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Compile Data Set for Download or QSAR

Found 156 hits with Last Name = 'ballaz' and Initial = 's'   
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)
BDBM50060321
PNG
(1H-Indole-2-carboxylic acid ((R)-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-/m0/s1
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0.300n/an/an/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of [3H]-pCCK-8 specific binding to Cholecystokinin type A receptor of rat pancreas


J Med Chem 40: 3402-7 (1997)


Article DOI: 10.1021/jm9703247
BindingDB Entry DOI: 10.7270/Q2B56HV4
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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0.520n/an/an/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of [3H]-pCCK-8 specific binding to Cholecystokinin type A receptor of rat pancreas


J Med Chem 40: 3402-7 (1997)


Article DOI: 10.1021/jm9703247
BindingDB Entry DOI: 10.7270/Q2B56HV4
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50060322
PNG
(CHEMBL332261 | [(S)-1-((4aS,5S)-2-Benzyl-1,3-dioxo...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCCN2[C@H]1CC(=O)N(Cc1ccccc1)C2=O
Show InChI InChI=1S/C31H37N5O5/c1-31(2,3)41-29(39)34-25(16-21-18-32-23-13-8-7-12-22(21)23)28(38)33-24-14-9-15-35-26(24)17-27(37)36(30(35)40)19-20-10-5-4-6-11-20/h4-8,10-13,18,24-26,32H,9,14-17,19H2,1-3H3,(H,33,38)(H,34,39)/t24-,25-,26-/m0/s1
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0.620n/an/an/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of [3H]-pCCK-8 specific binding to Cholecystokinin type A receptor of rat pancreas


J Med Chem 40: 3402-7 (1997)


Article DOI: 10.1021/jm9703247
BindingDB Entry DOI: 10.7270/Q2B56HV4
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50118337
PNG
(1-(benzo[b]thiophen-3-yl)-3-(4-(3,4-dihydro-2H-ben...)
Show SMILES OC(CCN1CCN(CC1)c1cccc2OCCCOc12)c1csc2ccccc12
Show InChI InChI=1S/C24H28N2O3S/c27-21(19-17-30-23-8-2-1-5-18(19)23)9-10-25-11-13-26(14-12-25)20-6-3-7-22-24(20)29-16-4-15-28-22/h1-3,5-8,17,21,27H,4,9-16H2
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1.90n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor in rat frontal cortex homogenates


J Med Chem 45: 4128-39 (2002)


Article DOI: 10.1021/jm0111200
BindingDB Entry DOI: 10.7270/Q2X63M87
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50118332
PNG
(1-(benzo[b]thiophen-3-yl)-3-(4-(quinolin-6-yl)pipe...)
Show SMILES OC(CCN1CCN(CC1)c1ccc2ncccc2c1)c1csc2ccccc12
Show InChI InChI=1S/C24H25N3OS/c28-23(21-17-29-24-6-2-1-5-20(21)24)9-11-26-12-14-27(15-13-26)19-7-8-22-18(16-19)4-3-10-25-22/h1-8,10,16-17,23,28H,9,11-15H2
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2.20n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity towards Serotonin transporter (5-HTT) in rat frontal cortex homogenates


J Med Chem 45: 4128-39 (2002)


Article DOI: 10.1021/jm0111200
BindingDB Entry DOI: 10.7270/Q2X63M87
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50118336
PNG
(1-(5-Fluoro-benzo[b]thiophen-3-yl)-3-(4-quinolin-8...)
Show SMILES OC(CCN1CCN(CC1)c1cccc2cccnc12)c1csc2ccc(F)cc12
Show InChI InChI=1S/C24H24FN3OS/c25-18-6-7-23-19(15-18)20(16-30-23)22(29)8-10-27-11-13-28(14-12-27)21-5-1-3-17-4-2-9-26-24(17)21/h1-7,9,15-16,22,29H,8,10-14H2
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2.70n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor in rat frontal cortex homogenates


J Med Chem 45: 4128-39 (2002)


Article DOI: 10.1021/jm0111200
BindingDB Entry DOI: 10.7270/Q2X63M87
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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2.80n/an/an/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of [3H]- pCCK-8 binding to Cholecystokinin type B receptor of rat cerebral cortex membranes


J Med Chem 40: 3402-7 (1997)


Article DOI: 10.1021/jm9703247
BindingDB Entry DOI: 10.7270/Q2B56HV4
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50118327
PNG
(3-(4-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-6-yl)pi...)
Show SMILES OC(CCN1CCN(CC1)c1cccc2OCCCOc12)c1csc2ccc(F)cc12
Show InChI InChI=1S/C24H27FN2O3S/c25-17-5-6-23-18(15-17)19(16-31-23)21(28)7-8-26-9-11-27(12-10-26)20-3-1-4-22-24(20)30-14-2-13-29-22/h1,3-6,15-16,21,28H,2,7-14H2
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3n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor in rat frontal cortex homogenates


