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Compile Data Set for Download or QSAR

Found 157 hits with Last Name = 'pierson' and Initial = 'me'   
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
Cholecystokinin receptor


(RAT)
BDBM50089269
PNG
(CHEMBL276192 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-{2...)
Show SMILES CCCCC(NC(=O)Cc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCCCNC(=O)NC(=O)c1ccccc1C)C(=O)NC(CC(O)=O)C(=O)N(C)C(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C56H68N10O15S/c1-4-5-20-42(61-47(67)29-36-23-25-38(26-24-36)81-82(78,79)80)52(73)60-33-48(68)62-44(30-37-32-59-41-21-12-11-19-40(37)41)54(75)63-43(22-13-14-27-58-56(77)65-51(72)39-18-10-9-15-34(39)2)53(74)64-45(31-49(69)70)55(76)66(3)46(50(57)71)28-35-16-7-6-8-17-35/h6-12,15-19,21,23-26,32,42-46,59H,4-5,13-14,20,22,27-31,33H2,1-3H3,(H2,57,71)(H,60,73)(H,61,67)(H,62,68)(H,63,75)(H,64,74)(H,69,70)(H,78,79,80)(H2,58,65,72,77)
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0.0200n/an/an/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of [125I]BH-CCK-8 binding to Cholecystokinin type A receptor of rat pancreatic tissue


J Med Chem 43: 2350-5 (2000)


BindingDB Entry DOI: 10.7270/Q2FX7B4J
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50061828
PNG
(CHEMBL76248 | CID44356929 | N-(1-Carbamoyl-2-pheny...)
Show SMILES CCCC[C@H](NC(=O)Cc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N(C)[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C47H60N8O13S/c1-4-6-16-35(51-40(56)24-30-19-21-32(22-20-30)68-69(65,66)67)44(61)50-28-41(57)52-38(25-31-27-49-34-18-12-11-15-33(31)34)45(62)53-36(17-7-5-2)47(64)55(3)39(26-42(58)59)46(63)54-37(43(48)60)23-29-13-9-8-10-14-29/h8-15,18-22,27,35-39,49H,4-7,16-17,23-26,28H2,1-3H3,(H2,48,60)(H,50,61)(H,51,56)(H,52,57)(H,53,62)(H,54,63)(H,58,59)(H,65,66,67)/t35-,36-,37-,38-,39-/m0/s1
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0.0300n/an/an/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of [125I]BH-CCK-8 binding to Cholecystokinin type A receptor of rat pancreatic tissue


J Med Chem 43: 2350-5 (2000)


BindingDB Entry DOI: 10.7270/Q2FX7B4J
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50061828
PNG
(CHEMBL76248 | CID44356929 | N-(1-Carbamoyl-2-pheny...)
Show SMILES CCCC[C@H](NC(=O)Cc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N(C)[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C47H60N8O13S/c1-4-6-16-35(51-40(56)24-30-19-21-32(22-20-30)68-69(65,66)67)44(61)50-28-41(57)52-38(25-31-27-49-34-18-12-11-15-33(31)34)45(62)53-36(17-7-5-2)47(64)55(3)39(26-42(58)59)46(63)54-37(43(48)60)23-29-13-9-8-10-14-29/h8-15,18-22,27,35-39,49H,4-7,16-17,23-26,28H2,1-3H3,(H2,48,60)(H,50,61)(H,51,56)(H,52,57)(H,53,62)(H,54,63)(H,58,59)(H,65,66,67)/t35-,36-,37-,38-,39-/m0/s1
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0.0300n/an/an/an/an/an/an/an/a



Rochester

Curated by ChEMBL


Assay Description
Binding affinity for Cholecystokinin type A receptor using [125I]BH-CCK-8 in rat pancreatic tissue


J Med Chem 40: 4302-7 (1998)


Article DOI: 10.1021/jm970477u
BindingDB Entry DOI: 10.7270/Q2B858TF
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50061829
PNG
((R)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-({(S)-2-[...)
Show SMILES CCCC[C@H](NC(=O)Cc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N(C)[C@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C47H60N8O13S/c1-4-6-16-35(51-40(56)24-30-19-21-32(22-20-30)68-69(65,66)67)44(61)50-28-41(57)52-38(25-31-27-49-34-18-12-11-15-33(31)34)45(62)53-36(17-7-5-2)47(64)55(3)39(26-42(58)59)46(63)54-37(43(48)60)23-29-13-9-8-10-14-29/h8-15,18-22,27,35-39,49H,4-7,16-17,23-26,28H2,1-3H3,(H2,48,60)(H,50,61)(H,51,56)(H,52,57)(H,53,62)(H,54,63)(H,58,59)(H,65,66,67)/t35-,36-,37-,38-,39+/m0/s1
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0.0300n/an/an/an/an/an/an/an/a



Rochester

Curated by ChEMBL


Assay Description
Binding affinity for Cholecystokinin type A receptor using [125I]BH-CCK-8 in rat pancreatic tissue


J Med Chem 40: 4302-7 (1998)


Article DOI: 10.1021/jm970477u
BindingDB Entry DOI: 10.7270/Q2B858TF
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50089268
PNG
(CHEMBL267861 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-{2...)
Show SMILES CCCCC(NC(=O)Cc1ccc(O)cc1)C(=O)NCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCCCNC(=O)NC(=O)c1ccccc1C)C(=O)NC(CC(O)=O)C(=O)N(C)C(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C56H68N10O12/c1-4-5-20-42(61-47(68)29-36-23-25-38(67)26-24-36)52(74)60-33-48(69)62-44(30-37-32-59-41-21-12-11-19-40(37)41)54(76)63-43(22-13-14-27-58-56(78)65-51(73)39-18-10-9-15-34(39)2)53(75)64-45(31-49(70)71)55(77)66(3)46(50(57)72)28-35-16-7-6-8-17-35/h6-12,15-19,21,23-26,32,42-46,59,67H,4-5,13-14,20,22,27-31,33H2,1-3H3,(H2,57,72)(H,60,74)(H,61,68)(H,62,69)(H,63,76)(H,64,75)(H,70,71)(H2,58,65,73,78)
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0.0500n/an/an/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of [125I]BH-CCK-8 binding to Cholecystokinin type A receptor of rat pancreatic tissue


