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Compile Data Set for Download or QSAR

Found 467 hits with Last Name = 'martin' and Initial = 'ge'   
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
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50069019
PNG
(7-Chloro-1-(4-fluoro-phenyl)-8,9-dimethoxy-4-methy...)
Show SMILES COc1c2N(CC3CN(C)CCc(c23)c(Cl)c1OC)c1ccc(F)cc1
Show InChI InChI=1S/C20H22ClFN2O2/c1-23-9-8-15-16-12(10-23)11-24(14-6-4-13(22)5-7-14)18(16)20(26-3)19(25-2)17(15)21/h4-7,12H,8-11H2,1-3H3
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0.0900n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Affinity for 5-hydroxytryptamine 2 receptor


Bioorg Med Chem Lett 8: 983-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00138-3
BindingDB Entry DOI: 10.7270/Q2Q81C7Z
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50001885
PNG
((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...)
Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
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0.200n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
The binding affinity was measured on 5-hydroxytryptamine 2 receptor in rat brain tissue


J Med Chem 35: 552-8 (1992)


Article DOI: 10.1021/jm00081a018
BindingDB Entry DOI: 10.7270/Q2PR7WMW
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
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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0.200n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine receptor D2 by displacing [3H]spiperone radioligand in rat striatum


J Med Chem 35: 552-8 (1992)


Article DOI: 10.1021/jm00081a018
BindingDB Entry DOI: 10.7270/Q2PR7WMW
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
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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0.200n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Affinity for Dopamine receptor D2


Bioorg Med Chem Lett 8: 983-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00138-3
BindingDB Entry DOI: 10.7270/Q2Q81C7Z
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50001885
PNG
((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...)
Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
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0.200n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Affinity for 5-hydroxytryptamine 2 receptor


Bioorg Med Chem Lett 8: 983-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00138-3
BindingDB Entry DOI: 10.7270/Q2Q81C7Z
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50001775
PNG
((ritanserin)6-(2-{4-[Bis-(4-fluoro-phenyl)-methyle...)
Show SMILES Cc1nc2sccn2c(=O)c1CCN1CCC(CC1)=C(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3
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0.260n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
The compound was tested for its binding affinity towards 5-hydroxytryptamine 2 receptor by displacing [3H]ketanserin radioligand in rat cerebral cort...


J Med Chem 35: 552-8 (1992)


Article DOI: 10.1021/jm00081a018
BindingDB Entry DOI: 10.7270/Q2PR7WMW
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50069011
PNG
(1-(4-Fluoro-phenyl)-8,9-dimethoxy-4-methyl-2,2a,3,...)
Show SMILES COc1cc2CCN(C)CC3CN(c(c23)c1OC)c1ccc(F)cc1
Show InChI InChI=1S/C20H23FN2O2/c1-22-9-8-13-10-17(24-2)20(25-3)19-18(13)14(11-22)12-23(19)16-6-4-15(21)5-7-16/h4-7,10,14H,8-9,11-12H2,1-3H3
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0.410n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Affinity for 5-hydroxytryptamine 2 receptor


Bioorg Med Chem Lett 8: 983-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00138-3
BindingDB Entry DOI: 10.7270/Q2Q81C7Z
More data for this
Ligand-Target Pair
Cholecystokinin B


(GUINEA PIG)
BDBM21147
PNG
((3S)-3-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(3S)-3-...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C49H62N10O16S3/c1-76-18-16-34(55-47(69)37(58-44(66)32(50)23-41(61)62)21-28-12-14-30(15-13-28)75-78(72,73)74)45(67)53-26-40(60)54-38(22-29-25-52-33-11-7-6-10-31(29)33)48(70)56-35(17-19-77-2)46(68)59-39(24-42(63)64)49(71)57-36(43(51)65)20-27-8-4-3-5-9-27/h3-15,25,32,34-39,52H,16-24,26,50H2,1-2H3,(H2,51,65)(H,53,67)(H,54,60)(H,55,69)(H,56,70)(H,57,71)(H,58,66)(H,59,68)(H,61,62)(H,63,64)(H,72,73,74)/t32-,34-,35-,36-,37-,38-,39-/m0/s1
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0.430n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer Central Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 273: 1015-22 (1995)