J Med Chem 45: 4128-39 (2002)


Article DOI: 10.1021/jm0111200
BindingDB Entry DOI: 10.7270/Q2X63M87
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50118338
PNG
(1-(benzo[b]thiophen-3-yl)-3-(4-(benzo[b]thiophen-5...)
Show SMILES OC(CCN1CCN(CC1)c1ccc2sccc2c1)c1csc2ccccc12
Show InChI InChI=1S/C23H24N2OS2/c26-21(20-16-28-23-4-2-1-3-19(20)23)7-9-24-10-12-25(13-11-24)18-5-6-22-17(15-18)8-14-27-22/h1-6,8,14-16,21,26H,7,9-13H2
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3.20n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity towards Serotonin transporter (5-HTT) in rat frontal cortex homogenates


J Med Chem 45: 4128-39 (2002)


Article DOI: 10.1021/jm0111200
BindingDB Entry DOI: 10.7270/Q2X63M87
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50118328
PNG
(1-Benzo[b]thiophen-3-yl-3-[4-(1H-indol-4-yl)-piper...)
Show SMILES OC(CCN1CCN(CC1)c1cccc2[nH]ccc12)c1csc2ccccc12
Show InChI InChI=1S/C23H25N3OS/c27-22(19-16-28-23-7-2-1-4-17(19)23)9-11-25-12-14-26(15-13-25)21-6-3-5-20-18(21)8-10-24-20/h1-8,10,16,22,24,27H,9,11-15H2
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4.10n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity towards Serotonin transporter (5-HTT) in rat frontal cortex homogenates


J Med Chem 45: 4128-39 (2002)


Article DOI: 10.1021/jm0111200
BindingDB Entry DOI: 10.7270/Q2X63M87
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50118339
PNG
(1-(benzo[b]thiophen-3-yl)-3-(4-(quinolin-3-yl)pipe...)
Show SMILES OC(CCN1CCN(CC1)c1cnc2ccccc2c1)c1csc2ccccc12
Show InChI InChI=1S/C24H25N3OS/c28-23(21-17-29-24-8-4-2-6-20(21)24)9-10-26-11-13-27(14-12-26)19-15-18-5-1-3-7-22(18)25-16-19/h1-8,15-17,23,28H,9-14H2
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4.20n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity towards Serotonin transporter (5-HTT) in rat frontal cortex homogenates


J Med Chem 45: 4128-39 (2002)


Article DOI: 10.1021/jm0111200
BindingDB Entry DOI: 10.7270/Q2X63M87
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50118328
PNG
(1-Benzo[b]thiophen-3-yl-3-[4-(1H-indol-4-yl)-piper...)
Show SMILES OC(CCN1CCN(CC1)c1cccc2[nH]ccc12)c1csc2ccccc12
Show InChI InChI=1S/C23H25N3OS/c27-22(19-16-28-23-7-2-1-4-17(19)23)9-11-25-12-14-26(15-13-25)21-6-3-5-20-18(21)8-10-24-20/h1-8,10,16,22,24,27H,9,11-15H2
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5.5n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor in rat frontal cortex homogenates


J Med Chem 45: 4128-39 (2002)


Article DOI: 10.1021/jm0111200
BindingDB Entry DOI: 10.7270/Q2X63M87
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50118326
PNG
(1-Benzo[b]thiophen-3-yl-3-[4-(2,3-dihydro-benzo[1,...)
Show SMILES OC(CCN1CCN(CC1)c1cccc2OCCOc12)c1csc2ccccc12
Show InChI InChI=1S/C23H26N2O3S/c26-20(18-16-29-22-7-2-1-4-17(18)22)8-9-24-10-12-25(13-11-24)19-5-3-6-21-23(19)28-15-14-27-21/h1-7,16,20,26H,8-15H2
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5.70n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor in rat frontal cortex homogenates


J Med Chem 45: 4128-39 (2002)


Article DOI: 10.1021/jm0111200
BindingDB Entry DOI: 10.7270/Q2X63M87
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50118330
PNG
(1-(5-Fluoro-benzo[b]thiophen-3-yl)-3-[4-(1H-indol-...)
Show SMILES OC(CCN1CCN(CC1)c1cccc2[nH]ccc12)c1csc2ccc(F)cc12
Show InChI InChI=1S/C23H24FN3OS/c24-16-4-5-23-18(14-16)19(15-29-23)22(28)7-9-26-10-12-27(13-11-26)21-3-1-2-20-17(21)6-8-25-20/h1-6,8,14-15,22,25,28H,7,9-13H2
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5.90n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor in rat frontal cortex homogenates


J Med Chem 45: 4128-39 (2002)


