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Compile Data Set for Download or QSAR

Found 227 hits with Last Name = 'webdale' and Initial = 'l'   
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


(MOUSE)		BDBM50062005
PNG
((S)-3-[(R)-2-(Adamantan-2-yloxycarbonylamino)-3-(1...)
Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CC(O)=O)Cc1ccccc1 |wU:1.13,wD:29.33,1.0,TLB:15:16:18:21.22.20,THB:23:24:18:21.22.20,23:21:18:16.24.25,20:21:16:19.18.25,20:19:16:21.23.22,(10.8,-2.25,;10.81,-3.63,;10.9,-5.18,;12.26,-5.88,;11.02,-6.79,;11.49,-8.25,;13.03,-8.24,;14.06,-9.39,;15.56,-9.07,;16.04,-7.61,;15.01,-6.46,;13.52,-6.79,;9.43,-3.12,;8.15,-3.96,;8.17,-5.43,;6.76,-3.28,;5.47,-4.12,;5.46,-5.67,;4.44,-6.95,;3.04,-6.37,;1.53,-6.79,;2.74,-5.52,;4.05,-6.01,;2.72,-4.03,;4.08,-3.55,;3.02,-4.78,;12.1,-2.95,;12.07,-1.57,;13.48,-3.63,;14.76,-2.78,;14.67,-1.25,;15.43,.09,;14.65,1.43,;16.98,.11,;16.14,-3.47,;17.43,-2.62,;17.34,-1.25,;18.6,-.23,;20,-.92,;20.1,-2.46,;18.81,-3.31,)|
Show InChI InChI=1S/C33H39N3O5/c1-33(18-25-19-34-28-10-6-5-9-27(25)28,31(39)35-26(17-29(37)38)16-20-7-3-2-4-8-20)36-32(40)41-30-23-12-21-11-22(14-23)15-24(30)13-21/h2-10,19,21-24,26,30,34H,11-18H2,1H3,(H,35,39)(H,36,40)(H,37,38)/t21?,22?,23?,24?,26-,30?,33+/m0/s1
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n/an/a 0.150n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against radioligand [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex

J Med Chem 41: 38-45 (1998)


Article DOI: 10.1021/jm970065l
BindingDB Entry DOI: 10.7270/Q2GT5NV6
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(MOUSE)		BDBM50062000
PNG
(2-[(R)-2-(Adamantan-2-yloxycarbonylamino)-3-(1H-in...)
Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC1CCCCC1C(O)=O |wU:1.13,wD:1.0,TLB:15:16:23:19.25.20,18:19:23:16.17.22,THB:18:17:23:19.25.20,20:21:16:19.18.25,20:19:16:21.23.22,(1.86,-7.02,;1.88,-8.39,;1.95,-9.94,;3.33,-10.64,;2.08,-11.55,;2.56,-13.03,;4.11,-13.02,;5.13,-14.17,;6.63,-13.85,;7.1,-12.37,;6.07,-11.24,;4.57,-11.55,;.49,-7.88,;-.8,-8.73,;-.77,-10.19,;-2.19,-8.04,;-3.48,-8.9,;-3.48,-10.43,;-4.51,-11.72,;-5.92,-11.15,;-7.41,-11.57,;-6.22,-10.29,;-4.89,-10.78,;-6.22,-8.8,;-4.87,-8.32,;-5.92,-9.55,;3.16,-7.71,;3.15,-6.33,;4.41,-8.44,;5.74,-7.68,;7.08,-8.44,;8.41,-7.69,;8.43,-6.14,;7.08,-5.37,;5.74,-6.13,;4.64,-5.03,;5.04,-3.54,;3.15,-5.42,)|
Show InChI InChI=1S/C30H39N3O5/c1-30(15-21-16-31-24-8-4-2-6-22(21)24,28(36)32-25-9-5-3-7-23(25)27(34)35)33-29(37)38-26-19-11-17-10-18(13-19)14-20(26)12-17/h2,4,6,8,16-20,23,25-26,31H,3,5,7,9-15H2,1H3,(H,32,36)(H,33,37)(H,34,35)/t17?,18?,19?,20?,23?,25?,26?,30-/m1/s1
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n/an/a 0.990n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against radioligand [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex

J Med Chem 41: 38-45 (1998)


Article DOI: 10.1021/jm970065l
BindingDB Entry DOI: 10.7270/Q2GT5NV6
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(MOUSE)		BDBM50063665
PNG
(CHEMBL9203 | N-(3-nitrophenyl)-2-[3,4-dihydro-3-[3...)
Show SMILES CC(C)Oc1cccc(c1)-n1c(NNC(=O)Nc2cccc(c2)[N+]([O-])=O)nc2ccccc2c1=O
Show InChI InChI=1S/C24H22N6O5/c1-15(2)35-19-10-6-8-17(14-19)29-22(31)20-11-3-4-12-21(20)26-23(29)27-28-24(32)25-16-7-5-9-18(13-16)30(33)34/h3-15H,1-2H3,(H,26,27)(H2,25,28,32)
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n/an/a 1n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Binding affinity towards Cholecystokinin type B receptor (CCK-B) receptor in mouse cerebral cortex using [125I]-Bolton Hunter CCK-8 as radioligand

J Med Chem 41: 1042-9 (1998)


Article DOI: 10.1021/jm970373j
BindingDB Entry DOI: 10.7270/Q2TQ60N3
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(MOUSE)		BDBM50063640
PNG
(CHEMBL9405 | N-(3-cyanobenzene)-2-[3,4-dihydro-3-[...)
Show SMILES CC(C)Oc1cccc(c1)-n1c(NNC(=O)Nc2cccc(c2)C#N)nc2ccccc2c1=O
Show InChI InChI=1S/C25H22N6O3/c1-16(2)34-20-10-6-9-19(14-20)31-23(32)21-11-3-4-12-22(21)28-24(31)29-30-25(33)27-18-8-5-7-17(13-18)15-26/h3-14,16H,1-2H3,(H,28,29)(H2,27,30,33)
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n/an/a 1.20n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Binding affinity towards Cholecystokinin type B receptor (CCK-B) receptor in mouse cerebral cortex using [125I]-Bolton Hunter CCK-8 as radioligand

J Med Chem 41: 1042-9 (1998)


