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Compile Data Set for Download or QSAR

Found 154 hits with Last Name = 'barrett' and Initial = 'td'   
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
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50415081
PNG
(CHEMBL571650)
Show SMILES OC(=O)[C@H](Cc1ccc(F)c(Br)c1)NC(=O)c1ccc(Br)cc1NS(=O)(=O)c1cccc2nccnc12 |r|
Show InChI InChI=1S/C24H17Br2FN4O5S/c25-14-5-6-15(23(32)30-20(24(33)34)11-13-4-7-17(27)16(26)10-13)19(12-14)31-37(35,36)21-3-1-2-18-22(21)29-9-8-28-18/h1-10,12,20,31H,11H2,(H,30,32)(H,33,34)/t20-/m0/s1
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5.01n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK-8S from human CCK-2R after 100 mins by liquid scintillation counting


Bioorg Med Chem Lett 19: 6376-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.065
BindingDB Entry DOI: 10.7270/Q2X92CJK
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50415082
PNG
(CHEMBL583035)
Show SMILES OC(=O)[C@H](Cc1ccc(F)c(Br)c1)NC(=O)c1ccc(I)cc1NS(=O)(=O)c1cccc2nsnc12 |r|
Show InChI InChI=1S/C22H15BrFIN4O5S2/c23-14-8-11(4-7-15(14)24)9-18(22(31)32)26-21(30)13-6-5-12(25)10-17(13)29-36(33,34)19-3-1-2-16-20(19)28-35-27-16/h1-8,10,18,29H,9H2,(H,26,30)(H,31,32)/t18-/m0/s1
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5.01n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK-8S from human CCK-2R after 100 mins by liquid scintillation counting


Bioorg Med Chem Lett 19: 6376-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.065
BindingDB Entry DOI: 10.7270/Q2X92CJK
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50415080
PNG
(CHEMBL585157)
Show SMILES OC(=O)[C@H](Cc1ccc(F)c(Br)c1)NC(=O)c1ccc(Br)cc1NS(=O)(=O)c1cccc2nsnc12 |r|
Show InChI InChI=1S/C22H15Br2FN4O5S2/c23-12-5-6-13(21(30)26-18(22(31)32)9-11-4-7-15(25)14(24)8-11)17(10-12)29-36(33,34)19-3-1-2-16-20(19)28-35-27-16/h1-8,10,18,29H,9H2,(H,26,30)(H,31,32)/t18-/m0/s1
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6.31n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK-8S from human CCK-2R after 100 mins by liquid scintillation counting


Bioorg Med Chem Lett 19: 6376-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.065
BindingDB Entry DOI: 10.7270/Q2X92CJK
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50415083
PNG
(CHEMBL566574)
Show SMILES OC(=O)[C@H](Cc1ccc(F)c(Br)c1)NC(=O)c1cc(Cl)c(Cl)cc1NS(=O)(=O)c1cccc2nccnc12 |r|
Show InChI InChI=1S/C24H16BrCl2FN4O5S/c25-14-8-12(4-5-17(14)28)9-20(24(34)35)31-23(33)13-10-15(26)16(27)11-19(13)32-38(36,37)21-3-1-2-18-22(21)30-7-6-29-18/h1-8,10-11,20,32H,9H2,(H,31,33)(H,34,35)/t20-/m0/s1
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6.31n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK-8S from human CCK-2R after 100 mins by liquid scintillation counting


Bioorg Med Chem Lett 19: 6376-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.065
BindingDB Entry DOI: 10.7270/Q2X92CJK
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50415084
PNG
(CHEMBL565324)
Show SMILES OC(=O)[C@H](Cc1ccc(F)c(Br)c1)NC(=O)c1cc(Cl)c(Cl)cc1NS(=O)(=O)c1cccc2nsnc12 |r|
Show InChI InChI=1S/C22H14BrCl2FN4O5S2/c23-12-6-10(4-5-15(12)26)7-18(22(32)33)27-21(31)11-8-13(24)14(25)9-17(11)30-37(34,35)19-3-1-2-16-20(19)29-36-28-16/h1-6,8-9,18,30H,7H2,(H,27,31)(H,32,33)/t18-/m0/s1
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10n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK-8S from human CCK-2R after 100 mins by liquid scintillation counting


Bioorg Med Chem Lett 19: 6376-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.065
BindingDB Entry DOI: 10.7270/Q2X92CJK
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50415079
PNG
(CHEMBL569391)
Show SMILES OC(=O)[C@H](Cc1ccc(F)c(Br)c1)NC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nccnc12 |r|
Show InChI InChI=1S/C24H17BrClFN4O5S/c25-16-10-13(4-7-17(16)27)11-20(24(33)34)30-23(32)15-6-5-14(26)12-19(15)31-37(35,36)21-3-1-2-18-22(21)29-9-8-28-18/h1-10,12,20,31H,11H2,(H,30,32)(H,33,34)/t20-/m0/s1
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10n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK-8S from human CCK-2R after 100 mins by liquid scintillation counting