Article DOI: 10.1021/jm0111200
BindingDB Entry DOI: 10.7270/Q2X63M87
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50118335
PNG
(3-(4-(2,3-dihydrobenzo[b][1,4]dioxin-5-yl)piperazi...)
Show SMILES OC(CCN1CCN(CC1)c1cccc2OCCOc12)c1csc2ccc(F)cc12
Show InChI InChI=1S/C23H25FN2O3S/c24-16-4-5-22-17(14-16)18(15-30-22)20(27)6-7-25-8-10-26(11-9-25)19-2-1-3-21-23(19)29-13-12-28-21/h1-5,14-15,20,27H,6-13H2
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6n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor in rat frontal cortex homogenates


J Med Chem 45: 4128-39 (2002)


Article DOI: 10.1021/jm0111200
BindingDB Entry DOI: 10.7270/Q2X63M87
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50118324
PNG
(1-(benzo[b]thiophen-3-yl)-3-(4-(quinolin-8-yl)pipe...)
Show SMILES OC(CCN1CCN(CC1)c1cccc2cccnc12)c1csc2ccccc12
Show InChI InChI=1S/C24H25N3OS/c28-22(20-17-29-23-9-2-1-7-19(20)23)10-12-26-13-15-27(16-14-26)21-8-3-5-18-6-4-11-25-24(18)21/h1-9,11,17,22,28H,10,12-16H2
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6.30n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor in rat frontal cortex homogenates


J Med Chem 45: 4128-39 (2002)


Article DOI: 10.1021/jm0111200
BindingDB Entry DOI: 10.7270/Q2X63M87
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50118329
PNG
(1-Benzo[b]thiophen-3-yl-3-(4-quinolin-2-yl-piperaz...)
Show SMILES OC(CCN1CCN(CC1)c1ccc2ccccc2n1)c1csc2ccccc12
Show InChI InChI=1S/C24H25N3OS/c28-22(20-17-29-23-8-4-2-6-19(20)23)11-12-26-13-15-27(16-14-26)24-10-9-18-5-1-3-7-21(18)25-24/h1-10,17,22,28H,11-16H2
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6.40n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity towards Serotonin transporter (5-HTT) in rat frontal cortex homogenates


J Med Chem 45: 4128-39 (2002)


Article DOI: 10.1021/jm0111200
BindingDB Entry DOI: 10.7270/Q2X63M87
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50118330
PNG
(1-(5-Fluoro-benzo[b]thiophen-3-yl)-3-[4-(1H-indol-...)
Show SMILES OC(CCN1CCN(CC1)c1cccc2[nH]ccc12)c1csc2ccc(F)cc12
Show InChI InChI=1S/C23H24FN3OS/c24-16-4-5-23-18(14-16)19(15-29-23)22(28)7-9-26-10-12-27(13-11-26)21-3-1-2-20-17(21)6-8-25-20/h1-6,8,14-15,22,25,28H,7,9-13H2
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7.30n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity towards Serotonin transporter (5-HTT) in rat frontal cortex homogenates


J Med Chem 45: 4128-39 (2002)


Article DOI: 10.1021/jm0111200
BindingDB Entry DOI: 10.7270/Q2X63M87
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50118336
PNG
(1-(5-Fluoro-benzo[b]thiophen-3-yl)-3-(4-quinolin-8...)
Show SMILES OC(CCN1CCN(CC1)c1cccc2cccnc12)c1csc2ccc(F)cc12
Show InChI InChI=1S/C24H24FN3OS/c25-18-6-7-23-19(15-18)20(16-30-23)22(29)8-10-27-11-13-28(14-12-27)21-5-1-3-17-4-2-9-26-24(17)21/h1-7,9,15-16,22,29H,8,10-14H2
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7.5n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity towards Serotonin transporter (5-HTT) in rat frontal cortex homogenates


J Med Chem 45: 4128-39 (2002)


Article DOI: 10.1021/jm0111200
BindingDB Entry DOI: 10.7270/Q2X63M87
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50118331
PNG
(3-(4-Benzo[1,3]dioxol-4-yl-piperazin-1-yl)-1-(5-fl...)
Show SMILES OC(CCN1CCN(CC1)c1cccc2OCOc12)c1csc2ccc(F)cc12
Show InChI InChI=1S/C22H23FN2O3S/c23-15-4-5-21-16(12-15)17(13-29-21)19(26)6-7-24-8-10-25(11-9-24)18-2-1-3-20-22(18)28-14-27-20/h1-5,12-13,19,26H,6-11,14H2
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9.40n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor in rat frontal cortex homogenates


J Med Chem 45: 4128-39 (2002)


Article DOI: 10.1021/jm0111200
BindingDB Entry DOI: 10.7270/Q2X63M87
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50118325
PNG
(1-Benzo[b]thiophen-3-yl-3-[4-(1,2-dihydro-quinolin...)
Show SMILES OC(CCN1CCN(CC1)C1Nc2ccccc2C=C1)c1csc2ccccc12
Show InChI InChI=1S/C24H27N3OS/c28-22(20-17-29-23-8-4-2-6-19(20)23)11-12-26-13-15-27(16-14-26)24-10-9-18-5-1-3-7-21(18)25-24/h1-10,17,22,24-25,28H,11-16H2
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9.90n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity towards Serotonin transporter (5-HTT) in rat frontal cortex homogenates