Article DOI: 10.1021/jm970373j
BindingDB Entry DOI: 10.7270/Q2TQ60N3
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(MOUSE)		BDBM50063630
PNG
(CHEMBL9188 | N-(3-ethylesterbenzoicacid)-2-[3,4-di...)
Show SMILES CCOC(=O)c1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2cccc(OC(C)C)c2)c1
Show InChI InChI=1S/C27H27N5O5/c1-4-36-25(34)18-9-7-10-19(15-18)28-27(35)31-30-26-29-23-14-6-5-13-22(23)24(33)32(26)20-11-8-12-21(16-20)37-17(2)3/h5-17H,4H2,1-3H3,(H,29,30)(H2,28,31,35)
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n/an/a 1.5n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Binding affinity towards Cholecystokinin type B receptor (CCK-B) receptor in mouse cerebral cortex using [125I]-Bolton Hunter CCK-8 as radioligand

J Med Chem 41: 1042-9 (1998)


Article DOI: 10.1021/jm970373j
BindingDB Entry DOI: 10.7270/Q2TQ60N3
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(MOUSE)		BDBM50449787
PNG
(CHEMBL2062154 | PD-134308)
Show SMILES [H][C@@]12C[C@@]3([H])C[C@@]([H])(C1)C(OC(=O)N[C@](C)(Cc1c[nH]c4ccccc14)C(=O)NC[C@H](NC(=O)CCC(O)=O)c1ccccc1)[C@@]([H])(C2)C3 |wU:30.41,14.15,45.49,3.3,wD:6.6,1.0,TLB:5:3:47:9.6.8,10:9:47:3.48.2,THB:5:6:47:3.48.2,10:9:1.47.8:3.5.48,2:3:9:1.47.8,2:1:9:3.5.48,(-14.99,-2.1,;-13.56,-2.66,;-14.77,-3.94,;-13.26,-3.53,;-13.35,-5.06,;-11.86,-4.09,;-10.83,-2.82,;-9.38,-3.33,;-12.24,-3.16,;-10.83,-1.28,;-9.29,-1.31,;-8.5,.01,;-9.25,1.36,;-6.96,-.01,;-6.19,1.3,;-5.42,-.02,;-7.44,2.2,;-7.28,3.74,;-8.44,4.76,;-7.81,6.18,;-6.29,6.03,;-5.14,7.07,;-3.69,6.6,;-3.34,5.08,;-4.49,4.06,;-5.94,4.52,;-4.66,1.42,;-3.99,2.8,;-3.79,.15,;-2.27,.27,;-1.4,-1.02,;-2.08,-2.4,;-1.22,-3.69,;.32,-3.58,;-1.9,-5.07,;-3.43,-5.16,;-4.1,-6.57,;-5.64,-6.67,;-3.25,-7.83,;.14,-.91,;.99,-2.2,;2.51,-2.08,;3.19,-.7,;2.32,.59,;.8,.47,;-12.23,-.7,;-12.2,.82,;-13.58,-1.18,;-13.27,-1.94,)|
Show InChI InChI=1S/C35H42N4O6/c1-35(18-26-19-36-28-10-6-5-9-27(26)28,39-34(44)45-32-24-14-21-13-22(16-24)17-25(32)15-21)33(43)37-20-29(23-7-3-2-4-8-23)38-30(40)11-12-31(41)42/h2-10,19,21-22,24-25,29,32,36H,11-18,20H2,1H3,(H,37,43)(H,38,40)(H,39,44)(H,41,42)/t21-,22+,24-,25+,29-,32?,35+/m0/s1
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n/an/a 1.70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]- Bolton-Hunter labeled CCK-8 to CCK-B receptor in the mouse cerebral cortex

Bioorg Med Chem Lett 7: 2009-2014 (1997)


Article DOI: 10.1016/S0960-894X(97)00356-9
BindingDB Entry DOI: 10.7270/Q2DJ5FM6
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(MOUSE)		BDBM50449787
PNG
(CHEMBL2062154 | PD-134308)
Show SMILES [H][C@@]12C[C@@]3([H])C[C@@]([H])(C1)C(OC(=O)N[C@](C)(Cc1c[nH]c4ccccc14)C(=O)NC[C@H](NC(=O)CCC(O)=O)c1ccccc1)[C@@]([H])(C2)C3 |wU:30.41,14.15,45.49,3.3,wD:6.6,1.0,TLB:5:3:47:9.6.8,10:9:47:3.48.2,THB:5:6:47:3.48.2,10:9:1.47.8:3.5.48,2:3:9:1.47.8,2:1:9:3.5.48,(-14.99,-2.1,;-13.56,-2.66,;-14.77,-3.94,;-13.26,-3.53,;-13.35,-5.06,;-11.86,-4.09,;-10.83,-2.82,;-9.38,-3.33,;-12.24,-3.16,;-10.83,-1.28,;-9.29,-1.31,;-8.5,.01,;-9.25,1.36,;-6.96,-.01,;-6.19,1.3,;-5.42,-.02,;-7.44,2.2,;-7.28,3.74,;-8.44,4.76,;-7.81,6.18,;-6.29,6.03,;-5.14,7.07,;-3.69,6.6,;-3.34,5.08,;-4.49,4.06,;-5.94,4.52,;-4.66,1.42,;-3.99,2.8,;-3.79,.15,;-2.27,.27,;-1.4,-1.02,;-2.08,-2.4,;-1.22,-3.69,;.32,-3.58,;-1.9,-5.07,;-3.43,-5.16,;-4.1,-6.57,;-5.64,-6.67,;-3.25,-7.83,;.14,-.91,;.99,-2.2,;2.51,-2.08,;3.19,-.7,;2.32,.59,;.8,.47,;-12.23,-.7,;-12.2,.82,;-13.58,-1.18,;-13.27,-1.94,)|
Show InChI InChI=1S/C35H42N4O6/c1-35(18-26-19-36-28-10-6-5-9-27(26)28,39-34(44)45-32-24-14-21-13-22(16-24)17-25(32)15-21)33(43)37-20-29(23-7-3-2-4-8-23)38-30(40)11-12-31(41)42/h2-10,19,21-22,24-25,29,32,36H,11-18,20H2,1H3,(H,37,43)(H,38,40)(H,39,44)(H,41,42)/t21-,22+,24-,25+,29-,32?,35+/m0/s1
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n/an/a 1.70n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against radioligand [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex

J Med Chem 41: 38-45 (1998)


Article DOI: 10.1021/jm970065l
BindingDB Entry DOI: 10.7270/Q2GT5NV6
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(MOUSE)		BDBM50063616
PNG
(CHEMBL8890 | N-(3-tert-butylbenzoicacid)-2-[3,4-di...)
Show SMILES CC(C)Oc1cccc(c1)-n1c(NNC(=O)Nc2cccc(c2)C(=O)OC(C)(C)C)nc2ccccc2c1=O
Show InChI InChI=1S/C29H31N5O5/c1-18(2)38-22-13-9-12-21(17-22)34-25(35)23-14-6-7-15-24(23)31-27(34)32-33-28(37)30-20-11-8-10-19(16-20)26(36)39-29(3,4)5/h6-18H,1-5H3,(H,31,32)(H2,30,33,37)
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n/an/a 1.90n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Binding affinity towards Cholecystokinin type B receptor (CCK-B) receptor in mouse cerebral cortex using [125I]-Bolton Hunter CCK-8 as radioligand

J Med Chem 41: 1042-9 (1998)


Article DOI: 10.1021/jm970373j
BindingDB Entry DOI: 10.7270/Q2TQ60N3
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(MOUSE)		BDBM50063666
PNG
(CHEMBL266557 | N-(3-ethylesterbenzoicacid)-2-[3,4-...)
Show SMILES CCOC(=O)c1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2ccc(Cl)c(Cl)c2)c1
Show InChI InChI=1S/C24H19Cl2N5O4/c1-2-35-22(33)14-6-5-7-15(12-14)27-24(34)30-29-23-28-20-9-4-3-8-17(20)21(32)31(23)16-10-11-18(25)19(26)13-16/h3-13H,2H2,1H3,(H,28,29)(H2,27,30,34)
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n/an/a 2.40n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Binding affinity towards Cholecystokinin type B receptor (CCK-B) receptor in mouse cerebral cortex using [125I]-Bolton Hunter CCK-8 as radioligand

J Med Chem 41: 1042-9 (1998)


Article DOI: 10.1021/jm970373j
BindingDB Entry DOI: 10.7270/Q2TQ60N3
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(MOUSE)		BDBM50062003
PNG
(CHEMBL138233 | [(R)-2-(1H-Indol-3-yl)-1-((R)-2-met...)
Show SMILES COC[C@H]1CCCN1NC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3 |wU:11.25,wD:11.12,3.2,TLB:36:35:33:30.29.31,THB:36:30:27.35.34:33,31:32:27:30.29.36,31:30:27:32.34.33,26:27:33:30.29.31,(8.73,-11.26,;8.31,-9.76,;6.82,-9.39,;6.39,-7.89,;7.35,-6.69,;6.5,-5.4,;5.01,-5.81,;4.94,-7.37,;3.66,-8.22,;2.42,-7.49,;2.39,-6.11,;1.13,-8.17,;1.12,-6.79,;1.22,-9.72,;2.58,-10.42,;1.34,-11.33,;1.81,-12.8,;3.35,-12.78,;4.38,-13.93,;5.88,-13.62,;6.36,-12.15,;5.33,-11,;3.84,-11.33,;-.25,-7.66,;-1.54,-8.5,;-1.51,-9.97,;-2.92,-7.82,;-4.21,-8.66,;-4.23,-10.21,;-5.63,-10.55,;-6.95,-10.06,;-8.16,-11.33,;-6.64,-10.91,;-5.24,-11.49,;-6.66,-9.32,;-5.61,-8.08,;-6.96,-8.57,)|
Show InChI InChI=1S/C29H40N4O4/c1-29(15-22-16-30-25-8-4-3-7-24(22)25,27(34)32-33-9-5-6-23(33)17-36-2)31-28(35)37-26-20-11-18-10-19(13-20)14-21(26)12-18/h3-4,7-8,16,18-21,23,26,30H,5-6,9-15,17H2,1-2H3,(H,31,35)(H,32,34)/t18?,19?,20?,21?,23-,26?,29-/m1/s1
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n/an/a 2.5n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against radioligand [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex

J Med Chem 41: 38-45 (1998)


Article DOI: 10.1021/jm970065l
BindingDB Entry DOI: 10.7270/Q2GT5NV6
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(MOUSE)		BDBM50061997
PNG
(CHEMBL138084 | [(R)-1-((1R,2R)-2-Hydroxy-cyclohexy...)
Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@@H]1CCCC[C@H]1O |wU:1.13,29.33,wD:34.40,1.0,TLB:25:24:22:19.18.20,THB:25:19:16.24.23:22,20:21:16:19.18.25,20:19:16:21.23.22,15:16:22:19.18.20,(8.08,-2.21,;8.11,-3.57,;8.18,-5.11,;9.56,-5.81,;8.32,-6.72,;8.78,-8.2,;10.33,-8.2,;11.36,-9.35,;12.86,-9.02,;13.32,-7.54,;12.29,-6.42,;10.8,-6.72,;6.72,-3.05,;5.44,-3.92,;5.46,-5.37,;4.03,-3.21,;2.75,-4.08,;2.75,-5.6,;1.34,-5.95,;.01,-5.46,;-1.19,-6.75,;.31,-6.33,;1.72,-6.89,;.31,-4.74,;1.37,-3.49,;.01,-3.99,;9.39,-2.89,;9.37,-1.51,;10.63,-3.61,;11.97,-2.86,;13.3,-3.61,;14.63,-2.86,;14.66,-1.32,;13.3,-.55,;11.97,-1.32,;10.87,-.22,)|
Show InChI InChI=1S/C29H39N3O4/c1-29(27(34)31-24-8-4-5-9-25(24)33,15-21-16-30-23-7-3-2-6-22(21)23)32-28(35)36-26-19-11-17-10-18(13-19)14-20(26)12-17/h2-3,6-7,16-20,24-26,30,33H,4-5,8-15H2,1H3,(H,31,34)(H,32,35)/t17?,18?,19?,20?,24-,25-,26?,29-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against radioligand [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex

J Med Chem 41: 38-45 (1998)