Bioorg Med Chem Lett 19: 6376-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.065
BindingDB Entry DOI: 10.7270/Q2X92CJK
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50415078
PNG
(CHEMBL565298)
Show SMILES OC(=O)[C@H](Cc1ccc(F)c(Br)c1)NC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12 |r|
Show InChI InChI=1S/C22H15BrClFN4O5S2/c23-14-8-11(4-7-15(14)25)9-18(22(31)32)26-21(30)13-6-5-12(24)10-17(13)29-36(33,34)19-3-1-2-16-20(19)28-35-27-16/h1-8,10,18,29H,9H2,(H,26,30)(H,31,32)/t18-/m0/s1
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10n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK-8S from human CCK-2R after 100 mins by liquid scintillation counting


Bioorg Med Chem Lett 19: 6376-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.065
BindingDB Entry DOI: 10.7270/Q2X92CJK
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50415077
PNG
(CHEMBL584525)
Show SMILES OC(=O)[C@H](Cc1ccc(Cl)c(Br)c1)NC(=O)c1ccc(Br)cc1NS(=O)(=O)c1cccc2nccnc12 |r|
Show InChI InChI=1S/C24H17Br2ClN4O5S/c25-14-5-6-15(23(32)30-20(24(33)34)11-13-4-7-17(27)16(26)10-13)19(12-14)31-37(35,36)21-3-1-2-18-22(21)29-9-8-28-18/h1-10,12,20,31H,11H2,(H,30,32)(H,33,34)/t20-/m0/s1
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10n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK-8S from human CCK-2R after 100 mins by liquid scintillation counting


Bioorg Med Chem Lett 19: 6376-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.065
BindingDB Entry DOI: 10.7270/Q2X92CJK
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50415085
PNG
(CHEMBL570520)
Show SMILES OC(=O)[C@H](Cc1ccc(Cl)c(Br)c1)NC(=O)c1ccc(Br)cc1NS(=O)(=O)c1cccc2nsnc12 |r|
Show InChI InChI=1S/C22H15Br2ClN4O5S2/c23-12-5-6-13(21(30)26-18(22(31)32)9-11-4-7-15(25)14(24)8-11)17(10-12)29-36(33,34)19-3-1-2-16-20(19)28-35-27-16/h1-8,10,18,29H,9H2,(H,26,30)(H,31,32)/t18-/m0/s1
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12.6n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK-8S from human CCK-2R after 100 mins by liquid scintillation counting


Bioorg Med Chem Lett 19: 6376-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.065
BindingDB Entry DOI: 10.7270/Q2X92CJK
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50415066
PNG
(CHEMBL585914)
Show SMILES OC(=O)[C@H](Cc1ccc(Cl)c(Cl)c1)NC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12 |r|
Show InChI InChI=1S/C22H15Cl3N4O5S2/c23-12-5-6-13(21(30)26-18(22(31)32)9-11-4-7-14(24)15(25)8-11)17(10-12)29-36(33,34)19-3-1-2-16-20(19)28-35-27-16/h1-8,10,18,29H,9H2,(H,26,30)(H,31,32)/t18-/m0/s1
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15.8n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK-8S from human CCK-2R after 100 mins by liquid scintillation counting


Bioorg Med Chem Lett 19: 6376-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.065
BindingDB Entry DOI: 10.7270/Q2X92CJK
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50196190
PNG
(1-[2-[(2,1,3-benzothiadiazol-4-ylsulfonyl)amino]-4...)
Show SMILES Brc1ccc(C(=O)N2CCCCC2)c(NS(=O)(=O)c2cccc3nsnc23)c1
Show InChI InChI=1S/C18H17BrN4O3S2/c19-12-7-8-13(18(24)23-9-2-1-3-10-23)15(11-12)22-28(25,26)16-6-4-5-14-17(16)21-27-20-14/h4-8,11,22H,1-3,9-10H2
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25n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]CCK8S from human CCK2R


Bioorg Med Chem 16: 3917-25 (2008)


Article DOI: 10.1016/j.bmc.2008.01.059
BindingDB Entry DOI: 10.7270/Q2D79F5S
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50196190
PNG
(1-[2-[(2,1,3-benzothiadiazol-4-ylsulfonyl)amino]-4...)
Show SMILES Brc1ccc(C(=O)N2CCCCC2)c(NS(=O)(=O)c2cccc3nsnc23)c1
Show InChI InChI=1S/C18H17BrN4O3S2/c19-12-7-8-13(18(24)23-9-2-1-3-10-23)15(11-12)22-28(25,26)16-6-4-5-14-17(16)21-27-20-14/h4-8,11,22H,1-3,9-10H2
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25n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]CCK-8S from CCK2 receptor