J Med Chem 45: 4128-39 (2002)


Article DOI: 10.1021/jm0111200
BindingDB Entry DOI: 10.7270/Q2X63M87
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50118325
PNG
(1-Benzo[b]thiophen-3-yl-3-[4-(1,2-dihydro-quinolin...)
Show SMILES OC(CCN1CCN(CC1)C1Nc2ccccc2C=C1)c1csc2ccccc12
Show InChI InChI=1S/C24H27N3OS/c28-22(20-17-29-23-8-4-2-6-19(20)23)11-12-26-13-15-27(16-14-26)24-10-9-18-5-1-3-7-21(18)25-24/h1-10,17,22,24-25,28H,11-16H2
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10.2n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor in rat frontal cortex homogenates


J Med Chem 45: 4128-39 (2002)


Article DOI: 10.1021/jm0111200
BindingDB Entry DOI: 10.7270/Q2X63M87
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50060323
PNG
(CHEMBL431858 | [(S)-1-((4aR,5R)-2-Benzyl-1,3-dioxo...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2[C@@H]1CC(=O)N(Cc1ccccc1)C2=O
Show InChI InChI=1S/C31H37N5O5/c1-31(2,3)41-29(39)34-25(16-21-18-32-23-13-8-7-12-22(21)23)28(38)33-24-14-9-15-35-26(24)17-27(37)36(30(35)40)19-20-10-5-4-6-11-20/h4-8,10-13,18,24-26,32H,9,14-17,19H2,1-3H3,(H,33,38)(H,34,39)/t24-,25+,26-/m1/s1
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10.6n/an/an/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of [3H]-pCCK-8 specific binding to Cholecystokinin type A receptor of rat pancreas


J Med Chem 40: 3402-7 (1997)


Article DOI: 10.1021/jm9703247
BindingDB Entry DOI: 10.7270/Q2B56HV4
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50118335
PNG
(3-(4-(2,3-dihydrobenzo[b][1,4]dioxin-5-yl)piperazi...)
Show SMILES OC(CCN1CCN(CC1)c1cccc2OCCOc12)c1csc2ccc(F)cc12
Show InChI InChI=1S/C23H25FN2O3S/c24-16-4-5-22-17(14-16)18(15-30-22)20(27)6-7-25-8-10-26(11-9-25)19-2-1-3-21-23(19)29-13-12-28-21/h1-5,14-15,20,27H,6-13H2
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16n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity towards Serotonin transporter (5-HTT) in rat frontal cortex homogenates


J Med Chem 45: 4128-39 (2002)


Article DOI: 10.1021/jm0111200
BindingDB Entry DOI: 10.7270/Q2X63M87
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50118333
PNG
(1-Benzo[b]thiophen-3-yl-3-(4-quinolin-4-yl-piperaz...)
Show SMILES OC(CCN1CCN(CC1)c1ccnc2ccccc12)c1csc2ccccc12
Show InChI InChI=1S/C24H25N3OS/c28-23(20-17-29-24-8-4-2-5-18(20)24)10-12-26-13-15-27(16-14-26)22-9-11-25-21-7-3-1-6-19(21)22/h1-9,11,17,23,28H,10,12-16H2
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19.4n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity towards Serotonin transporter (5-HTT) in rat frontal cortex homogenates


J Med Chem 45: 4128-39 (2002)


Article DOI: 10.1021/jm0111200
BindingDB Entry DOI: 10.7270/Q2X63M87
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50118327
PNG
(3-(4-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-6-yl)pi...)
Show SMILES OC(CCN1CCN(CC1)c1cccc2OCCCOc12)c1csc2ccc(F)cc12
Show InChI InChI=1S/C24H27FN2O3S/c25-17-5-6-23-18(15-17)19(16-31-23)21(28)7-8-26-9-11-27(12-10-26)20-3-1-4-22-24(20)30-14-2-13-29-22/h1,3-6,15-16,21,28H,2,7-14H2
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21.2n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity towards Serotonin transporter (5-HTT) in rat frontal cortex homogenates


J Med Chem 45: 4128-39 (2002)


Article DOI: 10.1021/jm0111200
BindingDB Entry DOI: 10.7270/Q2X63M87
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50118324
PNG
(1-(benzo[b]thiophen-3-yl)-3-(4-(quinolin-8-yl)pipe...)
Show SMILES OC(CCN1CCN(CC1)c1cccc2cccnc12)c1csc2ccccc12
Show InChI InChI=1S/C24H25N3OS/c28-22(20-17-29-23-9-2-1-7-19(20)23)10-12-26-13-15-27(16-14-26)21-8-3-5-18-6-4-11-25-24(18)21/h1-9,11,17,22,28H,10,12-16H2
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24n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity towards Serotonin transporter (5-HTT) in rat frontal cortex homogenates