J Med Chem 43: 2350-5 (2000)


BindingDB Entry DOI: 10.7270/Q2FX7B4J
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50061832
PNG
((S)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-{(S)-2-[(...)
Show SMILES CSCC[C@H](NC(=O)Cc1ccc(OS(O)(=O)=O)cc1)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)[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C45H56N8O13S3/c1-53(37(41(46)58)21-27-9-5-4-6-10-27)45(62)36(24-40(56)57)52-43(60)34(18-20-68-3)51-44(61)35(23-29-25-47-32-12-8-7-11-31(29)32)50-39(55)26-48-42(59)33(17-19-67-2)49-38(54)22-28-13-15-30(16-14-28)66-69(63,64)65/h4-16,25,33-37,47H,17-24,26H2,1-3H3,(H2,46,58)(H,48,59)(H,49,54)(H,50,55)(H,51,61)(H,52,60)(H,56,57)(H,63,64,65)/t33-,34-,35-,36-,37-/m0/s1
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0.0700n/an/an/an/an/an/an/an/a



Rochester

Curated by ChEMBL


Assay Description
Binding affinity for Cholecystokinin type A receptor using [125I]BH-CCK-8 in rat pancreatic tissue


J Med Chem 40: 4302-7 (1998)


Article DOI: 10.1021/jm970477u
BindingDB Entry DOI: 10.7270/Q2B858TF
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
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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0.0900n/an/an/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of [125I]BH-CCK-8 binding to Cholecystokinin type A receptor of rat pancreatic tissue


J Med Chem 43: 2350-5 (2000)


BindingDB Entry DOI: 10.7270/Q2FX7B4J
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
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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0.0900n/an/an/an/an/an/an/an/a



Rochester

Curated by ChEMBL


Assay Description
Binding affinity for Cholecystokinin type A receptor using [125I]BH-CCK-8 in rat pancreatic tissue


J Med Chem 40: 4302-7 (1998)


Article DOI: 10.1021/jm970477u
BindingDB Entry DOI: 10.7270/Q2B858TF
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50061833
PNG
((R)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-{(S)-2-[(...)
Show SMILES CCCC[C@H](NC(=O)Cc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C47H60N8O13S/c1-4-6-16-35(51-40(56)24-30-19-21-32(22-20-30)68-69(65,66)67)44(61)50-28-41(57)52-37(25-31-27-49-34-18-12-11-15-33(31)34)46(63)53-36(17-7-5-2)45(62)54-38(26-42(58)59)47(64)55(3)39(43(48)60)23-29-13-9-8-10-14-29/h8-15,18-22,27,35-39,49H,4-7,16-17,23-26,28H2,1-3H3,(H2,48,60)(H,50,61)(H,51,56)(H,52,57)(H,53,63)(H,54,62)(H,58,59)(H,65,66,67)/t35-,36-,37-,38+,39-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Rochester

Curated by ChEMBL


Assay Description
Binding affinity for Cholecystokinin type A receptor using [125I]BH-CCK-8 in rat pancreatic tissue


J Med Chem 40: 4302-7 (1998)


Article DOI: 10.1021/jm970477u
BindingDB Entry DOI: 10.7270/Q2B858TF
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50369326
PNG
(CHEMBL1791002)
Show SMILES CC[C@H](C)[C@H](NC(=O)Cc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N(C)[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C47H60N8O13S/c1-6-27(3)41(53-38(56)22-30-17-19-32(20-18-30)68-69(65,66)67)46(63)50-26-39(57)51-36(23-31-25-49-34-16-12-11-15-33(31)34)44(61)54-42(28(4)7-2)47(64)55(5)37(24-40(58)59)45(62)52-35(43(48)60)21-29-13-9-8-10-14-29/h8-20,25,27-28,35-37,41-42,49H,6-7,21-24,26H2,1-5H3,(H2,48,60)(H,50,63)(H,51,57)(H,52,62)(H,53,56)(H,54,61)(H,58,59)(H,65,66,67)/t27-,28-,35-,36-,37-,41-,42-/m0/s1
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0.240n/an/an/an/an/an/an/an/a



Rochester

Curated by ChEMBL


Assay Description
Binding affinity for Cholecystokinin type A receptor using [125I]BH-CCK-8 in rat pancreatic tissue


J Med Chem 40: 4302-7 (1998)


Article DOI: 10.1021/jm970477u
BindingDB Entry DOI: 10.7270/Q2B858TF
More data for this
Ligand-Target Pair
CCKBR


(RAT)
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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0.410n/an/an/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Binding affinity towards Cholecystokinin type B receptor in rat cortex synaptosomes using [125I]BH-CCK-8 as radioligand


J Med Chem 43: 2350-5 (2000)


BindingDB Entry DOI: 10.7270/Q2FX7B4J
More data for this
Ligand-Target Pair
CCKBR


(RAT)
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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0.410n/an/an/an/an/an/an/an/a



Rochester

Curated by ChEMBL


Assay Description
Binding affinity for Cholecystokinin type B receptor using [125I]-BH-CCK-8 in rat cortex synaptosomes


