59,-6.26,;5.43,-7.54,;6.97,-7.47,;3.05,-6.33,;2.21,-5.02,;.7,-5.11,;-.14,-3.81,;.56,-2.43,;2.1,-2.36,;2.94,-3.67,)|
Show InChI InChI=1S/C21H30N6/c1-2-10-22-20(4-1)27-16-14-26(15-17-27)13-9-18-5-7-19(8-6-18)25-21-23-11-3-12-24-21/h1-4,10-12,18-19H,5-9,13-17H2,(H,23,24,25)/t18-,19-
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26n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity determined by measuring displacement of [3H]-spiperone from cloned Human Dopamine receptor D3 in CHO-K1 cells


J Med Chem 41: 760-71 (1998)


Article DOI: 10.1021/jm9707378
BindingDB Entry DOI: 10.7270/Q20G3J97
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50055731
PNG
(3-{4-[2-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-eth...)
Show SMILES C(CN1CCC(=CC1)c1ccccc1)[C@H]1CC[C@H](CC1)c1c[nH]c2ccccc12 |wU:17.22,14.15,c:5,(13.37,-6.33,;14.69,-7.1,;16.03,-6.36,;17.35,-7.1,;18.69,-6.33,;18.67,-4.79,;17.32,-4.02,;16.01,-4.82,;20,-4.02,;21.33,-4.79,;22.66,-4.02,;22.64,-2.48,;21.32,-1.71,;19.98,-2.48,;12.03,-7.1,;12.02,-8.63,;10.71,-9.37,;9.37,-8.6,;9.37,-7.1,;10.71,-6.33,;8.09,-9.47,;8.02,-11.01,;6.54,-11.42,;5.68,-10.14,;4.15,-9.92,;3.6,-8.47,;4.58,-7.26,;6.09,-7.51,;6.65,-8.92,)|
Show InChI InChI=1S/C27H32N2/c1-2-6-22(7-3-1)23-15-18-29(19-16-23)17-14-21-10-12-24(13-11-21)26-20-28-27-9-5-4-8-25(26)27/h1-9,15,20-21,24,28H,10-14,16-19H2/t21-,24+
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28n/an/an/an/an/an/an/an/a



Division of Warner Lambert Company

Curated by ChEMBL


Assay Description
In vitro binding affinity for dopamine receptor D2 on rat striatal membranes by [3H]-spiperone displacement.


J Med Chem 40: 250-9 (1997)


Article DOI: 10.1021/jm960597m
BindingDB Entry DOI: 10.7270/Q28W3CD4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50063282
PNG
(CHEMBL2110308 | {4-[2-(4-Phenyl-piperazin-1-yl)-et...)
Show SMILES C1CC(CCC1Nc1ncccn1)N1CCN(CC1)c1ccccc1 |(8.5,-10.43,;10.04,-10.36,;10.74,-8.99,;9.9,-7.69,;8.36,-7.77,;7.66,-9.13,;6.12,-9.2,;5.28,-7.92,;3.77,-7.99,;2.93,-6.71,;3.63,-5.33,;5.17,-5.26,;6.01,-6.54,;12.28,-8.9,;13.12,-10.21,;14.66,-10.13,;15.34,-8.75,;14.5,-7.45,;12.98,-7.54,;16.88,-8.67,;17.72,-9.95,;19.24,-9.86,;19.94,-8.5,;19.09,-7.21,;17.56,-7.31,)|
Show InChI InChI=1S/C20H27N5/c1-2-5-18(6-3-1)24-13-15-25(16-14-24)19-9-7-17(8-10-19)23-20-21-11-4-12-22-20/h1-6,11-12,17,19H,7-10,13-16H2,(H,21,22,23)
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28n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity determined by measuring its ability to displace [3H]-N-0437 radioligand in CHO-K1 cells on Cloned Human Dopamine receptor D2


J Med Chem 41: 760-71 (1998)


Article DOI: 10.1021/jm9707378
BindingDB Entry DOI: 10.7270/Q20G3J97
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50455438
PNG
(CHEMBL3084971)
Show SMILES C(CN1CCN(CC1)c1ccccc1)[C@H]1CC[C@H](CC1)Nc1ncccn1 |wU:17.22,14.15,(9.21,-6,;10.05,-7.3,;11.58,-7.21,;12.42,-8.52,;13.96,-8.42,;14.64,-7.05,;13.8,-5.77,;12.28,-5.84,;16.18,-6.98,;17.02,-8.26,;18.53,-8.17,;19.23,-6.81,;18.39,-5.51,;16.85,-5.6,;7.67,-6.09,;6.97,-7.44,;5.43,-7.51,;4.59,-6.23,;5.31,-4.86,;6.83,-4.79,;3.05,-6.3,;2.21,-5.02,;.7,-5.09,;-.14,-3.81,;.56,-2.43,;2.1,-2.36,;2.94,-3.64,)|
Show InChI InChI=1S/C22H31N5/c1-2-5-21(6-3-1)27-17-15-26(16-18-27)14-11-19-7-9-20(10-8-19)25-22-23-12-4-13-24-22/h1-6,12-13,19-20H,7-11,14-18H2,(H,23,24,25)/t19-,20+
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28n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity determined by measuring its ability to displace [3H]-N-0437 radioligand in CHO-K1 cells on Cloned Human Dopamine receptor D2


J Med Chem 41: 760-71 (1998)


Article DOI: 10.1021/jm9707378
BindingDB Entry DOI: 10.7270/Q20G3J97
More data for this
Ligand-Target Pair
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