Bioorg Med Chem Lett 17: 6905-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.087
BindingDB Entry DOI: 10.7270/Q2G73HJW
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50415076
PNG
(CHEMBL583344)
Show SMILES OC(=O)[C@H](Cc1ccc(Cl)c(Cl)c1)NC(=O)c1ccc(I)cc1NS(=O)(=O)c1cccc2nsnc12 |r|
Show InChI InChI=1S/C22H15Cl2IN4O5S2/c23-14-7-4-11(8-15(14)24)9-18(22(31)32)26-21(30)13-6-5-12(25)10-17(13)29-36(33,34)19-3-1-2-16-20(19)28-35-27-16/h1-8,10,18,29H,9H2,(H,26,30)(H,31,32)/t18-/m0/s1
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25.1n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK-8S from human CCK-2R after 100 mins by liquid scintillation counting


Bioorg Med Chem Lett 19: 6376-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.065
BindingDB Entry DOI: 10.7270/Q2X92CJK
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50196191
PNG
(4-[4-iodo-2-[(5-quinoxalinylsulfonyl)amino]benzoyl...)
Show SMILES Ic1ccc(C(=O)N2CCOCC2)c(NS(=O)(=O)c2cccc3nccnc23)c1
Show InChI InChI=1S/C19H17IN4O4S/c20-13-4-5-14(19(25)24-8-10-28-11-9-24)16(12-13)23-29(26,27)17-3-1-2-15-18(17)22-7-6-21-15/h1-7,12,23H,8-11H2
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32n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]CCK8S from human CCK2R


Bioorg Med Chem 16: 3917-25 (2008)


Article DOI: 10.1016/j.bmc.2008.01.059
BindingDB Entry DOI: 10.7270/Q2D79F5S
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50196157
PNG
(1-[2-[(2,1,3-benzothiadiazol-4-ylsulfonyl)amino]-4...)
Show SMILES Clc1ccc(C(=O)N2CCCCC2)c(NS(=O)(=O)c2cccc3nsnc23)c1
Show InChI InChI=1S/C18H17ClN4O3S2/c19-12-7-8-13(18(24)23-9-2-1-3-10-23)15(11-12)22-28(25,26)16-6-4-5-14-17(16)21-27-20-14/h4-8,11,22H,1-3,9-10H2
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40n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]CCK8S from human CCK2R


Bioorg Med Chem 16: 3917-25 (2008)


Article DOI: 10.1016/j.bmc.2008.01.059
BindingDB Entry DOI: 10.7270/Q2D79F5S
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50478086
PNG
(CHEMBL261682)
Show SMILES Brc1ccc(C(=O)N2CCCCC2)c(NS(=O)(=O)c2cccc3nccnc23)c1
Show InChI InChI=1S/C20H19BrN4O3S/c21-14-7-8-15(20(26)25-11-2-1-3-12-25)17(13-14)24-29(27,28)18-6-4-5-16-19(18)23-10-9-22-16/h4-10,13,24H,1-3,11-12H2
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63n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]CCK8S from human CCK2R


Bioorg Med Chem 16: 3917-25 (2008)


Article DOI: 10.1016/j.bmc.2008.01.059
BindingDB Entry DOI: 10.7270/Q2D79F5S
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50478090
PNG
(CHEMBL259762)
Show SMILES Brc1ccc(C(=O)N2CCCCC2)c(NS(=O)(=O)c2cccc3scnc23)c1
Show InChI InChI=1S/C19H18BrN3O3S2/c20-13-7-8-14(19(24)23-9-2-1-3-10-23)15(11-13)22-28(25,26)17-6-4-5-16-18(17)21-12-27-16/h4-8,11-12,22H,1-3,9-10H2
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79n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]CCK8S from human CCK2R


Bioorg Med Chem 16: 3917-25 (2008)


Article DOI: 10.1016/j.bmc.2008.01.059
BindingDB Entry DOI: 10.7270/Q2D79F5S
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))
BDBM50415077
PNG
(CHEMBL584525)
Show SMILES OC(=O)[C@H](Cc1ccc(Cl)c(Br)c1)NC(=O)c1ccc(Br)cc1NS(=O)(=O)c1cccc2nccnc12 |r|
Show InChI InChI=1S/C24H17Br2ClN4O5S/c25-14-5-6-15(23(32)30-20(24(33)34)11-13-4-7-17(27)16(26)10-13)19(12-14)31-37(35,36)21-3-1-2-18-22(21)29-9-8-28-18/h1-10,12,20,31H,11H2,(H,30,32)(H,33,34)/t20-/m0/s1
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PubMed
100n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK-8S from human CCK-1R after 100 mins by liquid scintillation counting