J Med Chem 40: 4302-7 (1998)


Article DOI: 10.1021/jm970477u
BindingDB Entry DOI: 10.7270/Q2B858TF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50306587
PNG
(6-Fluoro-N-(6-(4-methoxytetrahydro-2H-pyran-4-yl)p...)
Show SMILES COC1(CCOCC1)c1ccc(NC(=O)c2cc(=O)c3cc(F)cc(-c4c(C)nn(C)c4C)c3o2)cn1 |(27.97,-16.65,;26.65,-17.44,;26.66,-18.99,;26.66,-20.53,;27.99,-21.29,;29.33,-20.52,;29.33,-18.98,;27.99,-18.21,;25.33,-18.23,;24,-19,;22.66,-18.23,;22.67,-16.69,;21.33,-15.93,;20,-16.7,;20,-18.24,;18.66,-15.93,;18.66,-14.39,;17.31,-13.61,;17.31,-12.07,;15.98,-14.4,;14.65,-13.63,;13.32,-14.4,;11.99,-13.63,;13.32,-15.95,;14.65,-16.72,;14.65,-18.27,;15.9,-19.17,;17.36,-18.7,;15.42,-20.64,;13.88,-20.64,;12.98,-21.89,;13.41,-19.17,;11.94,-18.7,;15.99,-15.94,;17.33,-16.71,;23.99,-15.92,;25.32,-16.68,)|
Show InChI InChI=1S/C27H27FN4O5/c1-15-24(16(2)32(3)31-15)20-12-17(28)11-19-21(33)13-22(37-25(19)20)26(34)30-18-5-6-23(29-14-18)27(35-4)7-9-36-10-8-27/h5-6,11-14H,7-10H2,1-4H3,(H,30,34)
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0.430n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1B receptor expressed in CHO cells


J Med Chem 53: 1876-80 (2010)


Article DOI: 10.1021/jm901200t
BindingDB Entry DOI: 10.7270/Q25D8RZ0
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50040237
PNG
(2-Chloro-11-(4-methyl-piperazin-1-yl)-dibenzo[b,f]...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Sc2ccc(Cl)cc12 |t:8|
Show InChI InChI=1S/C18H18ClN3S/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18/h2-7,12H,8-11H2,1H3
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0.490n/an/an/an/an/an/an/an/a



Astrazeneca AB

US Patent


Assay Description
The ability of test compounds to displace 3H-raclopride at the D2s receptor can be determined on membranes from D2s-transfected CHO cells (Bmax 13 pm...


US Patent US8653257 (2014)


BindingDB Entry DOI: 10.7270/Q2DR2T69
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50369325
PNG
(CHEMBL1791005)
Show SMILES CCCC[C@H](NC(=O)Cc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N(C)[C@@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C48H62N8O13S/c1-6-8-17-36(52-40(57)24-31-19-21-33(22-20-31)69-70(66,67)68)45(62)51-28-41(58)53-37(25-32-27-50-35-18-13-12-16-34(32)35)46(63)54-43(29(3)7-2)48(65)56(5)39(26-42(59)60)47(64)55(4)38(44(49)61)23-30-14-10-9-11-15-30/h9-16,18-22,27,29,36-39,43,50H,6-8,17,23-26,28H2,1-5H3,(H2,49,61)(H,51,62)(H,52,57)(H,53,58)(H,54,63)(H,59,60)(H,66,67,68)/t29-,36-,37-,38-,39-,43-/m0/s1
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0.530n/an/an/an/an/an/an/an/a



Rochester

Curated by ChEMBL


Assay Description
Binding affinity for Cholecystokinin type A receptor using [125I]BH-CCK-8 in rat pancreatic tissue


J Med Chem 40: 4302-7 (1998)


Article DOI: 10.1021/jm970477u
BindingDB Entry DOI: 10.7270/Q2B858TF
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM82517
PNG
(2-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-...)
Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1
Show InChI InChI=1S/C23H27N3O3/c1-29-21-11-5-4-10-20(21)25-16-14-24(15-17-25)12-6-7-13-26-22(27)18-8-2-3-9-19(18)23(26)28/h2-5,8-11H,6-7,12-17H2,1H3
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0.600n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity of compound towards 5-hydroxytryptamine 1A receptor in rat striatal membranes by [3H]-OH-DPAT displacement.


J Med Chem 32: 1921-6 (1989)


BindingDB Entry DOI: 10.7270/Q2J67FWB
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM141314
PNG
(US8653257, 2-Chloro-11-piperazin-1-yl-dibenzo[b,f]...)
Show SMILES Clc1ccc2Sc3ccccc3N=C(N3CCNCC3)c2c1 |t:13|
Show InChI InChI=1S/C17H16ClN3S/c18-12-5-6-15-13(11-12)17(21-9-7-19-8-10-21)20-14-3-1-2-4-16(14)22-15/h1-6,11,19H,7-10H2
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0.700n/an/an/an/an/an/an/an/a



Astrazeneca AB

US Patent


Assay Description
The ability of test compounds to displace 3H-raclopride at the D2s receptor can be determined on membranes from D2s-transfected CHO cells (Bmax 13 pm...