BindingDB Entry DOI: 10.7270/Q2QV3K1C
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50001876
PNG
(1-{5-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl...)
Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCCC3=O)n2C)CC1
Show InChI InChI=1S/C26H38N4O2/c1-21(2)32-25-10-7-6-9-24(25)29-17-15-28(16-18-29)19-22-12-13-23(27(22)3)20-30-14-8-4-5-11-26(30)31/h6-7,9-10,12-13,21H,4-5,8,11,14-20H2,1-3H3
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0.450n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine receptor D2 by displacing [3H]spiperone radioligand in rat striatum


J Med Chem 35: 552-8 (1992)


Article DOI: 10.1021/jm00081a018
BindingDB Entry DOI: 10.7270/Q2PR7WMW
More data for this
Ligand-Target Pair
Cholecystokinin B


(GUINEA PIG)
BDBM82403
PNG
(CAS_108186 | CI-988 | NSC_108186)
Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCC(NC(=O)CCC(O)=O)c1ccccc1
Show InChI InChI=1S/C35H42N4O6/c1-35(18-26-19-36-28-10-6-5-9-27(26)28,39-34(44)45-32-24-14-21-13-22(16-24)17-25(32)15-21)33(43)37-20-29(23-7-3-2-4-8-23)38-30(40)11-12-31(41)42/h2-10,19,21-22,24-25,29,32,36H,11-18,20H2,1H3,(H,37,43)(H,38,40)(H,39,44)(H,41,42)
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0.460n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer Central Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 273: 1015-22 (1995)


BindingDB Entry DOI: 10.7270/Q2QV3K1C
More data for this
Ligand-Target Pair
CCKBR


(GUINEA PIG)
BDBM50005463
PNG
((R)-1H-Indole-2-carboxylic acid (1-methyl-2-oxo-5-...)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)c2cc3ccccc3[nH]2)C1=O)c1ccccc1
Show InChI InChI=1S/C25H20N4O2/c1-29-21-14-8-6-12-18(21)22(16-9-3-2-4-10-16)27-23(25(29)31)28-24(30)20-15-17-11-5-7-13-19(17)26-20/h2-15,23,26H,1H3,(H,28,30)/t23-/m1/s1
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0.460n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer Central Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 273: 1015-22 (1995)


BindingDB Entry DOI: 10.7270/Q2QV3K1C
More data for this
Ligand-Target Pair
Cholecystokinin B


(GUINEA PIG)
BDBM82404
PNG
(Glycinamide,N-[[[3-(2-sulfoethyl)phenyl]amino]carb...)
Show SMILES COc1cccc(c1)N(C(=O)CNC(=O)c1cccc(CCS(O)(=O)=O)c1)C(=O)N(C)c1ccccc1
Show InChI InChI=1S/C26H27N3O7S/c1-28(21-10-4-3-5-11-21)26(32)29(22-12-7-13-23(17-22)36-2)24(30)18-27-25(31)20-9-6-8-19(16-20)14-15-37(33,34)35/h3-13,16-17H,14-15,18H2,1-2H3,(H,27,31)(H,33,34,35)
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0.480n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer Central Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 273: 1015-22 (1995)


BindingDB Entry DOI: 10.7270/Q2QV3K1C
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50069016
PNG
(1-(4-Fluoro-phenyl)-4-methyl-2,2a,3,4,5,6-hexahydr...)
Show SMILES CN1CCc2cccc3N(CC(C1)c23)c1ccc(F)cc1
Show InChI InChI=1S/C18H19FN2/c1-20-10-9-13-3-2-4-17-18(13)14(11-20)12-21(17)16-7-5-15(19)6-8-16/h2-8,14H,9-12H2,1H3
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0.620n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Affinity for 5-hydroxytryptamine 2 receptor