Article DOI: 10.1021/jm970065l
BindingDB Entry DOI: 10.7270/Q2GT5NV6
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(MOUSE)		BDBM50061994
PNG
(CHEMBL138112 | [(R)-1-(2-Cyano-cyclohexylcarbamoyl...)
Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC1CCCCC1C#N |wU:1.13,wD:1.0,TLB:18:19:16.17.22:23,15:16:23:19.25.20,THB:18:17:23:19.25.20,20:19:16:21.22.23,20:21:16:19.18.25,(1.86,-7.02,;1.88,-8.39,;1.95,-9.94,;3.33,-10.64,;2.08,-11.55,;2.56,-13.03,;4.11,-13.02,;5.13,-14.17,;6.63,-13.85,;7.1,-12.37,;6.07,-11.24,;4.57,-11.55,;.49,-7.88,;-.8,-8.73,;-.77,-10.19,;-2.19,-8.04,;-3.48,-8.9,;-4.87,-8.32,;-6.22,-8.8,;-6.22,-10.29,;-7.41,-11.57,;-5.92,-11.15,;-5.92,-9.55,;-4.51,-11.72,;-3.48,-10.43,;-4.89,-10.78,;3.16,-7.71,;3.15,-6.33,;4.41,-8.44,;5.74,-7.68,;7.08,-8.44,;8.41,-7.69,;8.43,-6.14,;7.08,-5.37,;5.74,-6.13,;4.64,-5.03,;3.54,-3.93,)|
Show InChI InChI=1S/C30H38N4O3/c1-30(15-23-17-32-26-9-5-3-7-24(23)26,28(35)33-25-8-4-2-6-20(25)16-31)34-29(36)37-27-21-11-18-10-19(13-21)14-22(27)12-18/h3,5,7,9,17-22,25,27,32H,2,4,6,8,10-15H2,1H3,(H,33,35)(H,34,36)/t18?,19?,20?,21?,22?,25?,27?,30-/m1/s1
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n/an/a 3.5n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against radioligand [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex

J Med Chem 41: 38-45 (1998)


Article DOI: 10.1021/jm970065l
BindingDB Entry DOI: 10.7270/Q2GT5NV6
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(MOUSE)		BDBM50062006
PNG
(CHEMBL344882 | [(R)-1-((1R,2R)-2-Hydroxy-cyclohept...)
Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@@H]1CCCCC[C@H]1O |wU:1.13,29.33,wD:35.41,1.0,TLB:25:24:22:19.18.20,THB:25:19:16.24.23:22,20:21:16:19.18.25,20:19:16:21.23.22,15:16:22:19.18.20,(9.7,-1.95,;9.72,-3.31,;9.79,-4.86,;11.17,-5.56,;9.92,-6.47,;10.4,-7.95,;11.95,-7.95,;12.96,-9.1,;14.48,-8.77,;14.95,-7.29,;13.92,-6.17,;12.42,-6.47,;8.32,-2.8,;7.04,-3.66,;7.06,-5.11,;5.65,-2.96,;4.34,-3.83,;4.34,-5.35,;2.95,-5.7,;1.62,-5.21,;.42,-6.5,;1.92,-6.08,;3.33,-6.64,;1.92,-4.48,;2.96,-3.24,;1.62,-3.73,;10.99,-2.63,;10.99,-1.25,;12.25,-3.36,;13.59,-2.61,;14.86,-3.47,;16.34,-3.01,;16.9,-1.58,;16.14,-.24,;14.6,-.01,;13.47,-1.04,;12.04,-.48,)|
Show InChI InChI=1S/C30H41N3O4/c1-30(16-22-17-31-24-8-6-5-7-23(22)24,28(35)32-25-9-3-2-4-10-26(25)34)33-29(36)37-27-20-12-18-11-19(14-20)15-21(27)13-18/h5-8,17-21,25-27,31,34H,2-4,9-16H2,1H3,(H,32,35)(H,33,36)/t18?,19?,20?,21?,25-,26-,27?,30-/m1/s1
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n/an/a 4.70n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against radioligand [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex

J Med Chem 41: 38-45 (1998)


Article DOI: 10.1021/jm970065l
BindingDB Entry DOI: 10.7270/Q2GT5NV6
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(MOUSE)		BDBM50063636
PNG
(CHEMBL9406 | N-(3-ethylesterbenzoicacid)-2-[3,4-di...)
Show SMILES CCOC(=O)c1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2cccc(c2)N(C)C)c1
Show InChI InChI=1S/C26H26N6O4/c1-4-36-24(34)17-9-7-10-18(15-17)27-26(35)30-29-25-28-22-14-6-5-13-21(22)23(33)32(25)20-12-8-11-19(16-20)31(2)3/h5-16H,4H2,1-3H3,(H,28,29)(H2,27,30,35)
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n/an/a 5n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Binding affinity towards Cholecystokinin type B receptor (CCK-B) receptor in mouse cerebral cortex using [125I]-Bolton Hunter CCK-8 as radioligand

J Med Chem 41: 1042-9 (1998)


Article DOI: 10.1021/jm970373j
BindingDB Entry DOI: 10.7270/Q2TQ60N3
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(MOUSE)		BDBM50063661
PNG
(CHEMBL9267 | N-(3-ethylesterbenzoicacid)-2-[3,4-di...)
Show SMILES CCOC(=O)c1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2cccc(OCC)c2)c1
Show InChI InChI=1S/C26H25N5O5/c1-3-35-20-12-8-11-19(16-20)31-23(32)21-13-5-6-14-22(21)28-25(31)29-30-26(34)27-18-10-7-9-17(15-18)24(33)36-4-2/h5-16H,3-4H2,1-2H3,(H,28,29)(H2,27,30,34)
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n/an/a 5n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Binding affinity towards Cholecystokinin type B receptor (CCK-B) receptor in mouse cerebral cortex using [125I]-Bolton Hunter CCK-8 as radioligand

J Med Chem 41: 1042-9 (1998)