J Med Chem 45: 4128-39 (2002)


Article DOI: 10.1021/jm0111200
BindingDB Entry DOI: 10.7270/Q2X63M87
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50118340
PNG
(1-(benzo[b]thiophen-3-yl)-3-(4-(quinolin-5-yl)pipe...)
Show SMILES OC(CCN1CCN(CC1)c1cccc2ncccc12)c1csc2ccccc12
Show InChI InChI=1S/C24H25N3OS/c28-23(20-17-29-24-9-2-1-5-18(20)24)10-12-26-13-15-27(16-14-26)22-8-3-7-21-19(22)6-4-11-25-21/h1-9,11,17,23,28H,10,12-16H2
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32.5n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity towards Serotonin transporter (5-HTT) in rat frontal cortex homogenates


J Med Chem 45: 4128-39 (2002)


Article DOI: 10.1021/jm0111200
BindingDB Entry DOI: 10.7270/Q2X63M87
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50118340
PNG
(1-(benzo[b]thiophen-3-yl)-3-(4-(quinolin-5-yl)pipe...)
Show SMILES OC(CCN1CCN(CC1)c1cccc2ncccc12)c1csc2ccccc12
Show InChI InChI=1S/C24H25N3OS/c28-23(20-17-29-24-9-2-1-5-18(20)24)10-12-26-13-15-27(16-14-26)22-8-3-7-21-19(22)6-4-11-25-21/h1-9,11,17,23,28H,10,12-16H2
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36.8n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor in rat frontal cortex homogenates


J Med Chem 45: 4128-39 (2002)


Article DOI: 10.1021/jm0111200
BindingDB Entry DOI: 10.7270/Q2X63M87
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50118326
PNG
(1-Benzo[b]thiophen-3-yl-3-[4-(2,3-dihydro-benzo[1,...)
Show SMILES OC(CCN1CCN(CC1)c1cccc2OCCOc12)c1csc2ccccc12
Show InChI InChI=1S/C23H26N2O3S/c26-20(18-16-29-22-7-2-1-4-17(18)22)8-9-24-10-12-25(13-11-24)19-5-3-6-21-23(19)28-15-14-27-21/h1-7,16,20,26H,8-15H2
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50n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity towards Serotonin transporter (5-HTT) in rat frontal cortex homogenates


J Med Chem 45: 4128-39 (2002)


Article DOI: 10.1021/jm0111200
BindingDB Entry DOI: 10.7270/Q2X63M87
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50118331
PNG
(3-(4-Benzo[1,3]dioxol-4-yl-piperazin-1-yl)-1-(5-fl...)
Show SMILES OC(CCN1CCN(CC1)c1cccc2OCOc12)c1csc2ccc(F)cc12
Show InChI InChI=1S/C22H23FN2O3S/c23-15-4-5-21-16(12-15)17(13-29-21)19(26)6-7-24-8-10-25(11-9-24)18-2-1-3-20-22(18)28-14-27-20/h1-5,12-13,19,26H,6-11,14H2
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58n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity towards Serotonin transporter (5-HTT) in rat frontal cortex homogenates


J Med Chem 45: 4128-39 (2002)


Article DOI: 10.1021/jm0111200
BindingDB Entry DOI: 10.7270/Q2X63M87
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50118341
PNG
(1-(5-Fluoro-benzo[b]thiophen-3-yl)-3-(4-naphthalen...)
Show SMILES OC(CCN1CCN(CC1)c1cccc2ccccc12)c1csc2ccc(F)cc12
Show InChI InChI=1S/C25H25FN2OS/c26-19-8-9-25-21(16-19)22(17-30-25)24(29)10-11-27-12-14-28(15-13-27)23-7-3-5-18-4-1-2-6-20(18)23/h1-9,16-17,24,29H,10-15H2
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62n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity towards Serotonin transporter (5-HTT) in rat frontal cortex homogenates


J Med Chem 45: 4128-39 (2002)


Article DOI: 10.1021/jm0111200
BindingDB Entry DOI: 10.7270/Q2X63M87
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50118342
PNG
(1-(benzo[b]thiophen-3-yl)-3-(4-(naphthalen-1-yl)pi...)
Show SMILES OC(CCN1CCN(CC1)c1cccc2ccccc12)c1csc2ccccc12
Show InChI InChI=1S/C25H26N2OS/c28-24(22-18-29-25-11-4-3-9-21(22)25)12-13-26-14-16-27(17-15-26)23-10-5-7-19-6-1-2-8-20(19)23/h1-11,18,24,28H,12-17H2
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66.7n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor in rat frontal cortex homogenates