Bioorg Med Chem Lett 8: 983-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00138-3
BindingDB Entry DOI: 10.7270/Q2Q81C7Z
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50001855
PNG
(1-{5-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl...)
Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCCCC3=O)n2C)CC1
Show InChI InChI=1S/C27H40N4O2/c1-22(2)33-26-11-8-7-10-25(26)30-18-16-29(17-19-30)20-23-13-14-24(28(23)3)21-31-15-9-5-4-6-12-27(31)32/h7-8,10-11,13-14,22H,4-6,9,12,15-21H2,1-3H3
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0.650n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine receptor D2 by displacing [3H]spiperone radioligand in rat striatum


J Med Chem 35: 552-8 (1992)


Article DOI: 10.1021/jm00081a018
BindingDB Entry DOI: 10.7270/Q2PR7WMW
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50001888
PNG
((chloropromazine) [3-(2-Chloro-phenothiazin-10-yl)...)
Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3
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0.700n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity determined in radioreceptor binding assay by using [3H]ketanserin radioligand against 5-hydroxytryptamine 2 receptor


J Med Chem 35: 552-8 (1992)


Article DOI: 10.1021/jm00081a018
BindingDB Entry DOI: 10.7270/Q2PR7WMW
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50001869
PNG
(1-{5-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl...)
Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)n2C)CC1
Show InChI InChI=1S/C25H36N4O2/c1-20(2)31-24-9-5-4-8-23(24)28-16-14-27(15-17-28)18-21-11-12-22(26(21)3)19-29-13-7-6-10-25(29)30/h4-5,8-9,11-12,20H,6-7,10,13-19H2,1-3H3
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0.800n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine receptor D2 by displacing [3H]spiperone radioligand in rat striatum


J Med Chem 35: 552-8 (1992)


Article DOI: 10.1021/jm00081a018
BindingDB Entry DOI: 10.7270/Q2PR7WMW
More data for this
Ligand-Target Pair
Cholecystokinin B


(GUINEA PIG)
BDBM82404
PNG
(Glycinamide,N-[[[3-(2-sulfoethyl)phenyl]amino]carb...)
Show SMILES COc1cccc(c1)N(C(=O)CNC(=O)c1cccc(CCS(O)(=O)=O)c1)C(=O)N(C)c1ccccc1
Show InChI InChI=1S/C26H27N3O7S/c1-28(21-10-4-3-5-11-21)26(32)29(22-12-7-13-23(17-22)36-2)24(30)18-27-25(31)20-9-6-8-19(16-20)14-15-37(33,34)35/h3-13,16-17H,14-15,18H2,1-2H3,(H,27,31)(H,33,34,35)
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0.800n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer Central Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 273: 1015-22 (1995)


BindingDB Entry DOI: 10.7270/Q2QV3K1C
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50069012
PNG
(1-(4-Fluoro-phenyl)-8,9-dimethoxy-2,2a,3,4,5,6-hex...)
Show SMILES COc1cc2CCNCC3CN(c(c23)c1OC)c1ccc(F)cc1
Show InChI InChI=1S/C19H21FN2O2/c1-23-16-9-12-7-8-21-10-13-11-22(15-5-3-14(20)4-6-15)18(17(12)13)19(16)24-2/h3-6,9,13,21H,7-8,10-11H2,1-2H3
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1n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Affinity for 5-hydroxytryptamine 2 receptor


Bioorg Med Chem Lett 8: 983-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00138-3
BindingDB Entry DOI: 10.7270/Q2Q81C7Z
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50001889
PNG
(1-{5-[4-(2-sec-Butoxy-phenyl)-piperazin-1-ylmethyl...)
Show SMILES CCC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)n2C)CC1
Show InChI InChI=1S/C26H38N4O2/c1-4-21(2)32-25-10-6-5-9-24(25)29-17-15-28(16-18-29)19-22-12-13-23(27(22)3)20-30-14-8-7-11-26(30)31/h5-6,9-10,12-13,21H,4,7-8,11,14-20H2,1-3H3
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1.10n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine receptor D2 by displacing [3H]spiperone radioligand in rat striatum


J Med Chem 35: 552-8 (1992)


Article DOI: 10.1021/jm00081a018
BindingDB Entry DOI: 10.7270/Q2PR7WMW
More data for this
Ligand-Target Pair
Cholecystokinin B