Article DOI: 10.1021/jm970373j
BindingDB Entry DOI: 10.7270/Q2TQ60N3
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(MOUSE)		BDBM50063650
PNG
(CHEMBL275307 | N-(3-benzonitrile)-2-[3,4-dihydro-3...)
Show SMILES CCOc1cccc(c1)-n1c(NNC(=O)Nc2cccc(c2)C#N)nc2ccccc2c1=O
Show InChI InChI=1S/C24H20N6O3/c1-2-33-19-10-6-9-18(14-19)30-22(31)20-11-3-4-12-21(20)27-23(30)28-29-24(32)26-17-8-5-7-16(13-17)15-25/h3-14H,2H2,1H3,(H,27,28)(H2,26,29,32)
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n/an/a 5.80n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Binding affinity towards Cholecystokinin type B receptor (CCK-B) receptor in mouse cerebral cortex using [125I]-Bolton Hunter CCK-8 as radioligand

J Med Chem 41: 1042-9 (1998)


Article DOI: 10.1021/jm970373j
BindingDB Entry DOI: 10.7270/Q2TQ60N3
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(MOUSE)		BDBM50063644
PNG
(CHEMBL276627 | N-(3-chlorophenyl)-2-[3,4-dihydro-3...)
Show SMILES CC(C)Oc1cccc(c1)-n1c(NNC(=O)Nc2cccc(Cl)c2)nc2ccccc2c1=O
Show InChI InChI=1S/C24H22ClN5O3/c1-15(2)33-19-10-6-9-18(14-19)30-22(31)20-11-3-4-12-21(20)27-23(30)28-29-24(32)26-17-8-5-7-16(25)13-17/h3-15H,1-2H3,(H,27,28)(H2,26,29,32)
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n/an/a 5.90n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Binding affinity towards Cholecystokinin type B receptor (CCK-B) receptor in mouse cerebral cortex using [125I]-Bolton Hunter CCK-8 as radioligand

J Med Chem 41: 1042-9 (1998)


Article DOI: 10.1021/jm970373j
BindingDB Entry DOI: 10.7270/Q2TQ60N3
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(MOUSE)		BDBM50289877
PNG
(CHEMBL62832 | [(S)-1-((1R,2R)-2-Hydroxy-1-hydroxym...)
Show SMILES C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CO)[C@H](O)c1ccccc1 |wU:29.33,1.0,wD:1.13,32.37,TLB:15:16:18:21.22.20,THB:23:24:18:21.22.20,23:21:18:16.24.25,20:19:16:21.23.22,20:21:16:19.18.25,(9.57,-2.06,;9.57,-3.6,;9.97,-5.08,;9.57,-6.55,;8.49,-7.44,;8.72,-8.82,;10.04,-9.31,;10.26,-10.69,;11.58,-11.18,;12.66,-10.27,;12.42,-8.89,;11.11,-8.42,;8.25,-4.38,;6.91,-3.63,;6.9,-2.09,;5.57,-4.4,;4.24,-5.18,;4.24,-6.72,;3.86,-8.5,;2.34,-8.05,;.76,-8.33,;1.57,-6.72,;2.91,-7.49,;1.57,-5.18,;2.91,-4.4,;2.34,-5.64,;10.93,-4.36,;10.94,-5.9,;12.25,-3.58,;13.59,-4.33,;13.62,-5.88,;14.95,-6.65,;14.93,-3.55,;14.9,-2,;16.27,-4.31,;16.28,-5.85,;17.61,-6.62,;18.95,-5.83,;18.92,-4.29,;17.59,-3.53,)|
Show InChI InChI=1S/C32H39N3O5/c1-32(16-24-17-33-26-10-6-5-9-25(24)26,30(38)34-27(18-36)28(37)21-7-3-2-4-8-21)35-31(39)40-29-22-12-19-11-20(14-22)15-23(29)13-19/h2-10,17,19-20,22-23,27-29,33,36-37H,11-16,18H2,1H3,(H,34,38)(H,35,39)/t19?,20?,22?,23?,27-,28-,29?,32+/m1/s1
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n/an/a 6.10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]- Bolton-Hunter labeled CCK-8 to CCK-B receptor in the mouse cerebral cortex

Bioorg Med Chem Lett 7: 2009-2014 (1997)


Article DOI: 10.1016/S0960-894X(97)00356-9
BindingDB Entry DOI: 10.7270/Q2DJ5FM6
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(MOUSE)		BDBM50062001
PNG
(CHEMBL344380 | [(R)-1-(2-Hydroxy-cyclohexylcarbamo...)
Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC1CCCCC1O |wU:1.13,wD:1.0,TLB:25:24:22:19.18.20,THB:25:19:16.24.23:22,20:21:16:19.18.25,20:19:16:21.23.22,15:16:22:19.18.20,(10.96,-3.48,;10.98,-4.85,;11.05,-6.4,;12.43,-7.1,;11.18,-8.02,;11.66,-9.49,;13.21,-9.48,;14.23,-10.63,;15.74,-10.31,;16.21,-8.84,;15.17,-7.7,;13.67,-8.02,;9.59,-4.34,;8.3,-5.19,;8.32,-6.66,;6.9,-4.5,;5.61,-5.35,;5.61,-6.89,;4.2,-7.24,;2.87,-6.75,;1.67,-8.02,;3.17,-7.6,;4.58,-8.18,;3.17,-6.01,;4.22,-4.78,;2.87,-5.26,;12.26,-4.17,;12.24,-2.79,;13.51,-4.9,;14.85,-4.13,;16.18,-4.9,;17.52,-4.15,;17.53,-2.6,;16.18,-1.83,;14.85,-2.59,;13.74,-1.48,)|
Show InChI InChI=1S/C29H39N3O4/c1-29(27(34)31-24-8-4-5-9-25(24)33,15-21-16-30-23-7-3-2-6-22(21)23)32-28(35)36-26-19-11-17-10-18(13-19)14-20(26)12-17/h2-3,6-7,16-20,24-26,30,33H,4-5,8-15H2,1H3,(H,31,34)(H,32,35)/t17?,18?,19?,20?,24?,25?,26?,29-/m1/s1
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n/an/a 6.20n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against radioligand [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex

J Med Chem 41: 38-45 (1998)