US Patent US8653257 (2014)


BindingDB Entry DOI: 10.7270/Q2DR2T69
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50306591
PNG
(6-Fluoro-N-(6-(4-methoxytetrahydro-2H-pyran-4-yl)p...)
Show SMILES COC1(CCOCC1)c1ccc(NC(=O)C2CCc3cc(F)cc(-c4c(C)nn(C)c4C)c3O2)cn1 |(8.7,-32.23,;7.37,-33.01,;7.39,-34.56,;7.39,-36.1,;8.72,-36.86,;10.06,-36.09,;10.05,-34.55,;8.71,-33.78,;6.06,-33.8,;4.72,-34.57,;3.39,-33.8,;3.39,-32.26,;2.06,-31.5,;.73,-32.27,;.73,-33.81,;-.61,-31.5,;-.62,-29.96,;-1.96,-29.19,;-3.29,-29.97,;-4.62,-29.2,;-5.95,-29.98,;-7.29,-29.21,;-5.95,-31.52,;-4.62,-32.29,;-4.62,-33.84,;-3.38,-34.74,;-1.91,-34.27,;-3.85,-36.21,;-5.39,-36.21,;-6.3,-37.46,;-5.87,-34.75,;-7.33,-34.27,;-3.28,-31.52,;-1.94,-32.28,;4.71,-31.49,;6.05,-32.25,)|
Show InChI InChI=1S/C27H31FN4O4/c1-16-24(17(2)32(3)31-16)21-14-19(28)13-18-5-7-22(36-25(18)21)26(33)30-20-6-8-23(29-15-20)27(34-4)9-11-35-12-10-27/h6,8,13-15,22H,5,7,9-12H2,1-4H3,(H,30,33)
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0.960n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1B receptor expressed in CHO cells


J Med Chem 53: 1876-80 (2010)


Article DOI: 10.1021/jm901200t
BindingDB Entry DOI: 10.7270/Q25D8RZ0
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50089276
PNG
(CHEMBL430608 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-{2...)
Show SMILES CSCCC(NC(=O)Cc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCSC)C(=O)NC(CC(O)=O)C(=O)N(C)C(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C45H56N8O13S3/c1-53(37(41(46)58)21-27-9-5-4-6-10-27)45(62)36(24-40(56)57)52-43(60)34(18-20-68-3)51-44(61)35(23-29-25-47-32-12-8-7-11-31(29)32)50-39(55)26-48-42(59)33(17-19-67-2)49-38(54)22-28-13-15-30(16-14-28)66-69(63,64)65/h4-16,25,33-37,47H,17-24,26H2,1-3H3,(H2,46,58)(H,48,59)(H,49,54)(H,50,55)(H,51,61)(H,52,60)(H,56,57)(H,63,64,65)
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0.980n/an/an/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of [125I]BH-CCK-8 binding to Cholecystokinin type A receptor of rat pancreatic tissue


J Med Chem 43: 2350-5 (2000)


BindingDB Entry DOI: 10.7270/Q2FX7B4J
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50061834
PNG
((R)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-{(S)-2-[(...)
Show SMILES CSCC[C@H](NC(=O)Cc1ccc(OS(O)(=O)=O)cc1)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)[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C45H56N8O13S3/c1-53(37(41(46)58)21-27-9-5-4-6-10-27)45(62)36(24-40(56)57)52-43(60)34(18-20-68-3)51-44(61)35(23-29-25-47-32-12-8-7-11-31(29)32)50-39(55)26-48-42(59)33(17-19-67-2)49-38(54)22-28-13-15-30(16-14-28)66-69(63,64)65/h4-16,25,33-37,47H,17-24,26H2,1-3H3,(H2,46,58)(H,48,59)(H,49,54)(H,50,55)(H,51,61)(H,52,60)(H,56,57)(H,63,64,65)/t33-,34-,35-,36+,37-/m0/s1
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0.980n/an/an/an/an/an/an/an/a



Rochester

Curated by ChEMBL


Assay Description
Binding affinity for Cholecystokinin type A receptor using [125I]BH-CCK-8 in rat pancreatic tissue


J Med Chem 40: 4302-7 (1998)


Article DOI: 10.1021/jm970477u
BindingDB Entry DOI: 10.7270/Q2B858TF
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM141315
PNG
(US8653257, 2-Fluoro-11-(4-methyl-piperazin-1-yl)-d...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Sc2ccc(F)cc12 |t:8|
Show InChI InChI=1S/C18H18FN3S/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18/h2-7,12H,8-11H2,1H3
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1.10n/an/an/an/an/an/an/an/a



Astrazeneca AB

US Patent


Assay Description
The ability of test compounds to displace 3H-raclopride at the D2s receptor can be determined on membranes from D2s-transfected CHO cells (Bmax 13 pm...


US Patent US8653257 (2014)


BindingDB Entry DOI: 10.7270/Q2DR2T69
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50061832
PNG
((S)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-{(S)-2-[(...)
Show SMILES CSCC[C@H](NC(=O)Cc1ccc(OS(O)(=O)=O)cc1)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)[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C45H56N8O13S3/c1-53(37(41(46)58)21-27-9-5-4-6-10-27)45(62)36(24-40(56)57)52-43(60)34(18-20-68-3)51-44(61)35(23-29-25-47-32-12-8-7-11-31(29)32)50-39(55)26-48-42(59)33(17-19-67-2)49-38(54)22-28-13-15-30(16-14-28)66-69(63,64)65/h4-16,25,33-37,47H,17-24,26H2,1-3H3,(H2,46,58)(H,48,59)(H,49,54)(H,50,55)(H,51,61)(H,52,60)(H,56,57)(H,63,64,65)/t33-,34-,35-,36-,37-/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Rochester

Curated by ChEMBL


Assay Description
Binding affinity for Cholecystokinin type B receptor using [125I]-BH-CCK-8 in rat cortex synaptosomes


J Med Chem 40: 4302-7 (1998)