J Med Chem 45: 4128-39 (2002)


Article DOI: 10.1021/jm0111200
BindingDB Entry DOI: 10.7270/Q2X63M87
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50118337
PNG
(1-(benzo[b]thiophen-3-yl)-3-(4-(3,4-dihydro-2H-ben...)
Show SMILES OC(CCN1CCN(CC1)c1cccc2OCCCOc12)c1csc2ccccc12
Show InChI InChI=1S/C24H28N2O3S/c27-21(19-17-30-23-8-2-1-5-18(19)23)9-10-25-11-13-26(14-12-25)20-6-3-7-22-24(20)29-16-4-15-28-22/h1-3,5-8,17,21,27H,4,9-16H2
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77n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity towards Serotonin transporter (5-HTT) in rat frontal cortex homogenates


J Med Chem 45: 4128-39 (2002)


Article DOI: 10.1021/jm0111200
BindingDB Entry DOI: 10.7270/Q2X63M87
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50118342
PNG
(1-(benzo[b]thiophen-3-yl)-3-(4-(naphthalen-1-yl)pi...)
Show SMILES OC(CCN1CCN(CC1)c1cccc2ccccc12)c1csc2ccccc12
Show InChI InChI=1S/C25H26N2OS/c28-24(22-18-29-25-11-4-3-9-21(22)25)12-13-26-14-16-27(17-15-26)23-10-5-7-19-6-1-2-8-20(19)23/h1-11,18,24,28H,12-17H2
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81.7n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity towards Serotonin transporter (5-HTT) in rat frontal cortex homogenates


J Med Chem 45: 4128-39 (2002)


Article DOI: 10.1021/jm0111200
BindingDB Entry DOI: 10.7270/Q2X63M87
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50060326
PNG
(CHEMBL116001 | [(R)-1-((4aS,5S)-2-Benzyl-1,3-dioxo...)
Show SMILES CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCCN2[C@H]1CC(=O)N(Cc1ccccc1)C2=O
Show InChI InChI=1S/C31H37N5O5/c1-31(2,3)41-29(39)34-25(16-21-18-32-23-13-8-7-12-22(21)23)28(38)33-24-14-9-15-35-26(24)17-27(37)36(30(35)40)19-20-10-5-4-6-11-20/h4-8,10-13,18,24-26,32H,9,14-17,19H2,1-3H3,(H,33,38)(H,34,39)/t24-,25+,26-/m0/s1
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298n/an/an/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of [3H]-pCCK-8 specific binding to Cholecystokinin type A receptor of rat pancreas


J Med Chem 40: 3402-7 (1997)


Article DOI: 10.1021/jm9703247
BindingDB Entry DOI: 10.7270/Q2B56HV4
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50118333
PNG
(1-Benzo[b]thiophen-3-yl-3-(4-quinolin-4-yl-piperaz...)
Show SMILES OC(CCN1CCN(CC1)c1ccnc2ccccc12)c1csc2ccccc12
Show InChI InChI=1S/C24H25N3OS/c28-23(20-17-29-24-8-4-2-5-18(20)24)10-12-26-13-15-27(16-14-26)22-9-11-25-21-7-3-1-6-19(21)22/h1-9,11,17,23,28H,10,12-16H2
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301n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor in rat frontal cortex homogenates


J Med Chem 45: 4128-39 (2002)


Article DOI: 10.1021/jm0111200
BindingDB Entry DOI: 10.7270/Q2X63M87
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50060321
PNG
(1H-Indole-2-carboxylic acid ((R)-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-/m0/s1
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342n/an/an/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of [3H]- pCCK-8 binding to Cholecystokinin type B receptor of rat cerebral cortex membranes


J Med Chem 40: 3402-7 (1997)


Article DOI: 10.1021/jm9703247
BindingDB Entry DOI: 10.7270/Q2B56HV4
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50118329
PNG
(1-Benzo[b]thiophen-3-yl-3-(4-quinolin-2-yl-piperaz...)
Show SMILES OC(CCN1CCN(CC1)c1ccc2ccccc2n1)c1csc2ccccc12
Show InChI InChI=1S/C24H25N3OS/c28-22(20-17-29-23-8-4-2-6-19(20)23)11-12-26-13-15-27(16-14-26)24-10-9-18-5-1-3-7-21(18)25-24/h1-10,17,22,28H,11-16H2
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377n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor in rat frontal cortex homogenates


J Med Chem 45: 4128-39 (2002)


Article DOI: 10.1021/jm0111200
BindingDB Entry DOI: 10.7270/Q2X63M87
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50118332
PNG
(1-(benzo[b]thiophen-3-yl)-3-(4-(quinolin-6-yl)pipe...)
Show SMILES OC(CCN1CCN(CC1)c1ccc2ncccc2c1)c1csc2ccccc12
Show InChI InChI=1S/C24H25N3OS/c28-23(21-17-29-24-6-2-1-5-20(21)24)9-11-26-12-14-27(15-13-26)19-7-8-22-18(16-19)4-3-10-25-22/h1-8,10,16-17,23,28H,9,11-15H2
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546n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor in rat frontal cortex homogenates