Article DOI: 10.1021/jm970065l
BindingDB Entry DOI: 10.7270/Q2GT5NV6
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(MOUSE)		BDBM50061988
PNG
(CHEMBL138657 | [(R)-1-((S)-1-Hydroxymethyl-2-pheny...)
Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CO)Cc1ccccc1 |wU:1.13,wD:29.33,1.0,TLB:25:24:22:19.18.20,THB:25:19:16.24.23:22,20:19:16:21.23.22,20:21:16:19.18.25,15:16:22:19.18.20,(-.04,-8.98,;-.02,-10.34,;.05,-11.88,;1.42,-12.58,;.17,-13.49,;.65,-14.96,;2.19,-14.95,;3.2,-16.09,;4.71,-15.77,;5.18,-14.3,;4.16,-13.18,;2.67,-13.49,;-1.41,-9.83,;-2.7,-10.68,;-2.67,-12.13,;-4.07,-9.99,;-5.36,-10.84,;-5.36,-12.37,;-6.76,-12.72,;-8.08,-12.23,;-9.28,-13.5,;-7.78,-13.08,;-6.38,-13.65,;-7.79,-11.5,;-6.75,-10.27,;-8.11,-10.75,;1.24,-9.66,;1.24,-8.29,;2.62,-10.35,;3.9,-9.5,;3.81,-7.96,;4.58,-6.63,;5.28,-10.19,;6.56,-9.34,;6.48,-7.96,;7.74,-6.96,;9.13,-7.63,;9.22,-9.17,;7.94,-10.03,)|
Show InChI InChI=1S/C32H39N3O4/c1-32(17-25-18-33-28-10-6-5-9-27(25)28,30(37)34-26(19-36)16-20-7-3-2-4-8-20)35-31(38)39-29-23-12-21-11-22(14-23)15-24(29)13-21/h2-10,18,21-24,26,29,33,36H,11-17,19H2,1H3,(H,34,37)(H,35,38)/t21?,22?,23?,24?,26-,29?,32+/m0/s1
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n/an/a 6.30n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against radioligand [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex

J Med Chem 41: 38-45 (1998)


Article DOI: 10.1021/jm970065l
BindingDB Entry DOI: 10.7270/Q2GT5NV6
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(MOUSE)		BDBM50061993
PNG
(CHEMBL337529 | [(R)-1-(3-Aza-bicyclo[3.2.2]non-3-y...)
Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NN1CC2CCC(CC2)C1 |wU:1.13,wD:1.0,TLB:18:19:16.17.22:23,15:16:23:19.25.20,THB:18:17:23:19.25.20,20:21:16:19.18.25,20:19:16:21.22.23,(1.12,-6.79,;1.13,-8.18,;1.22,-9.72,;2.58,-10.42,;1.34,-11.33,;1.81,-12.8,;3.35,-12.79,;4.38,-13.93,;5.88,-13.62,;6.37,-12.15,;5.34,-11.01,;3.85,-11.33,;-.25,-7.66,;-1.54,-8.5,;-1.51,-9.98,;-2.93,-7.82,;-4.21,-8.67,;-5.61,-8.08,;-6.97,-8.57,;-6.95,-10.06,;-8.16,-11.33,;-6.65,-10.91,;-6.66,-9.32,;-5.24,-11.49,;-4.23,-10.21,;-5.63,-10.55,;2.42,-7.5,;2.39,-6.12,;3.66,-8.22,;4.95,-7.37,;6.28,-8.17,;7.73,-7.61,;8.2,-6.14,;7.33,-4.85,;5.79,-4.73,;5.79,-6.27,;6.55,-7.61,;4.74,-5.85,)|
Show InChI InChI=1S/C31H42N4O3/c1-31(15-25-16-32-27-5-3-2-4-26(25)27,29(36)34-35-17-19-6-7-20(18-35)9-8-19)33-30(37)38-28-23-11-21-10-22(13-23)14-24(28)12-21/h2-5,16,19-24,28,32H,6-15,17-18H2,1H3,(H,33,37)(H,34,36)/t19?,20?,21?,22?,23?,24?,28?,31-/m1/s1
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n/an/a 6.5n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against radioligand [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex

J Med Chem 41: 38-45 (1998)


Article DOI: 10.1021/jm970065l
BindingDB Entry DOI: 10.7270/Q2GT5NV6
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(MOUSE)		BDBM50063614
PNG
(CHEMBL8954 | N-(3-trifluoromethylphenyl)-2-[3,4-di...)
Show SMILES CC(C)Oc1cccc(c1)-n1c(NNC(=O)Nc2cccc(c2)C(F)(F)F)nc2ccccc2c1=O
Show InChI InChI=1S/C25H22F3N5O3/c1-15(2)36-19-10-6-9-18(14-19)33-22(34)20-11-3-4-12-21(20)30-23(33)31-32-24(35)29-17-8-5-7-16(13-17)25(26,27)28/h3-15H,1-2H3,(H,30,31)(H2,29,32,35)
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n/an/a 8n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Binding affinity towards Cholecystokinin type B receptor (CCK-B) receptor in mouse cerebral cortex using [125I]-Bolton Hunter CCK-8 as radioligand

J Med Chem 41: 1042-9 (1998)


Article DOI: 10.1021/jm970373j
BindingDB Entry DOI: 10.7270/Q2TQ60N3
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(MOUSE)		BDBM50063629
PNG
(3-[3-((R)-1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-b...)
Show SMILES COC(=O)c1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 |t:14|
Show InChI InChI=1S/C25H22N4O4/c1-29-20-14-7-6-13-19(20)21(16-9-4-3-5-10-16)27-22(23(29)30)28-25(32)26-18-12-8-11-17(15-18)24(31)33-2/h3-15,22H,1-2H3,(H2,26,28,32)/t22-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Binding affinity towards Cholecystokinin type B receptor (CCK-B) receptor in mouse cerebral cortex using [125I]-Bolton Hunter CCK-8 as radioligand

J Med Chem 41: 1042-9 (1998)


Article DOI: 10.1021/jm970373j
BindingDB Entry DOI: 10.7270/Q2TQ60N3
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(MOUSE)		BDBM50063662
PNG
(CHEMBL9534 | N-(3-Methoxy-phenyl)-N-[(methyl-pheny...)
Show SMILES COc1cccc(c1)N(CC(=O)N(C)c1ccccc1)C(=O)CNC(=O)Nc1cccc(C)c1
Show InChI InChI=1S/C26H28N4O4/c1-19-9-7-10-20(15-19)28-26(33)27-17-24(31)30(22-13-8-14-23(16-22)34-3)18-25(32)29(2)21-11-5-4-6-12-21/h4-16H,17-18H2,1-3H3,(H2,27,28,33)
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n/an/a 8n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Binding affinity towards Cholecystokinin type B receptor (CCK-B) receptor in mouse cerebral cortex using [125I]-Bolton Hunter CCK-8 as radioligand