Bioorg Med Chem Lett 19: 6376-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.065
BindingDB Entry DOI: 10.7270/Q2X92CJK
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))
BDBM50415085
PNG
(CHEMBL570520)
Show SMILES OC(=O)[C@H](Cc1ccc(Cl)c(Br)c1)NC(=O)c1ccc(Br)cc1NS(=O)(=O)c1cccc2nsnc12 |r|
Show InChI InChI=1S/C22H15Br2ClN4O5S2/c23-12-5-6-13(21(30)26-18(22(31)32)9-11-4-7-15(25)14(24)8-11)17(10-12)29-36(33,34)19-3-1-2-16-20(19)28-35-27-16/h1-8,10,18,29H,9H2,(H,26,30)(H,31,32)/t18-/m0/s1
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126n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK-8S from human CCK-1R after 100 mins by liquid scintillation counting


Bioorg Med Chem Lett 19: 6376-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.065
BindingDB Entry DOI: 10.7270/Q2X92CJK
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))
BDBM50415083
PNG
(CHEMBL566574)
Show SMILES OC(=O)[C@H](Cc1ccc(F)c(Br)c1)NC(=O)c1cc(Cl)c(Cl)cc1NS(=O)(=O)c1cccc2nccnc12 |r|
Show InChI InChI=1S/C24H16BrCl2FN4O5S/c25-14-8-12(4-5-17(14)28)9-20(24(34)35)31-23(33)13-10-15(26)16(27)11-19(13)32-38(36,37)21-3-1-2-18-22(21)30-7-6-29-18/h1-8,10-11,20,32H,9H2,(H,31,33)(H,34,35)/t20-/m0/s1
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158n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK-8S from human CCK-1R after 100 mins by liquid scintillation counting


Bioorg Med Chem Lett 19: 6376-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.065
BindingDB Entry DOI: 10.7270/Q2X92CJK
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))
BDBM50415082
PNG
(CHEMBL583035)
Show SMILES OC(=O)[C@H](Cc1ccc(F)c(Br)c1)NC(=O)c1ccc(I)cc1NS(=O)(=O)c1cccc2nsnc12 |r|
Show InChI InChI=1S/C22H15BrFIN4O5S2/c23-14-8-11(4-7-15(14)24)9-18(22(31)32)26-21(30)13-6-5-12(25)10-17(13)29-36(33,34)19-3-1-2-16-20(19)28-35-27-16/h1-8,10,18,29H,9H2,(H,26,30)(H,31,32)/t18-/m0/s1
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158n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK-8S from human CCK-1R after 100 mins by liquid scintillation counting


Bioorg Med Chem Lett 19: 6376-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.065
BindingDB Entry DOI: 10.7270/Q2X92CJK
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))
BDBM50415084
PNG
(CHEMBL565324)
Show SMILES OC(=O)[C@H](Cc1ccc(F)c(Br)c1)NC(=O)c1cc(Cl)c(Cl)cc1NS(=O)(=O)c1cccc2nsnc12 |r|
Show InChI InChI=1S/C22H14BrCl2FN4O5S2/c23-12-6-10(4-5-15(12)26)7-18(22(32)33)27-21(31)11-8-13(24)14(25)9-17(11)30-37(34,35)19-3-1-2-16-20(19)29-36-28-16/h1-6,8-9,18,30H,7H2,(H,27,31)(H,32,33)/t18-/m0/s1
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158n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK-8S from human CCK-1R after 100 mins by liquid scintillation counting


Bioorg Med Chem Lett 19: 6376-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.065
BindingDB Entry DOI: 10.7270/Q2X92CJK
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))
BDBM50415075
PNG
(CHEMBL566177)
Show SMILES COC(=O)[C@H](Cc1ccc(F)c(Br)c1)NC(=O)c1cc(Cl)c(Cl)cc1NS(=O)(=O)c1cccc2nccnc12 |r|
Show InChI InChI=1S/C25H18BrCl2FN4O5S/c1-38-25(35)21(10-13-5-6-18(29)15(26)9-13)32-24(34)14-11-16(27)17(28)12-20(14)33-39(36,37)22-4-2-3-19-23(22)31-8-7-30-19/h2-9,11-12,21,33H,10H2,1H3,(H,32,34)/t21-/m0/s1
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200n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK-8S from human CCK-1R after 100 mins by liquid scintillation counting


Bioorg Med Chem Lett 19: 6376-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.065
BindingDB Entry DOI: 10.7270/Q2X92CJK
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))
BDBM50415076
PNG
(CHEMBL583344)
Show SMILES OC(=O)[C@H](Cc1ccc(Cl)c(Cl)c1)NC(=O)c1ccc(I)cc1NS(=O)(=O)c1cccc2nsnc12 |r|
Show InChI InChI=1S/C22H15Cl2IN4O5S2/c23-14-7-4-11(8-15(14)24)9-18(22(31)32)26-21(30)13-6-5-12(25)10-17(13)29-36(33,34)19-3-1-2-16-20(19)28-35-27-16/h1-8,10,18,29H,9H2,(H,26,30)(H,31,32)/t18-/m0/s1
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200n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK-8S from human CCK-1R after 100 mins by liquid scintillation counting