J Med Chem 45: 4128-39 (2002)


Article DOI: 10.1021/jm0111200
BindingDB Entry DOI: 10.7270/Q2X63M87
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50060327
PNG
(CHEMBL116127 | [(S)-1-((4aR,5S)-2-Benzyl-1,3-dioxo...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCCN2[C@@H]1CC(=O)N(Cc1ccccc1)C2=O
Show InChI InChI=1S/C31H37N5O5/c1-31(2,3)41-29(39)34-25(16-21-18-32-23-13-8-7-12-22(21)23)28(38)33-24-14-9-15-35-26(24)17-27(37)36(30(35)40)19-20-10-5-4-6-11-20/h4-8,10-13,18,24-26,32H,9,14-17,19H2,1-3H3,(H,33,38)(H,34,39)/t24-,25-,26+/m0/s1
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572n/an/an/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of [3H]-pCCK-8 specific binding to Cholecystokinin type A receptor of rat pancreas


J Med Chem 40: 3402-7 (1997)


Article DOI: 10.1021/jm9703247
BindingDB Entry DOI: 10.7270/Q2B56HV4
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50060320
PNG
(CHEMBL326064 | [(R)-1-((4aR,5R)-2-Benzyl-1,3-dioxo...)
Show SMILES CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2[C@@H]1CC(=O)N(Cc1ccccc1)C2=O
Show InChI InChI=1S/C31H37N5O5/c1-31(2,3)41-29(39)34-25(16-21-18-32-23-13-8-7-12-22(21)23)28(38)33-24-14-9-15-35-26(24)17-27(37)36(30(35)40)19-20-10-5-4-6-11-20/h4-8,10-13,18,24-26,32H,9,14-17,19H2,1-3H3,(H,33,38)(H,34,39)/t24-,25-,26-/m1/s1
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813n/an/an/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of [3H]-pCCK-8 specific binding to Cholecystokinin type A receptor of rat pancreas


J Med Chem 40: 3402-7 (1997)


Article DOI: 10.1021/jm9703247
BindingDB Entry DOI: 10.7270/Q2B56HV4
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50118338
PNG
(1-(benzo[b]thiophen-3-yl)-3-(4-(benzo[b]thiophen-5...)
Show SMILES OC(CCN1CCN(CC1)c1ccc2sccc2c1)c1csc2ccccc12
Show InChI InChI=1S/C23H24N2OS2/c26-21(20-16-28-23-4-2-1-3-19(20)23)7-9-24-10-12-25(13-11-24)18-5-6-22-17(15-18)8-14-27-22/h1-6,8,14-16,21,26H,7,9-13H2
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913n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor in rat frontal cortex homogenates


J Med Chem 45: 4128-39 (2002)


Article DOI: 10.1021/jm0111200
BindingDB Entry DOI: 10.7270/Q2X63M87
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50118339
PNG
(1-(benzo[b]thiophen-3-yl)-3-(4-(quinolin-3-yl)pipe...)
Show SMILES OC(CCN1CCN(CC1)c1cnc2ccccc2c1)c1csc2ccccc12
Show InChI InChI=1S/C24H25N3OS/c28-23(21-17-29-24-8-4-2-6-20(21)24)9-10-26-11-13-27(14-12-26)19-15-18-5-1-3-7-22(18)25-16-19/h1-8,15-17,23,28H,9-14H2
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995n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor in rat frontal cortex homogenates


J Med Chem 45: 4128-39 (2002)


Article DOI: 10.1021/jm0111200
BindingDB Entry DOI: 10.7270/Q2X63M87
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50060325
PNG
((2S,8S,8aR)-2-Benzyl-8-[(S)-2-tert-butoxycarbonyla...)
Show SMILES COC(=O)[C@@]1(Cc2ccccc2)C[C@@H]2[C@H](CCCN2C1=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C33H40N4O6/c1-32(2,3)43-31(41)36-26(17-22-20-34-24-14-9-8-13-23(22)24)28(38)35-25-15-10-16-37-27(25)19-33(29(37)39,30(40)42-4)18-21-11-6-5-7-12-21/h5-9,11-14,20,25-27,34H,10,15-19H2,1-4H3,(H,35,38)(H,36,41)/t25-,26-,27+,33-/m0/s1
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1.03E+3n/an/an/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of [3H]-pCCK-8 specific binding to Cholecystokinin type A receptor of rat pancreas


J Med Chem 40: 3402-7 (1997)