(GUINEA PIG)
BDBM21147
PNG
((3S)-3-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(3S)-3-...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C49H62N10O16S3/c1-76-18-16-34(55-47(69)37(58-44(66)32(50)23-41(61)62)21-28-12-14-30(15-13-28)75-78(72,73)74)45(67)53-26-40(60)54-38(22-29-25-52-33-11-7-6-10-31(29)33)48(70)56-35(17-19-77-2)46(68)59-39(24-42(63)64)49(71)57-36(43(51)65)20-27-8-4-3-5-9-27/h3-15,25,32,34-39,52H,16-24,26,50H2,1-2H3,(H2,51,65)(H,53,67)(H,54,60)(H,55,69)(H,56,70)(H,57,71)(H,58,66)(H,59,68)(H,61,62)(H,63,64)(H,72,73,74)/t32-,34-,35-,36-,37-,38-,39-/m0/s1
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1.10n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer Central Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 273: 1015-22 (1995)


BindingDB Entry DOI: 10.7270/Q2QV3K1C
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50069021
PNG
(1-(4-Fluoro-phenyl)-2,2a,3,4,5,6-hexahydro-1H-azep...)
Show SMILES Fc1ccc(cc1)N1CC2CNCCc3cccc1c23
Show InChI InChI=1S/C17H17FN2/c18-14-4-6-15(7-5-14)20-11-13-10-19-9-8-12-2-1-3-16(20)17(12)13/h1-7,13,19H,8-11H2
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1.30n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Affinity for 5-hydroxytryptamine 2 receptor


Bioorg Med Chem Lett 8: 983-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00138-3
BindingDB Entry DOI: 10.7270/Q2Q81C7Z
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50001858
PNG
(1-{5-[4-(2-Isopropyl-phenyl)-piperazin-1-ylmethyl]...)
Show SMILES CC(C)c1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)n2C)CC1
Show InChI InChI=1S/C25H36N4O/c1-20(2)23-8-4-5-9-24(23)28-16-14-27(15-17-28)18-21-11-12-22(26(21)3)19-29-13-7-6-10-25(29)30/h4-5,8-9,11-12,20H,6-7,10,13-19H2,1-3H3
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1.40n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine receptor D2 by displacing [3H]spiperone radioligand in rat striatum


J Med Chem 35: 552-8 (1992)


Article DOI: 10.1021/jm00081a018
BindingDB Entry DOI: 10.7270/Q2PR7WMW
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50001861
PNG
(1-{5-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl...)
Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)[nH]2)CC1
Show InChI InChI=1S/C24H34N4O2/c1-19(2)30-23-8-4-3-7-22(23)27-15-13-26(14-16-27)17-20-10-11-21(25-20)18-28-12-6-5-9-24(28)29/h3-4,7-8,10-11,19,25H,5-6,9,12-18H2,1-2H3
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1.60n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine receptor D2 by displacing [3H]spiperone radioligand in rat striatum


J Med Chem 35: 552-8 (1992)


Article DOI: 10.1021/jm00081a018
BindingDB Entry DOI: 10.7270/Q2PR7WMW
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50001855
PNG
(1-{5-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl...)
Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCCCC3=O)n2C)CC1
Show InChI InChI=1S/C27H40N4O2/c1-22(2)33-26-11-8-7-10-25(26)30-18-16-29(17-19-30)20-23-13-14-24(28(23)3)21-31-15-9-5-4-6-12-27(31)32/h7-8,10-11,13-14,22H,4-6,9,12,15-21H2,1-3H3
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1.70n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor by displacing [3H]WB-4101 from rat hippocampus


J Med Chem 35: 552-8 (1992)


Article DOI: 10.1021/jm00081a018
BindingDB Entry DOI: 10.7270/Q2PR7WMW
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12
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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1.80n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity determined in radioreceptor binding assay by using [3H]ketanserin radioligand against 5-hydroxytryptamine 2 receptor


J Med Chem 35: 552-8 (1992)