Bioorg Med Chem Lett 19: 6376-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.065
BindingDB Entry DOI: 10.7270/Q2X92CJK
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))
BDBM50415080
PNG
(CHEMBL585157)
Show SMILES OC(=O)[C@H](Cc1ccc(F)c(Br)c1)NC(=O)c1ccc(Br)cc1NS(=O)(=O)c1cccc2nsnc12 |r|
Show InChI InChI=1S/C22H15Br2FN4O5S2/c23-12-5-6-13(21(30)26-18(22(31)32)9-11-4-7-15(25)14(24)8-11)17(10-12)29-36(33,34)19-3-1-2-16-20(19)28-35-27-16/h1-8,10,18,29H,9H2,(H,26,30)(H,31,32)/t18-/m0/s1
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251n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK-8S from human CCK-1R after 100 mins by liquid scintillation counting


Bioorg Med Chem Lett 19: 6376-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.065
BindingDB Entry DOI: 10.7270/Q2X92CJK
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))
BDBM50415078
PNG
(CHEMBL565298)
Show SMILES OC(=O)[C@H](Cc1ccc(F)c(Br)c1)NC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12 |r|
Show InChI InChI=1S/C22H15BrClFN4O5S2/c23-14-8-11(4-7-15(14)25)9-18(22(31)32)26-21(30)13-6-5-12(24)10-17(13)29-36(33,34)19-3-1-2-16-20(19)28-35-27-16/h1-8,10,18,29H,9H2,(H,26,30)(H,31,32)/t18-/m0/s1
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251n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK-8S from human CCK-1R after 100 mins by liquid scintillation counting


Bioorg Med Chem Lett 19: 6376-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.065
BindingDB Entry DOI: 10.7270/Q2X92CJK
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50415075
PNG
(CHEMBL566177)
Show SMILES COC(=O)[C@H](Cc1ccc(F)c(Br)c1)NC(=O)c1cc(Cl)c(Cl)cc1NS(=O)(=O)c1cccc2nccnc12 |r|
Show InChI InChI=1S/C25H18BrCl2FN4O5S/c1-38-25(35)21(10-13-5-6-18(29)15(26)9-13)32-24(34)14-11-16(27)17(28)12-20(14)33-39(36,37)22-4-2-3-19-23(22)31-8-7-30-19/h2-9,11-12,21,33H,10H2,1H3,(H,32,34)/t21-/m0/s1
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251n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK-8S from human CCK-2R after 100 mins by liquid scintillation counting


Bioorg Med Chem Lett 19: 6376-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.065
BindingDB Entry DOI: 10.7270/Q2X92CJK
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))
BDBM50415081
PNG
(CHEMBL571650)
Show SMILES OC(=O)[C@H](Cc1ccc(F)c(Br)c1)NC(=O)c1ccc(Br)cc1NS(=O)(=O)c1cccc2nccnc12 |r|
Show InChI InChI=1S/C24H17Br2FN4O5S/c25-14-5-6-15(23(32)30-20(24(33)34)11-13-4-7-17(27)16(26)10-13)19(12-14)31-37(35,36)21-3-1-2-18-22(21)29-9-8-28-18/h1-10,12,20,31H,11H2,(H,30,32)(H,33,34)/t20-/m0/s1
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316n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK-8S from human CCK-1R after 100 mins by liquid scintillation counting


Bioorg Med Chem Lett 19: 6376-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.065
BindingDB Entry DOI: 10.7270/Q2X92CJK
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50477817
PNG
(CHEMBL387285)
Show SMILES Clc1ccc(NS(=O)(=O)c2cccc3nsnc23)c(c1)C(=O)N1CCCCC1
Show InChI InChI=1S/C18H17ClN4O3S2/c19-12-7-8-14(13(11-12)18(24)23-9-2-1-3-10-23)22-28(25,26)16-6-4-5-15-17(16)21-27-20-15/h4-8,11,22H,1-3,9-10H2
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398n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]CCK-8S from CCK2 receptor


Bioorg Med Chem Lett 17: 6905-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.087
BindingDB Entry DOI: 10.7270/Q2G73HJW
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))
BDBM50415079
PNG
(CHEMBL569391)
Show SMILES OC(=O)[C@H](Cc1ccc(F)c(Br)c1)NC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nccnc12 |r|
Show InChI InChI=1S/C24H17BrClFN4O5S/c25-16-10-13(4-7-17(16)27)11-20(24(33)34)30-23(32)15-6-5-14(26)12-19(15)31-37(35,36)21-3-1-2-18-22(21)29-9-8-28-18/h1-10,12,20,31H,11H2,(H,30,32)(H,33,34)/t20-/m0/s1
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398n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK-8S from human CCK-1R after 100 mins by liquid scintillation counting