Article DOI: 10.1021/jm9703247
BindingDB Entry DOI: 10.7270/Q2B56HV4
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50060328
PNG
((2R,8S,8aR)-2-Benzyl-8-[(R)-2-tert-butoxycarbonyla...)
Show SMILES COC(=O)[C@]1(Cc2ccccc2)C[C@@H]2[C@H](CCCN2C1=O)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C33H40N4O6/c1-32(2,3)43-31(41)36-26(17-22-20-34-24-14-9-8-13-23(22)24)28(38)35-25-15-10-16-37-27(25)19-33(29(37)39,30(40)42-4)18-21-11-6-5-7-12-21/h5-9,11-14,20,25-27,34H,10,15-19H2,1-4H3,(H,35,38)(H,36,41)/t25-,26+,27+,33+/m0/s1
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1.56E+3n/an/an/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of [3H]- pCCK-8 binding to Cholecystokinin type B receptor of rat cerebral cortex membranes


J Med Chem 40: 3402-7 (1997)


Article DOI: 10.1021/jm9703247
BindingDB Entry DOI: 10.7270/Q2B56HV4
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50060318
PNG
(CHEMBL324294 | [(R)-1-((4aS,5R)-2-Benzyl-1,3-dioxo...)
Show SMILES CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2[C@H]1CC(=O)N(Cc1ccccc1)C2=O
Show InChI InChI=1S/C31H37N5O5/c1-31(2,3)41-29(39)34-25(16-21-18-32-23-13-8-7-12-22(21)23)28(38)33-24-14-9-15-35-26(24)17-27(37)36(30(35)40)19-20-10-5-4-6-11-20/h4-8,10-13,18,24-26,32H,9,14-17,19H2,1-3H3,(H,33,38)(H,34,39)/t24-,25-,26+/m1/s1
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1.89E+3n/an/an/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of [3H]- pCCK-8 binding to Cholecystokinin type B receptor of rat cerebral cortex membranes


J Med Chem 40: 3402-7 (1997)


Article DOI: 10.1021/jm9703247
BindingDB Entry DOI: 10.7270/Q2B56HV4
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50060323
PNG
(CHEMBL431858 | [(S)-1-((4aR,5R)-2-Benzyl-1,3-dioxo...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2[C@@H]1CC(=O)N(Cc1ccccc1)C2=O
Show InChI InChI=1S/C31H37N5O5/c1-31(2,3)41-29(39)34-25(16-21-18-32-23-13-8-7-12-22(21)23)28(38)33-24-14-9-15-35-26(24)17-27(37)36(30(35)40)19-20-10-5-4-6-11-20/h4-8,10-13,18,24-26,32H,9,14-17,19H2,1-3H3,(H,33,38)(H,34,39)/t24-,25+,26-/m1/s1
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2.73E+3n/an/an/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of [3H]- pCCK-8 binding to Cholecystokinin type B receptor of rat cerebral cortex membranes


J Med Chem 40: 3402-7 (1997)


Article DOI: 10.1021/jm9703247
BindingDB Entry DOI: 10.7270/Q2B56HV4
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50060319
PNG
(CHEMBL113718 | [(S)-1-((4aS,5R)-2-Benzyl-1,3-dioxo...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2[C@H]1CC(=O)N(Cc1ccccc1)C2=O
Show InChI InChI=1S/C31H37N5O5/c1-31(2,3)41-29(39)34-25(16-21-18-32-23-13-8-7-12-22(21)23)28(38)33-24-14-9-15-35-26(24)17-27(37)36(30(35)40)19-20-10-5-4-6-11-20/h4-8,10-13,18,24-26,32H,9,14-17,19H2,1-3H3,(H,33,38)(H,34,39)/t24-,25+,26+/m1/s1
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2.89E+3n/an/an/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of [3H]-pCCK-8 specific binding to Cholecystokinin type A receptor of rat pancreas


J Med Chem 40: 3402-7 (1997)


Article DOI: 10.1021/jm9703247
BindingDB Entry DOI: 10.7270/Q2B56HV4
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50060319
PNG
(CHEMBL113718 | [(S)-1-((4aS,5R)-2-Benzyl-1,3-dioxo...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2[C@H]1CC(=O)N(Cc1ccccc1)C2=O
Show InChI InChI=1S/C31H37N5O5/c1-31(2,3)41-29(39)34-25(16-21-18-32-23-13-8-7-12-22(21)23)28(38)33-24-14-9-15-35-26(24)17-27(37)36(30(35)40)19-20-10-5-4-6-11-20/h4-8,10-13,18,24-26,32H,9,14-17,19H2,1-3H3,(H,33,38)(H,34,39)/t24-,25+,26+/m1/s1
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2.91E+3n/an/an/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of [3H]- pCCK-8 binding to Cholecystokinin type B receptor of rat cerebral cortex membranes


J Med Chem 40: 3402-7 (1997)


Article DOI: 10.1021/jm9703247
BindingDB Entry DOI: 10.7270/Q2B56HV4
More data for this
Ligand-Target Pair
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