Article DOI: 10.1021/jm970477u
BindingDB Entry DOI: 10.7270/Q2B858TF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50306588
PNG
(6-fluoro-8-(4-methylpiperazin-1-yl)-4-oxo-N-(4-(4-...)
Show SMILES CCC(=O)N1CCN(CC1)c1ccc(NC(=O)c2cc(=O)c3cc(F)cc(N4CCN(C)CC4)c3o2)cc1
Show InChI InChI=1S/C28H32FN5O4/c1-3-26(36)34-14-12-32(13-15-34)21-6-4-20(5-7-21)30-28(37)25-18-24(35)22-16-19(29)17-23(27(22)38-25)33-10-8-31(2)9-11-33/h4-7,16-18H,3,8-15H2,1-2H3,(H,30,37)
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1.70n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1B receptor expressed in CHO cells


J Med Chem 53: 1876-80 (2010)


Article DOI: 10.1021/jm901200t
BindingDB Entry DOI: 10.7270/Q25D8RZ0
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3
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2.40n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL




J Med Chem 32: 859-63 (1989)


BindingDB Entry DOI: 10.7270/Q2571CMK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM82087
PNG
(2-(5-methoxy-1H-indol-3-yl)ethanamine | 5-MT | 5-M...)
Show SMILES COc1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3
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3.20n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity of compound towards 5-hydroxytryptamine 1A receptor in rat striatal membranes by [3H]-OH-DPAT displacement.


J Med Chem 32: 1921-6 (1989)


BindingDB Entry DOI: 10.7270/Q2J67FWB
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50018459
PNG
(1-(7-Methoxy-naphthalen-1-yl)-piperazine | 4-(7-Me...)
Show SMILES COc1ccc2cccc(N3CCNCC3)c2c1
Show InChI InChI=1S/C15H18N2O/c1-18-13-6-5-12-3-2-4-15(14(12)11-13)17-9-7-16-8-10-17/h2-6,11,16H,7-10H2,1H3
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3.30n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity of compound towards 5-hydroxytryptamine 1A receptor in rat striatal membranes by [3H]-OH-DPAT displacement.


J Med Chem 32: 1921-6 (1989)


BindingDB Entry DOI: 10.7270/Q2J67FWB
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50089275
PNG
(CHEMBL384303 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-{2...)
Show SMILES CCCCC(NC(=O)Cc1ccc(O)cc1)C(=O)NCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCCCNC(=O)\C=C\c1ccc(O)cc1)C(=O)NC(CC(O)=O)C(=O)N(C)C(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C56H67N9O12/c1-3-4-15-43(61-49(69)30-37-20-25-40(67)26-21-37)53(74)60-34-50(70)62-45(31-38-33-59-42-16-9-8-14-41(38)42)55(76)63-44(17-10-11-28-58-48(68)27-22-35-18-23-39(66)24-19-35)54(75)64-46(32-51(71)72)56(77)65(2)47(52(57)73)29-36-12-6-5-7-13-36/h5-9,12-14,16,18-27,33,43-47,59,66-67H,3-4,10-11,15,17,28-32,34H2,1-2H3,(H2,57,73)(H,58,68)(H,60,74)(H,61,69)(H,62,70)(H,63,76)(H,64,75)(H,71,72)/b27-22+
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3.40n/an/an/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of [125I]BH-CCK-8 binding to Cholecystokinin type A receptor of rat pancreatic tissue


J Med Chem 43: 2350-5 (2000)


BindingDB Entry DOI: 10.7270/Q2FX7B4J
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50089277
PNG
(CHEMBL311187 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-({...)
Show SMILES CCCCC(NC(=O)Cc1ccc(O)cc1)C(=O)NCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCCC)C(=O)N(C)C(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C47H60N8O10/c1-4-6-16-35(51-40(57)24-30-19-21-32(56)22-20-30)44(62)50-28-41(58)52-38(25-31-27-49-34-18-12-11-15-33(31)34)45(63)53-36(17-7-5-2)47(65)55(3)39(26-42(59)60)46(64)54-37(43(48)61)23-29-13-9-8-10-14-29/h8-15,18-22,27,35-39,49,56H,4-7,16-17,23-26,28H2,1-3H3,(H2,48,61)(H,50,62)(H,51,57)(H,52,58)(H,53,63)(H,54,64)(H,59,60)
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4.20n/an/an/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of [125I]BH-CCK-8 binding to Cholecystokinin type A receptor of rat pancreatic tissue


J Med Chem 43: 2350-5 (2000)


BindingDB Entry DOI: 10.7270/Q2FX7B4J
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50018456
PNG
(2-{5-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-pentyl}...)
Show SMILES COc1ccccc1N1CCN(CCCCCN2C(=O)c3ccccc3C2=O)CC1
Show InChI InChI=1S/C24H29N3O3/c1-30-22-12-6-5-11-21(22)26-17-15-25(16-18-26)13-7-2-8-14-27-23(28)19-9-3-4-10-20(19)24(27)29/h3-6,9-12H,2,7-8,13-18H2,1H3
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5n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity of compound towards 5-HT 1A receptor by measuring ability to displace [3H]-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat stria...


J Med Chem 32: 1921-6 (1989)


BindingDB Entry DOI: 10.7270/Q2J67FWB
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50018452
PNG
(2-[5-(4-Phenyl-piperazin-1-yl)-pentyl]-isoindole-1...)
Show SMILES O=C1N(CCCCCN2CCN(CC2)c2ccccc2)C(=O)c2ccccc12
Show InChI InChI=1S/C23H27N3O2/c27-22-20-11-5-6-12-21(20)23(28)26(22)14-8-2-7-13-24-15-17-25(18-16-24)19-9-3-1-4-10-19/h1,3-6,9-12H,2,7-8,13-18H2
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8.5n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity of compound towards 5-hydroxytryptamine 1A receptor in rat striatal membranes by [3H]-OH-DPAT displacement.