Bioorg Med Chem Lett 19: 6376-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.065
BindingDB Entry DOI: 10.7270/Q2X92CJK
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50477804
PNG
(CHEMBL251466)
Show SMILES Fc1cccc(F)c1S(=O)(=O)Nc1cc(Br)ccc1C(=O)N1CCCCC1
Show InChI InChI=1S/C18H17BrF2N2O3S/c19-12-7-8-13(18(24)23-9-2-1-3-10-23)16(11-12)22-27(25,26)17-14(20)5-4-6-15(17)21/h4-8,11,22H,1-3,9-10H2
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501n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]CCK-8S from CCK2 receptor


Bioorg Med Chem Lett 17: 6905-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.087
BindingDB Entry DOI: 10.7270/Q2G73HJW
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50478094
PNG
(CHEMBL408452)
Show SMILES Clc1ccc(CNC(=O)c2ccc(Br)cc2NS(=O)(=O)c2cccc3nsnc23)cc1
Show InChI InChI=1S/C20H14BrClN4O3S2/c21-13-6-9-15(20(27)23-11-12-4-7-14(22)8-5-12)17(10-13)26-31(28,29)18-3-1-2-16-19(18)25-30-24-16/h1-10,26H,11H2,(H,23,27)
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501n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]CCK8S from human CCK2R


Bioorg Med Chem 16: 3917-25 (2008)


Article DOI: 10.1016/j.bmc.2008.01.059
BindingDB Entry DOI: 10.7270/Q2D79F5S
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50477813
PNG
(CHEMBL249469)
Show SMILES COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1cc(Br)ccc1C(=O)N1CCCCC1
Show InChI InChI=1S/C20H23BrN2O6S/c1-12-17(20(25)28-3)18(13(2)29-12)30(26,27)22-16-11-14(21)7-8-15(16)19(24)23-9-5-4-6-10-23/h7-8,11,22H,4-6,9-10H2,1-3H3
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501n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]CCK-8S from CCK2 receptor


Bioorg Med Chem Lett 17: 6905-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.087
BindingDB Entry DOI: 10.7270/Q2G73HJW
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50477822
PNG
(CHEMBL251467)
Show SMILES FC(F)(F)c1ccc(c(Cl)c1)S(=O)(=O)Nc1cc(Br)ccc1C(=O)N1CCCCC1
Show InChI InChI=1S/C19H17BrClF3N2O3S/c20-13-5-6-14(18(27)26-8-2-1-3-9-26)16(11-13)25-30(28,29)17-7-4-12(10-15(17)21)19(22,23)24/h4-7,10-11,25H,1-3,8-9H2
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631n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]CCK-8S from CCK2 receptor


Bioorg Med Chem Lett 17: 6905-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.087
BindingDB Entry DOI: 10.7270/Q2G73HJW
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50196192
PNG
(1-[4-bromo-2-[(quinolin-5-ylsulfonyl)amino]-benzoy...)
Show SMILES Brc1ccc(C(=O)N2CCCCC2)c(NS(=O)(=O)c2cccc3ncccc23)c1
Show InChI InChI=1S/C21H20BrN3O3S/c22-15-9-10-17(21(26)25-12-2-1-3-13-25)19(14-15)24-29(27,28)20-8-4-7-18-16(20)6-5-11-23-18/h4-11,14,24H,1-3,12-13H2
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794n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]CCK8S from human CCK2R


Bioorg Med Chem 16: 3917-25 (2008)


Article DOI: 10.1016/j.bmc.2008.01.059
BindingDB Entry DOI: 10.7270/Q2D79F5S
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50477819
PNG
(CHEMBL251486)
Show SMILES Clc1cc(Br)c(s1)S(=O)(=O)Nc1cc(Br)ccc1C(=O)N1CCCCC1
Show InChI InChI=1S/C16H15Br2ClN2O3S2/c17-10-4-5-11(15(22)21-6-2-1-3-7-21)13(8-10)20-26(23,24)16-12(18)9-14(19)25-16/h4-5,8-9,20H,1-3,6-7H2
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794n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]CCK-8S from CCK2 receptor


Bioorg Med Chem Lett 17: 6905-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.087
BindingDB Entry DOI: 10.7270/Q2G73HJW
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50478092
PNG
(CHEMBL410708)
Show SMILES Brc1ccc(C(=O)N2CCCCC2)c(NS(=O)(=O)c2cccc3ncsc23)c1
Show InChI InChI=1S/C19H18BrN3O3S2/c20-13-7-8-14(19(24)23-9-2-1-3-10-23)16(11-13)22-28(25,26)17-6-4-5-15-18(17)27-12-21-15/h4-8,11-12,22H,1-3,9-10H2
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794n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]CCK8S from human CCK2R