Article DOI: 10.1021/jm00081a018
BindingDB Entry DOI: 10.7270/Q2PR7WMW
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50001889
PNG
(1-{5-[4-(2-sec-Butoxy-phenyl)-piperazin-1-ylmethyl...)
Show SMILES CCC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)n2C)CC1
Show InChI InChI=1S/C26H38N4O2/c1-4-21(2)32-25-10-6-5-9-24(25)29-17-15-28(16-18-29)19-22-12-13-23(27(22)3)20-30-14-8-7-11-26(30)31/h5-6,9-10,12-13,21H,4,7-8,11,14-20H2,1-3H3
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1.80n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor by displacing [3H]WB-4101 from rat hippocampus


J Med Chem 35: 552-8 (1992)


Article DOI: 10.1021/jm00081a018
BindingDB Entry DOI: 10.7270/Q2PR7WMW
More data for this
Ligand-Target Pair
Cholecystokinin B


(GUINEA PIG)
BDBM82403
PNG
(CAS_108186 | CI-988 | NSC_108186)
Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCC(NC(=O)CCC(O)=O)c1ccccc1
Show InChI InChI=1S/C35H42N4O6/c1-35(18-26-19-36-28-10-6-5-9-27(26)28,39-34(44)45-32-24-14-21-13-22(16-24)17-25(32)15-21)33(43)37-20-29(23-7-3-2-4-8-23)38-30(40)11-12-31(41)42/h2-10,19,21-22,24-25,29,32,36H,11-18,20H2,1H3,(H,37,43)(H,38,40)(H,39,44)(H,41,42)
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2n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer Central Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 273: 1015-22 (1995)


BindingDB Entry DOI: 10.7270/Q2QV3K1C
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50001885
PNG
((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...)
Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
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2.10n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Affinity for Dopamine receptor D2


Bioorg Med Chem Lett 8: 983-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00138-3
BindingDB Entry DOI: 10.7270/Q2Q81C7Z
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM79181
PNG
(10-[3-(4-methyl-1-piperazinyl)propyl]-2-(trifluoro...)
Show SMILES CN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1
Show InChI InChI=1S/C21H24F3N3S/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24/h2-3,5-8,15H,4,9-14H2,1H3
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2.20n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine receptor D2 by displacing [3H]spiperone radioligand in rat striatum


J Med Chem 35: 552-8 (1992)


Article DOI: 10.1021/jm00081a018
BindingDB Entry DOI: 10.7270/Q2PR7WMW
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50001879
PNG
(1-{5-[4-(2-Isopropyl-phenyl)-piperazin-1-ylmethyl]...)
Show SMILES CC(C)c1ccccc1N1CCN(Cc2ccc(CN3CCCCCC3=O)n2C)CC1
Show InChI InChI=1S/C26H38N4O/c1-21(2)24-9-6-7-10-25(24)29-17-15-28(16-18-29)19-22-12-13-23(27(22)3)20-30-14-8-4-5-11-26(30)31/h6-7,9-10,12-13,21H,4-5,8,11,14-20H2,1-3H3
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2.30n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine receptor D2 by displacing [3H]spiperone radioligand in rat striatum


J Med Chem 35: 552-8 (1992)


Article DOI: 10.1021/jm00081a018
BindingDB Entry DOI: 10.7270/Q2PR7WMW
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))
BDBM50007406
PNG
(1-(3-(trifluoromethyl)phenyl)piperazine | 1-(3-Tri...)
Show SMILES FC(F)(F)c1cccc(c1)N1CCNCC1
Show InChI InChI=1S/C11H13F3N2/c12-11(13,14)9-2-1-3-10(8-9)16-6-4-15-5-7-16/h1-3,8,15H,4-7H2
PDB

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2.30n/an/an/an/an/an/an/an/a



McNeil Pharmaceutical and Janssen Research Foundation Worldwide

Curated by ChEMBL


Assay Description
Binding affinity of the compound in radioreceptor binding assay by using [3H]-5-HT radioligand against 5-hydroxytryptamine 1B receptor


J Med Chem 32: 1052-6 (1989)