J Med Chem 32: 1921-6 (1989)


BindingDB Entry DOI: 10.7270/Q2J67FWB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50306590
PNG
(5-Methyl-4-oxo-8-(1H-pyrazol-4-yl)-1,4-dihydroquin...)
Show SMILES Cc1n[nH]c(C)c1-c1ccc(C)c2c(O)cc(nc12)C(=O)Nc1ccc(cc1)N1CCOCC1 |(-3.14,-20.26,;-4.6,-20.73,;-5.08,-22.2,;-6.62,-22.2,;-7.1,-20.74,;-8.56,-20.26,;-5.85,-19.83,;-5.85,-18.28,;-7.18,-17.51,;-7.18,-15.97,;-5.85,-15.2,;-5.86,-13.66,;-4.52,-15.96,;-3.19,-15.18,;-3.2,-13.64,;-1.84,-15.95,;-1.84,-17.5,;-3.17,-18.27,;-4.51,-17.51,;-.5,-18.26,;-.5,-19.8,;.83,-17.49,;2.16,-18.25,;2.16,-19.8,;3.5,-20.56,;4.83,-19.79,;4.82,-18.24,;3.48,-17.48,;6.17,-20.55,;6.16,-22.09,;7.49,-22.85,;8.83,-22.08,;8.82,-20.54,;7.49,-19.77,)|
Show InChI InChI=1S/C26H27N5O3/c1-15-4-9-20(24-16(2)29-30-17(24)3)25-23(15)22(32)14-21(28-25)26(33)27-18-5-7-19(8-6-18)31-10-12-34-13-11-31/h4-9,14H,10-13H2,1-3H3,(H,27,33)(H,28,32)(H,29,30)
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9.30n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1B receptor expressed in CHO cells


J Med Chem 53: 1876-80 (2010)


Article DOI: 10.1021/jm901200t
BindingDB Entry DOI: 10.7270/Q25D8RZ0
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM30707
PNG
(2-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-ethanamin...)
Show SMILES COc1ccc2[nH]cc(CCN(C)C)c2c1
Show InChI InChI=1S/C13H18N2O/c1-15(2)7-6-10-9-14-13-5-4-11(16-3)8-12(10)13/h4-5,8-9,14H,6-7H2,1-3H3
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10n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity of compound towards 5-hydroxytryptamine 1A receptor in rat striatal membranes by [3H]-OH-DPAT displacement.


J Med Chem 32: 1921-6 (1989)


BindingDB Entry DOI: 10.7270/Q2J67FWB
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50018458
PNG
(2-[4-(4-Phenyl-piperazin-1-yl)-butyl]-isoindole-1,...)
Show SMILES O=C1N(CCCCN2CCN(CC2)c2ccccc2)C(=O)c2ccccc12
Show InChI InChI=1S/C22H25N3O2/c26-21-19-10-4-5-11-20(19)22(27)25(21)13-7-6-12-23-14-16-24(17-15-23)18-8-2-1-3-9-18/h1-5,8-11H,6-7,12-17H2
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10n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity of compound towards 5-hydroxytryptamine 1A receptor in rat striatal membranes by [3H]-OH-DPAT displacement.


J Med Chem 32: 1921-6 (1989)


BindingDB Entry DOI: 10.7270/Q2J67FWB
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50018449
PNG
(2-[2-(4-Phenyl-piperazin-1-yl)-ethyl]-isoindole-1,...)
Show SMILES O=C1N(CCN2CCN(CC2)c2ccccc2)C(=O)c2ccccc12
Show InChI InChI=1S/C20H21N3O2/c24-19-17-8-4-5-9-18(17)20(25)23(19)15-12-21-10-13-22(14-11-21)16-6-2-1-3-7-16/h1-9H,10-15H2
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11n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity of compound towards 5-hydroxytryptamine 1A receptor in rat striatal membranes by [3H]-OH-DPAT displacement.


J Med Chem 32: 1921-6 (1989)


BindingDB Entry DOI: 10.7270/Q2J67FWB
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM141312
PNG
(US8653257, 2-Fluoro-11-piperazin-1-yl-dibenzo[b,f]...)
Show SMILES Fc1ccc2Sc3ccccc3N=C(N3CCNCC3)c2c1 |t:13|
Show InChI InChI=1S/C17H16FN3S/c18-12-5-6-15-13(11-12)17(21-9-7-19-8-10-21)20-14-3-1-2-4-16(14)22-15/h1-6,11,19H,7-10H2
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11n/an/an/an/an/an/an/an/a



Astrazeneca AB

US Patent


Assay Description
The ability of test compounds to displace 3H-raclopride at the D2s receptor can be determined on membranes from D2s-transfected CHO cells (Bmax 13 pm...


US Patent US8653257 (2014)


BindingDB Entry DOI: 10.7270/Q2DR2T69
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50306589
PNG
((R)-6-methoxy-8-(4-methylpiperazin-1-yl)-N-(4-morp...)
Show SMILES COc1cc2CC[C@@H](Oc2c(c1)N1CCN(C)CC1)C(=O)Nc1ccc(cc1)N1CCOCC1 |r|
Show InChI InChI=1S/C26H34N4O4/c1-28-9-11-30(12-10-28)23-18-22(32-2)17-19-3-8-24(34-25(19)23)26(31)27-20-4-6-21(7-5-20)29-13-15-33-16-14-29/h4-7,17-18,24H,3,8-16H2,1-2H3,(H,27,31)/t24-/m1/s1
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12n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1B receptor expressed in CHO cells


J Med Chem 53: 1876-80 (2010)


Article DOI: 10.1021/jm901200t
BindingDB Entry DOI: 10.7270/Q25D8RZ0
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))
BDBM50246936
PNG
((-)-(S)-Propranolol | 1-(ISOPROPYLAMINO)-3-(1-NAPH...)
Show SMILES CC(C)NC[C@H](O)COc1cccc2ccccc12 |r|
Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3/t14-/m0/s1
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17n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 1B receptor of rat striatal membrane homogenate using [3H]5-HT as the radioligand.