Bioorg Med Chem 16: 3917-25 (2008)


Article DOI: 10.1016/j.bmc.2008.01.059
BindingDB Entry DOI: 10.7270/Q2D79F5S
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50478089
PNG
(CHEMBL261636)
Show SMILES Cn1nc2cccc(c2n1)S(=O)(=O)Nc1cc(Br)ccc1C(=O)N1CCCCC1
Show InChI InChI=1S/C19H20BrN5O3S/c1-24-21-15-6-5-7-17(18(15)22-24)29(27,28)23-16-12-13(20)8-9-14(16)19(26)25-10-3-2-4-11-25/h5-9,12,23H,2-4,10-11H2,1H3
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794n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]CCK8S from human CCK2R


Bioorg Med Chem 16: 3917-25 (2008)


Article DOI: 10.1016/j.bmc.2008.01.059
BindingDB Entry DOI: 10.7270/Q2D79F5S
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50478085
PNG
(CHEMBL259224)
Show SMILES Brc1ccc(C(=O)N2CCCCC2)c(NS(=O)(=O)c2cccc3[nH]cnc23)c1
Show InChI InChI=1S/C19H19BrN4O3S/c20-13-7-8-14(19(25)24-9-2-1-3-10-24)16(11-13)23-28(26,27)17-6-4-5-15-18(17)22-12-21-15/h4-8,11-12,23H,1-3,9-10H2,(H,21,22)
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1.59E+3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]CCK8S from human CCK2R


Bioorg Med Chem 16: 3917-25 (2008)


Article DOI: 10.1016/j.bmc.2008.01.059
BindingDB Entry DOI: 10.7270/Q2D79F5S
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50477809
PNG
(CHEMBL251684)
Show SMILES Clc1nc2sccn2c1S(=O)(=O)Nc1cc(Br)ccc1C(=O)N1CCCCC1
Show InChI InChI=1S/C17H16BrClN4O3S2/c18-11-4-5-12(15(24)22-6-2-1-3-7-22)13(10-11)21-28(25,26)16-14(19)20-17-23(16)8-9-27-17/h4-5,8-10,21H,1-3,6-7H2
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1.59E+3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]CCK-8S from CCK2 receptor


Bioorg Med Chem Lett 17: 6905-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.087
BindingDB Entry DOI: 10.7270/Q2G73HJW
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50477814
PNG
(CHEMBL399918)
Show SMILES COC(=O)c1sccc1S(=O)(=O)Nc1cc(Br)ccc1C(=O)N1CCCCC1
Show InChI InChI=1S/C18H19BrN2O5S2/c1-26-18(23)16-15(7-10-27-16)28(24,25)20-14-11-12(19)5-6-13(14)17(22)21-8-3-2-4-9-21/h5-7,10-11,20H,2-4,8-9H2,1H3
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1.59E+3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]CCK-8S from CCK2 receptor


Bioorg Med Chem Lett 17: 6905-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.087
BindingDB Entry DOI: 10.7270/Q2G73HJW
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50196171
PNG
(1-[2-[(2,1,3-benzooxadiazol-4-ylsulfonyl)amino]-4-...)
Show SMILES Clc1ccc(C(=O)N2CCCCC2)c(NS(=O)(=O)c2cccc3nonc23)c1
Show InChI InChI=1S/C18H17ClN4O4S/c19-12-7-8-13(18(24)23-9-2-1-3-10-23)15(11-12)22-28(25,26)16-6-4-5-14-17(16)21-27-20-14/h4-8,11,22H,1-3,9-10H2
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1.59E+3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]CCK8S from human CCK2R


Bioorg Med Chem 16: 3917-25 (2008)


Article DOI: 10.1016/j.bmc.2008.01.059
BindingDB Entry DOI: 10.7270/Q2D79F5S
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50477808
PNG
(CHEMBL251651)
Show SMILES Cc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1cc(Br)ccc1C(=O)N1CCCCC1
Show InChI InChI=1S/C19H20BrN3O5S/c1-13-5-7-15(12-18(13)23(25)26)29(27,28)21-17-11-14(20)6-8-16(17)19(24)22-9-3-2-4-10-22/h5-8,11-12,21H,2-4,9-10H2,1H3
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2.00E+3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]CCK-8S from CCK2 receptor