Article DOI: 10.1021/jm00125a020
BindingDB Entry DOI: 10.7270/Q2HD7TNH
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50069016
PNG
(1-(4-Fluoro-phenyl)-4-methyl-2,2a,3,4,5,6-hexahydr...)
Show SMILES CN1CCc2cccc3N(CC(C1)c23)c1ccc(F)cc1
Show InChI InChI=1S/C18H19FN2/c1-20-10-9-13-3-2-4-17-18(13)14(11-20)12-21(17)16-7-5-15(19)6-8-16/h2-8,14H,9-12H2,1H3
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2.80n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Affinity for Dopamine receptor D1


Bioorg Med Chem Lett 8: 983-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00138-3
BindingDB Entry DOI: 10.7270/Q2Q81C7Z
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50001885
PNG
((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...)
Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
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2.80n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
The binding affinity was measured on dopamine receptor D2 in rat brain tissue


J Med Chem 35: 552-8 (1992)


Article DOI: 10.1021/jm00081a018
BindingDB Entry DOI: 10.7270/Q2PR7WMW
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50001885
PNG
((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...)
Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
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3n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
The binding affinity was measured on adrenergic alpha-1 receptor in rat brain tissue


J Med Chem 35: 552-8 (1992)


Article DOI: 10.1021/jm00081a018
BindingDB Entry DOI: 10.7270/Q2PR7WMW
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50001885
PNG
((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...)
Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
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3n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Affinity for alpha-1 adrenergic receptor


Bioorg Med Chem Lett 8: 983-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00138-3
BindingDB Entry DOI: 10.7270/Q2Q81C7Z
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50069013
PNG
(CHEMBL171903 | [1-(4-Fluoro-phenyl)-4-methyl-2,3-d...)
Show SMILES CN(C)CC1CN(c2cccc(C)c12)c1ccc(F)cc1
Show InChI InChI=1S/C18H21FN2/c1-13-5-4-6-17-18(13)14(11-20(2)3)12-21(17)16-9-7-15(19)8-10-16/h4-10,14H,11-12H2,1-3H3
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3n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Affinity for Dopamine receptor D2


Bioorg Med Chem Lett 8: 983-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00138-3
BindingDB Entry DOI: 10.7270/Q2Q81C7Z
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50001775
PNG
((ritanserin)6-(2-{4-[Bis-(4-fluoro-phenyl)-methyle...)
Show SMILES Cc1nc2sccn2c(=O)c1CCN1CCC(CC1)=C(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3
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3n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
The compound was tested for its binding affinity towards Dopamine receptor D2 by displacing [3H]5-HT radioligand in rat cerebral cortex


J Med Chem 35: 552-8 (1992)


Article DOI: 10.1021/jm00081a018
BindingDB Entry DOI: 10.7270/Q2PR7WMW
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50001863
PNG
(1-{5-[4-(2-Butoxy-phenyl)-piperazin-1-ylmethyl]-1-...)
Show SMILES CCCCOc1ccccc1N1CCN(Cc2ccc(CN3CCCCCC3=O)n2C)CC1
Show InChI InChI=1S/C27H40N4O2/c1-3-4-20-33-26-11-8-7-10-25(26)30-18-16-29(17-19-30)21-23-13-14-24(28(23)2)22-31-15-9-5-6-12-27(31)32/h7-8,10-11,13-14H,3-6,9,12,15-22H2,1-2H3
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3.10n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine receptor D2 by displacing [3H]spiperone radioligand in rat striatum


J Med Chem 35: 552-8 (1992)


Article DOI: 10.1021/jm00081a018
BindingDB Entry DOI: 10.7270/Q2PR7WMW
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50001871
PNG
(1-{5-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl...)
Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCC3=O)n2C)CC1
Show InChI InChI=1S/C24H34N4O2/c1-19(2)30-23-8-5-4-7-22(23)27-15-13-26(14-16-27)17-20-10-11-21(25(20)3)18-28-12-6-9-24(28)29/h4-5,7-8,10-11,19H,6,9,12-18H2,1-3H3
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3.30n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine receptor D2 by displacing [3H]spiperone radioligand in rat striatum