J Med Chem 32: 859-63 (1989)


BindingDB Entry DOI: 10.7270/Q2571CMK
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50089272
PNG
(CHEMBL312359 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-{2...)
Show SMILES CSCCC(NC(=O)Cc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCSC)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C44H54N8O13S3/c1-66-18-16-32(48-37(53)21-27-12-14-29(15-13-27)65-68(62,63)64)41(58)47-25-38(54)49-35(22-28-24-46-31-11-7-6-10-30(28)31)43(60)50-33(17-19-67-2)42(59)52-36(23-39(55)56)44(61)51-34(40(45)57)20-26-8-4-3-5-9-26/h3-15,24,32-36,46H,16-23,25H2,1-2H3,(H2,45,57)(H,47,58)(H,48,53)(H,49,54)(H,50,60)(H,51,61)(H,52,59)(H,55,56)(H,62,63,64)
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19n/an/an/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of [125I]BH-CCK-8 binding to Cholecystokinin type A receptor of rat pancreatic tissue


J Med Chem 43: 2350-5 (2000)


BindingDB Entry DOI: 10.7270/Q2FX7B4J
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50061830
PNG
((R)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-{(S)-2-[(...)
Show SMILES CSCC[C@H](NC(=O)Cc1ccc(OS(O)(=O)=O)cc1)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/C44H54N8O13S3/c1-66-18-16-32(48-37(53)21-27-12-14-29(15-13-27)65-68(62,63)64)41(58)47-25-38(54)49-35(22-28-24-46-31-11-7-6-10-30(28)31)43(60)50-33(17-19-67-2)42(59)52-36(23-39(55)56)44(61)51-34(40(45)57)20-26-8-4-3-5-9-26/h3-15,24,32-36,46H,16-23,25H2,1-2H3,(H2,45,57)(H,47,58)(H,48,53)(H,49,54)(H,50,60)(H,51,61)(H,52,59)(H,55,56)(H,62,63,64)/t32-,33-,34-,35-,36+/m0/s1
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19n/an/an/an/an/an/an/an/a



Rochester

Curated by ChEMBL


Assay Description
Binding affinity for Cholecystokinin type A receptor using [125I]BH-CCK-8 in rat pancreatic tissue


J Med Chem 40: 4302-7 (1998)


Article DOI: 10.1021/jm970477u
BindingDB Entry DOI: 10.7270/Q2B858TF
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50018457
PNG
(2-{4-[2-(5-Methoxy-1H-indol-3-yl)-ethylamino]-buty...)
Show SMILES COc1ccc2[nH]cc(CCNCCCCN3C(=O)c4ccccc4C3=O)c2c1
Show InChI InChI=1S/C23H25N3O3/c1-29-17-8-9-21-20(14-17)16(15-25-21)10-12-24-11-4-5-13-26-22(27)18-6-2-3-7-19(18)23(26)28/h2-3,6-9,14-15,24-25H,4-5,10-13H2,1H3
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20n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity of compound towards 5-hydroxytryptamine 1A receptor in rat striatal membranes by [3H]-OH-DPAT displacement.


J Med Chem 32: 1921-6 (1989)


BindingDB Entry DOI: 10.7270/Q2J67FWB
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50018451
PNG
(2-{4-[3-(Naphthalen-1-yloxy)-propylamino]-butyl}-i...)
Show SMILES O=C1N(CCCCNCCCOc2cccc3ccccc23)C(=O)c2ccccc12
Show InChI InChI=1S/C25H26N2O3/c28-24-21-12-3-4-13-22(21)25(29)27(24)17-6-5-15-26-16-8-18-30-23-14-7-10-19-9-1-2-11-20(19)23/h1-4,7,9-14,26H,5-6,8,15-18H2
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25n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity of compound towards 5-hydroxytryptamine 1A receptor in rat striatal membranes by [3H]-OH-DPAT displacement.


J Med Chem 32: 1921-6 (1989)


BindingDB Entry DOI: 10.7270/Q2J67FWB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50061971
PNG
(CHEMBL138958 | Methyl-[2-(naphthalen-1-yloxy)-ethy...)
Show SMILES CNCCOc1cccc2ccccc12
Show InChI InChI=1S/C13H15NO/c1-14-9-10-15-13-8-4-6-11-5-2-3-7-12(11)13/h2-8,14H,9-10H2,1H3
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26n/an/an/an/an/an/an/an/a



Medical College of Virginia/Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Agonist activity to the human recombinant 5-hydroxytryptamine 1B receptor


J Med Chem 40: 4415-9 (1998)


Article DOI: 10.1021/jm970507t
BindingDB Entry DOI: 10.7270/Q2Z038TH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50061971
PNG
(CHEMBL138958 | Methyl-[2-(naphthalen-1-yloxy)-ethy...)
Show SMILES CNCCOc1cccc2ccccc12
Show InChI InChI=1S/C13H15NO/c1-14-9-10-15-13-8-4-6-11-5-2-3-7-12(11)13/h2-8,14H,9-10H2,1H3
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34n/an/an/an/an/an/an/an/a



Medical College of Virginia/Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Compound was tested for its agonist activity against human 5-hydroxytryptamine 1D receptor alpha for comparison purpose.