Bioorg Med Chem Lett 17: 6905-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.087
BindingDB Entry DOI: 10.7270/Q2G73HJW
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50478091
PNG
(CHEMBL259751)
Show SMILES Cn1nnc2c(cccc12)S(=O)(=O)Nc1cc(Br)ccc1C(=O)N1CCCCC1
Show InChI InChI=1S/C19H20BrN5O3S/c1-24-16-6-5-7-17(18(16)21-23-24)29(27,28)22-15-12-13(20)8-9-14(15)19(26)25-10-3-2-4-11-25/h5-9,12,22H,2-4,10-11H2,1H3
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2.00E+3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]CCK8S from human CCK2R


Bioorg Med Chem 16: 3917-25 (2008)


Article DOI: 10.1016/j.bmc.2008.01.059
BindingDB Entry DOI: 10.7270/Q2D79F5S
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50477816
PNG
(CHEMBL399059)
Show SMILES Brc1ccc(C(=O)N2CCCCC2)c(NS(=O)(=O)c2ccc3OCCCOc3c2)c1
Show InChI InChI=1S/C21H23BrN2O5S/c22-15-5-7-17(21(25)24-9-2-1-3-10-24)18(13-15)23-30(26,27)16-6-8-19-20(14-16)29-12-4-11-28-19/h5-8,13-14,23H,1-4,9-12H2
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2.51E+3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]CCK-8S from CCK2 receptor


Bioorg Med Chem Lett 17: 6905-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.087
BindingDB Entry DOI: 10.7270/Q2G73HJW
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50477811
PNG
(CHEMBL251485)
Show SMILES CSc1nccc(n1)-c1ccc(s1)S(=O)(=O)Nc1cc(Br)ccc1C(=O)N1CCCCC1
Show InChI InChI=1S/C21H21BrN4O3S3/c1-30-21-23-10-9-16(24-21)18-7-8-19(31-18)32(28,29)25-17-13-14(22)5-6-15(17)20(27)26-11-3-2-4-12-26/h5-10,13,25H,2-4,11-12H2,1H3
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3.16E+3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]CCK-8S from CCK2 receptor


Bioorg Med Chem Lett 17: 6905-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.087
BindingDB Entry DOI: 10.7270/Q2G73HJW
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50477818
PNG
(CHEMBL399919)
Show SMILES Brc1ccc(C(=O)N2CCCCC2)c(NS(=O)(=O)c2csc3ccccc23)c1
Show InChI InChI=1S/C20H19BrN2O3S2/c21-14-8-9-15(20(24)23-10-4-1-5-11-23)17(12-14)22-28(25,26)19-13-27-18-7-3-2-6-16(18)19/h2-3,6-9,12-13,22H,1,4-5,10-11H2
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3.16E+3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]CCK-8S from CCK2 receptor


Bioorg Med Chem Lett 17: 6905-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.087
BindingDB Entry DOI: 10.7270/Q2G73HJW
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50478087
PNG
(CHEMBL409479)
Show SMILES Brc1ccc(C(=O)N2CCCCC2)c(NS(=O)(=O)c2ccc3ncsc3c2)c1
Show InChI InChI=1S/C19H18BrN3O3S2/c20-13-4-6-15(19(24)23-8-2-1-3-9-23)17(10-13)22-28(25,26)14-5-7-16-18(11-14)27-12-21-16/h4-7,10-12,22H,1-3,8-9H2
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3.16E+3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]CCK8S from human CCK2R


Bioorg Med Chem 16: 3917-25 (2008)


Article DOI: 10.1016/j.bmc.2008.01.059
BindingDB Entry DOI: 10.7270/Q2D79F5S
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50477821
PNG
(CHEMBL251655)
Show SMILES Cc1nc(cs1)-c1ccc(s1)S(=O)(=O)Nc1cc(Br)ccc1C(=O)N1CCCCC1
Show InChI InChI=1S/C20H20BrN3O3S3/c1-13-22-17(12-28-13)18-7-8-19(29-18)30(26,27)23-16-11-14(21)5-6-15(16)20(25)24-9-3-2-4-10-24/h5-8,11-12,23H,2-4,9-10H2,1H3
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3.98E+3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]CCK-8S from CCK2 receptor


Bioorg Med Chem Lett 17: 6905-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.087
BindingDB Entry DOI: 10.7270/Q2G73HJW
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50477807
PNG
(CHEMBL400114)
Show SMILES COC(=O)c1cc(oc1C)S(=O)(=O)Nc1cc(Br)ccc1C(=O)N1CCCCC1
Show InChI InChI=1S/C19H21BrN2O6S/c1-12-15(19(24)27-2)11-17(28-12)29(25,26)21-16-10-13(20)6-7-14(16)18(23)22-8-4-3-5-9-22/h6-7,10-11,21H,3-5,8-9H2,1-2H3
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5.01E+3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]CCK-8S from CCK2 receptor


Bioorg Med Chem Lett 17: 6905-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.087
BindingDB Entry DOI: 10.7270/Q2G73HJW
More data for this
Ligand-Target Pair
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