J Med Chem 35: 552-8 (1992)


Article DOI: 10.1021/jm00081a018
BindingDB Entry DOI: 10.7270/Q2PR7WMW
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50001856
PNG
(1-{5-[4-(2-Isopropyl-phenyl)-piperazin-1-ylmethyl]...)
Show SMILES CC(C)c1ccccc1N1CCN(Cc2ccc(CN3CCCCCCC3=O)n2C)CC1
Show InChI InChI=1S/C27H40N4O/c1-22(2)25-10-7-8-11-26(25)30-18-16-29(17-19-30)20-23-13-14-24(28(23)3)21-31-15-9-5-4-6-12-27(31)32/h7-8,10-11,13-14,22H,4-6,9,12,15-21H2,1-3H3
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3.30n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine receptor D2 by displacing [3H]spiperone radioligand in rat striatum


J Med Chem 35: 552-8 (1992)


Article DOI: 10.1021/jm00081a018
BindingDB Entry DOI: 10.7270/Q2PR7WMW
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50001869
PNG
(1-{5-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl...)
Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)n2C)CC1
Show InChI InChI=1S/C25H36N4O2/c1-20(2)31-24-9-5-4-8-23(24)28-16-14-27(15-17-28)18-21-11-12-22(26(21)3)19-29-13-7-6-10-25(29)30/h4-5,8-9,11-12,20H,6-7,10,13-19H2,1-3H3
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3.30n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor by displacing [3H]WB-4101 from rat hippocampus


J Med Chem 35: 552-8 (1992)


Article DOI: 10.1021/jm00081a018
BindingDB Entry DOI: 10.7270/Q2PR7WMW
More data for this
Ligand-Target Pair
Cholecystokinin B


(GUINEA PIG)
BDBM82241
PNG
(CAS_5534-95-2 | NSC_444007 | Pentagastrin)
Show SMILES CSCCC(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OCC(C)C)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C37H49N7O9S/c1-22(2)21-53-37(52)39-15-13-31(45)41-29(18-24-20-40-26-12-8-7-11-25(24)26)35(50)42-27(14-16-54-3)34(49)44-30(19-32(46)47)36(51)43-28(33(38)48)17-23-9-5-4-6-10-23/h4-12,20,22,27-30,40H,13-19,21H2,1-3H3,(H2,38,48)(H,39,52)(H,41,45)(H,42,50)(H,43,51)(H,44,49)(H,46,47)
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3.30n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer Central Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 273: 1015-22 (1995)


BindingDB Entry DOI: 10.7270/Q2QV3K1C
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50069017
PNG
(1-(4-Fluoro-phenyl)-8,9-dimethoxy-4-methyl-3,4,5,6...)
Show SMILES COc1cc2CCN(C)Cc3cn(-c4ccc(F)cc4)c(c1OC)c23
Show InChI InChI=1S/C20H21FN2O2/c1-22-9-8-13-10-17(24-2)20(25-3)19-18(13)14(11-22)12-23(19)16-6-4-15(21)5-7-16/h4-7,10,12H,8-9,11H2,1-3H3
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3.60n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Affinity for 5-hydroxytryptamine 2 receptor


Bioorg Med Chem Lett 8: 983-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00138-3
BindingDB Entry DOI: 10.7270/Q2Q81C7Z
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))
BDBM50017450
PNG
(1-(2-Isopropyl-phenyl)-piperazine | CHEMBL276156)
Show SMILES CC(C)c1ccccc1N1CCNCC1
Show InChI InChI=1S/C13H20N2/c1-11(2)12-5-3-4-6-13(12)15-9-7-14-8-10-15/h3-6,11,14H,7-10H2,1-2H3
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4n/an/an/an/an/an/an/an/a



McNeil Pharmaceutical and Janssen Research Foundation Worldwide

Curated by ChEMBL


Assay Description
Binding affinity at rat 5-hydroxytryptamine 1B receptor by [3H]-5-HT displacement.