J Med Chem 40: 4415-9 (1998)


Article DOI: 10.1021/jm970507t
BindingDB Entry DOI: 10.7270/Q2Z038TH
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50018463
PNG
(1-(2-Methoxy-naphthalen-1-yl)-piperazine | CHEMBL2...)
Show SMILES COc1ccc2ccccc2c1N1CCNCC1
Show InChI InChI=1S/C15H18N2O/c1-18-14-7-6-12-4-2-3-5-13(12)15(14)17-10-8-16-9-11-17/h2-7,16H,8-11H2,1H3
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34n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity of compound towards 5-hydroxytryptamine 1A receptor in rat striatal membranes by [3H]-OH-DPAT displacement.


J Med Chem 32: 1921-6 (1989)


BindingDB Entry DOI: 10.7270/Q2J67FWB
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50089275
PNG
(CHEMBL384303 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-{2...)
Show SMILES CCCCC(NC(=O)Cc1ccc(O)cc1)C(=O)NCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCCCNC(=O)\C=C\c1ccc(O)cc1)C(=O)NC(CC(O)=O)C(=O)N(C)C(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C56H67N9O12/c1-3-4-15-43(61-49(69)30-37-20-25-40(67)26-21-37)53(74)60-34-50(70)62-45(31-38-33-59-42-16-9-8-14-41(38)42)55(76)63-44(17-10-11-28-58-48(68)27-22-35-18-23-39(66)24-19-35)54(75)64-46(32-51(71)72)56(77)65(2)47(52(57)73)29-36-12-6-5-7-13-36/h5-9,12-14,16,18-27,33,43-47,59,66-67H,3-4,10-11,15,17,28-32,34H2,1-2H3,(H2,57,73)(H,58,68)(H,60,74)(H,61,69)(H,62,70)(H,63,76)(H,64,75)(H,71,72)/b27-22+
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36n/an/an/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Binding affinity towards Cholecystokinin type B receptor in rat cortex synaptosomes using [125I]BH-CCK-8 as radioligand


J Med Chem 43: 2350-5 (2000)


BindingDB Entry DOI: 10.7270/Q2FX7B4J
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM141313
PNG
(US8653257, 11-Piperazin-1-yl-dibenzo[b,f][1,4]thia...)
Show SMILES C1CN(CCN1)C1=Nc2ccccc2Sc2ccccc12 |t:7|
Show InChI InChI=1S/C17H17N3S/c1-3-7-15-13(5-1)17(20-11-9-18-10-12-20)19-14-6-2-4-8-16(14)21-15/h1-8,18H,9-12H2
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37n/an/an/an/an/an/an/an/a



Astrazeneca AB

US Patent


Assay Description
The ability of test compounds to displace 3H-raclopride at the D2s receptor can be determined on membranes from D2s-transfected CHO cells (Bmax 13 pm...


US Patent US8653257 (2014)


BindingDB Entry DOI: 10.7270/Q2DR2T69
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50016913
PNG
(Butyl-ethyl-[2-(naphthalen-1-yloxy)-ethyl]-amine |...)
Show SMILES CCCCN(CC)CCOc1cccc2ccccc12
Show InChI InChI=1S/C18H25NO/c1-3-5-13-19(4-2)14-15-20-18-12-8-10-16-9-6-7-11-17(16)18/h6-12H,3-5,13-15H2,1-2H3
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39n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 1A receptor of rat hippocampal tissue using [3H]OH-DPAT as radioligand.


J Med Chem 32: 859-63 (1989)


BindingDB Entry DOI: 10.7270/Q2571CMK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50018468
PNG
(2-{3-[3-(Naphthalen-1-yloxy)-propylamino]-propyl}-...)
Show SMILES O=C1N(CCCNCCCOc2cccc3ccccc23)C(=O)c2ccccc12
Show InChI InChI=1S/C24H24N2O3/c27-23-20-11-3-4-12-21(20)24(28)26(23)16-6-14-25-15-7-17-29-22-13-5-9-18-8-1-2-10-19(18)22/h1-5,8-13,25H,6-7,14-17H2
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45n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity of compound towards 5-HT 1A receptor by measuring ability to displace [3H]-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat stria...


J Med Chem 32: 1921-6 (1989)


BindingDB Entry DOI: 10.7270/Q2J67FWB
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50016909
PNG
(CHEMBL140417 | Methyl-[2-(naphthalen-1-yloxy)-ethy...)
Show SMILES CCCN(C)CCOc1cccc2ccccc12
Show InChI InChI=1S/C16H21NO/c1-3-11-17(2)12-13-18-16-10-6-8-14-7-4-5-9-15(14)16/h4-10H,3,11-13H2,1-2H3
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45n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 1A receptor of rat hippocampal tissue using [3H]OH-DPAT as radioligand.


J Med Chem 32: 859-63 (1989)


BindingDB Entry DOI: 10.7270/Q2571CMK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50018454
PNG
(2-[3-(8-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl...)
Show SMILES COc1cccc2CCC(Cc12)NCCCN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C22H24N2O3/c1-27-20-9-4-6-15-10-11-16(14-19(15)20)23-12-5-13-24-21(25)17-7-2-3-8-18(17)22(24)26/h2-4,6-9,16,23H,5,10-14H2,1H3
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48n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity of compound towards 5-hydroxytryptamine 1A receptor in rat striatal membranes by [3H]-OH-DPAT displacement.


J Med Chem 32: 1921-6 (1989)


BindingDB Entry DOI: 10.7270/Q2J67FWB
More data for this
Ligand-Target Pair
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