J Med Chem 32: 1052-6 (1989)


Article DOI: 10.1021/jm00125a020
BindingDB Entry DOI: 10.7270/Q2HD7TNH
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))
BDBM50017460
PNG
(1-(2-Butoxy-phenyl)-piperazine | CHEMBL9452)
Show SMILES CCCCOc1ccccc1N1CCNCC1
Show InChI InChI=1S/C14H22N2O/c1-2-3-12-17-14-7-5-4-6-13(14)16-10-8-15-9-11-16/h4-7,15H,2-3,8-12H2,1H3
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4n/an/an/an/an/an/an/an/a



McNeil Pharmaceutical and Janssen Research Foundation Worldwide

Curated by ChEMBL


Assay Description
Binding affinity at rat 5-hydroxytryptamine 1B receptor by [3H]-5-HT displacement.


J Med Chem 32: 1052-6 (1989)


Article DOI: 10.1021/jm00125a020
BindingDB Entry DOI: 10.7270/Q2HD7TNH
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))
BDBM50001915
PNG
(1-(3-chlorophenyl)piperazine | CHEMBL478 | m-Chlor...)
Show SMILES Clc1cccc(c1)N1CCNCC1
Show InChI InChI=1S/C10H13ClN2/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2
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4.40n/an/an/an/an/an/an/an/a



McNeil Pharmaceutical and Janssen Research Foundation Worldwide

Curated by ChEMBL


Assay Description
Binding affinity at rat 5-hydroxytryptamine 1B receptor by [3H]-5-HT displacement.


J Med Chem 32: 1052-6 (1989)


Article DOI: 10.1021/jm00125a020
BindingDB Entry DOI: 10.7270/Q2HD7TNH
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50001866
PNG
(1-{5-[4-(2-Isopropyl-phenyl)-piperazin-1-ylmethyl]...)
Show SMILES CC(C)c1ccccc1N1CCN(Cc2ccc(CN3CCCC3=O)n2C)CC1
Show InChI InChI=1S/C24H34N4O/c1-19(2)22-7-4-5-8-23(22)27-15-13-26(14-16-27)17-20-10-11-21(25(20)3)18-28-12-6-9-24(28)29/h4-5,7-8,10-11,19H,6,9,12-18H2,1-3H3
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4.60n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine receptor D2 by displacing [3H]spiperone radioligand in rat striatum


J Med Chem 35: 552-8 (1992)


Article DOI: 10.1021/jm00081a018
BindingDB Entry DOI: 10.7270/Q2PR7WMW
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50069016
PNG
(1-(4-Fluoro-phenyl)-4-methyl-2,2a,3,4,5,6-hexahydr...)
Show SMILES CN1CCc2cccc3N(CC(C1)c23)c1ccc(F)cc1
Show InChI InChI=1S/C18H19FN2/c1-20-10-9-13-3-2-4-17-18(13)14(11-20)12-21(17)16-7-5-15(19)6-8-16/h2-8,14H,9-12H2,1H3
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4.70n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor was evaluated


Bioorg Med Chem Lett 8: 983-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00138-3
BindingDB Entry DOI: 10.7270/Q2Q81C7Z
More data for this
Ligand-Target Pair
Cholecystokinin B


(GUINEA PIG)
BDBM50061220
PNG
(1-((S)-1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benz...)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)Nc2cccc(C)c2)C1=O)c1ccccc1
Show InChI InChI=1S/C24H22N4O2/c1-16-9-8-12-18(15-16)25-24(30)27-22-23(29)28(2)20-14-7-6-13-19(20)21(26-22)17-10-4-3-5-11-17/h3-15,22H,1-2H3,(H2,25,27,30)/t22-/m1/s1
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4.80n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer Central Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 273: 1015-22 (1995)


BindingDB Entry DOI: 10.7270/Q2QV3K1C
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50001859
PNG
((buspirone) 8-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)...)
Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2
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5n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor by displacing [3H]WB-4101 from rat hippocampus


J Med Chem 35: 552-8 (1992)


Article DOI: 10.1021/jm00081a018
BindingDB Entry DOI: 10.7270/Q2PR7WMW
More data for this
Ligand-Target Pair
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