J Med Chem 41: 1042-9 (1998)


Article DOI: 10.1021/jm970373j
BindingDB Entry DOI: 10.7270/Q2TQ60N3
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(MOUSE)		BDBM50289871
PNG
(CHEMBL262456 | N-{(R)-2-[2-(Adamantan-2-yloxycarbo...)
Show SMILES CC(Cc1c[nH]c2ccc(F)cc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@H](NC(=O)CCC(O)=O)c1ccccc1 |wU:31.36,TLB:19:20:17.18.23:24,16:17:24:20.26.21,THB:19:18:24:20.26.21,21:20:17:22.23.24,21:22:17:20.19.26,(2.64,-1.53,;2.65,-3.07,;3.06,-4.55,;2.65,-6.03,;1.61,-6.97,;1.9,-8.32,;3.23,-8.76,;3.51,-10.12,;4.84,-10.56,;5.88,-9.63,;7.2,-10.11,;5.59,-8.27,;4.27,-7.83,;1.32,-3.85,;-.02,-3.09,;-.04,-1.55,;-1.35,-3.88,;-2.69,-4.65,;-4.02,-3.86,;-5.34,-4.65,;-5.34,-6.19,;-6.16,-7.8,;-4.59,-7.52,;-4.59,-5.11,;-3.07,-7.95,;-2.69,-6.19,;-4.02,-6.94,;3.98,-3.83,;4,-5.37,;5.31,-3.04,;6.66,-3.81,;7.99,-3.02,;9.33,-3.78,;10.66,-3,;10.63,-1.46,;12,-3.74,;13.32,-2.97,;14.67,-3.72,;14.67,-5.26,;16,-2.95,;7.97,-1.48,;6.63,-.73,;6.62,.81,;7.95,1.6,;9.28,.83,;9.3,-.7,)|
Show InChI InChI=1S/C35H41FN4O6/c1-35(17-25-18-37-28-8-7-26(36)16-27(25)28,40-34(45)46-32-23-12-20-11-21(14-23)15-24(32)13-20)33(44)38-19-29(22-5-3-2-4-6-22)39-30(41)9-10-31(42)43/h2-8,16,18,20-21,23-24,29,32,37H,9-15,17,19H2,1H3,(H,38,44)(H,39,41)(H,40,45)(H,42,43)/t20?,21?,23?,24?,29-,32?,35?/m0/s1
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n/an/a 8.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]- Bolton-Hunter labeled CCK-8 to CCK-B receptor in the mouse cerebral cortex

Bioorg Med Chem Lett 7: 2009-2014 (1997)


Article DOI: 10.1016/S0960-894X(97)00356-9
BindingDB Entry DOI: 10.7270/Q2DJ5FM6
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(MOUSE)		BDBM50006878
PNG
((R)-1-(1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benz...)
Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2ccc(C)cc2)C1=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C24H22N4O2/c1-16-12-14-18(15-13-16)25-24(30)27-22-23(29)28(2)20-11-7-6-10-19(20)21(26-22)17-8-4-3-5-9-17/h3-15,22H,1-2H3,(H2,25,27,30)/t22-/m0/s1
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n/an/a 8.5n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Binding affinity towards Cholecystokinin type B receptor (CCK-B) receptor in mouse cerebral cortex using [125I]-Bolton Hunter CCK-8 as radioligand

J Med Chem 41: 1042-9 (1998)


Article DOI: 10.1021/jm970373j
BindingDB Entry DOI: 10.7270/Q2TQ60N3
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(MOUSE)		BDBM50006878
PNG
((R)-1-(1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benz...)
Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2ccc(C)cc2)C1=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C24H22N4O2/c1-16-12-14-18(15-13-16)25-24(30)27-22-23(29)28(2)20-11-7-6-10-19(20)21(26-22)17-8-4-3-5-9-17/h3-15,22H,1-2H3,(H2,25,27,30)/t22-/m0/s1
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n/an/a 8.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125 I]CCK-8 binding to Cholecystokinin type B receptor of mouse cerebral cortex

Bioorg Med Chem Lett 7: 805-810 (1997)


Article DOI: 10.1016/S0960-894X(97)00108-X
BindingDB Entry DOI: 10.7270/Q2XW4JTV
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(MOUSE)		BDBM50061990
PNG
((R)-3-[(R)-2-(Adamantan-2-yloxycarbonylamino)-3-(1...)
Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@@H](CC(O)=O)Cc1ccccc1 |wU:1.13,29.33,wD:1.0,TLB:15:16:18:21.22.20,THB:23:24:18:21.22.20,23:21:18:16.24.25,20:21:16:19.18.25,20:19:16:21.23.22,(10.8,-2.25,;10.81,-3.63,;10.9,-5.18,;12.26,-5.88,;11.02,-6.79,;11.49,-8.25,;13.03,-8.24,;14.06,-9.39,;15.56,-9.07,;16.04,-7.61,;15.01,-6.46,;13.52,-6.79,;9.43,-3.12,;8.15,-3.96,;8.17,-5.43,;6.76,-3.28,;5.47,-4.12,;5.46,-5.67,;4.44,-6.95,;3.04,-6.37,;1.53,-6.79,;2.74,-5.52,;4.05,-6.01,;2.72,-4.03,;4.08,-3.55,;3.02,-4.78,;12.1,-2.95,;12.07,-1.57,;13.48,-3.63,;14.76,-2.78,;14.67,-1.25,;15.43,.09,;14.65,1.43,;16.98,.11,;16.14,-3.47,;17.43,-2.62,;17.34,-1.25,;18.6,-.23,;20,-.92,;20.1,-2.46,;18.81,-3.31,)|
Show InChI InChI=1S/C33H39N3O5/c1-33(18-25-19-34-28-10-6-5-9-27(25)28,31(39)35-26(17-29(37)38)16-20-7-3-2-4-8-20)36-32(40)41-30-23-12-21-11-22(14-23)15-24(30)13-21/h2-10,19,21-24,26,30,34H,11-18H2,1H3,(H,35,39)(H,36,40)(H,37,38)/t21?,22?,23?,24?,26-,30?,33-/m1/s1
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n/an/a 9.30n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against radioligand [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex

J Med Chem 41: 38-45 (1998)


Article DOI: 10.1021/jm970065l
BindingDB Entry DOI: 10.7270/Q2GT5NV6
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(MOUSE)		BDBM50063641
PNG
(2-[2-(6-Bromo-1H-indol-3-yl)-ethyl]-3-(3-isopropox...)
Show SMILES CC(C)Oc1cccc(c1)-n1c(CCc2c[nH]c3cc(Br)ccc23)nc2ccccc2c1=O
Show InChI InChI=1S/C27H24BrN3O2/c1-17(2)33-21-7-5-6-20(15-21)31-26(30-24-9-4-3-8-23(24)27(31)32)13-10-18-16-29-25-14-19(28)11-12-22(18)25/h3-9,11-12,14-17,29H,10,13H2,1-2H3
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n/an/a 9.30n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Binding affinity towards Cholecystokinin type B receptor (CCK-B) receptor in mouse cerebral cortex using [125I]-Bolton Hunter CCK-8 as radioligand

J Med Chem 41: 1042-9 (1998)


Article DOI: 10.1021/jm970373j
BindingDB Entry DOI: 10.7270/Q2TQ60N3
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(MOUSE)		BDBM50006842
PNG
(2-[2-(5-Bromo-1H-indol-3-yl)-ethyl]-3-(3-isopropox...)
Show SMILES CC(C)Oc1cccc(c1)-n1c(CCc2c[nH]c3ccc(Br)cc23)nc2ccccc2c1=O
Show InChI InChI=1S/C27H24BrN3O2/c1-17(2)33-21-7-5-6-20(15-21)31-26(30-25-9-4-3-8-22(25)27(31)32)13-10-18-16-29-24-12-11-19(28)14-23(18)24/h3-9,11-12,14-17,29H,10,13H2,1-2H3
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n/an/a 9.30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125 I]CCK-8 binding to Cholecystokinin type B receptor of mouse cerebral cortex

Bioorg Med Chem Lett 7: 805-810 (1997)


Article DOI: 10.1016/S0960-894X(97)00108-X
BindingDB Entry DOI: 10.7270/Q2XW4JTV
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(MOUSE)		BDBM50063645
PNG
(CHEMBL9319 | N-(2-methoxyphenyl)-2-[3,4-dihydro-3-...)
Show SMILES COc1ccccc1NC(=O)NNc1nc2ccccc2c(=O)n1-c1cccc(OC(C)C)c1
Show InChI InChI=1S/C25H25N5O4/c1-16(2)34-18-10-8-9-17(15-18)30-23(31)19-11-4-5-12-20(19)26-24(30)28-29-25(32)27-21-13-6-7-14-22(21)33-3/h4-16H,1-3H3,(H,26,28)(H2,27,29,32)
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n/an/a 10n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Binding affinity towards Cholecystokinin type B receptor (CCK-B) receptor in mouse cerebral cortex using [125I]-Bolton Hunter CCK-8 as radioligand

J Med Chem 41: 1042-9 (1998)


Article DOI: 10.1021/jm970373j
BindingDB Entry DOI: 10.7270/Q2TQ60N3
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(MOUSE)		BDBM50063667
PNG
(CHEMBL266120 | N-(3-methylphenyl)-2-[3,4-dihydro-3...)
Show SMILES CC(C)Oc1cccc(c1)-n1c(NNC(=O)Nc2cccc(C)c2)nc2ccccc2c1=O
Show InChI InChI=1S/C25H25N5O3/c1-16(2)33-20-11-7-10-19(15-20)30-23(31)21-12-4-5-13-22(21)27-24(30)28-29-25(32)26-18-9-6-8-17(3)14-18/h4-16H,1-3H3,(H,27,28)(H2,26,29,32)
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n/an/a 11n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Binding affinity towards Cholecystokinin type B receptor (CCK-B) receptor in mouse cerebral cortex using [125I]-Bolton Hunter CCK-8 as radioligand

J Med Chem 41: 1042-9 (1998)


Article DOI: 10.1021/jm970373j
BindingDB Entry DOI: 10.7270/Q2TQ60N3
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(MOUSE)		BDBM50062008
PNG
(CHEMBL342932 | [(R)-1-(Azepan-1-ylcarbamoyl)-2-(1H...)
Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NN1CCCCCC1 |wU:1.13,wD:1.0,TLB:18:19:16.17.22:23,15:16:23:19.25.20,THB:18:17:23:19.25.20,20:21:16:19.18.25,20:19:16:21.22.23,(2.25,-7.79,;2.25,-9.16,;2.34,-10.7,;3.71,-11.41,;2.47,-12.32,;2.93,-13.79,;4.48,-13.79,;5.51,-14.93,;7.01,-14.61,;7.49,-13.14,;6.46,-12.01,;4.97,-12.32,;.87,-8.64,;-.41,-9.5,;-.39,-10.96,;-1.8,-8.81,;-3.09,-9.67,;-4.49,-9.09,;-5.84,-9.57,;-5.83,-11.05,;-7.04,-12.33,;-5.52,-11.91,;-5.54,-10.32,;-4.12,-12.48,;-3.1,-11.2,;-4.51,-11.55,;3.54,-8.48,;3.52,-7.1,;4.78,-9.22,;6.07,-8.36,;7.4,-9.16,;8.85,-8.6,;9.32,-7.14,;8.46,-5.85,;6.91,-5.72,;5.86,-6.84,)|
Show InChI InChI=1S/C29H40N4O3/c1-29(27(34)32-33-10-6-2-3-7-11-33,17-23-18-30-25-9-5-4-8-24(23)25)31-28(35)36-26-21-13-19-12-20(15-21)16-22(26)14-19/h4-5,8-9,18-22,26,30H,2-3,6-7,10-17H2,1H3,(H,31,35)(H,32,34)/t19?,20?,21?,22?,26?,29-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against radioligand [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex

J Med Chem 41: 38-45 (1998)


Article DOI: 10.1021/jm970065l
BindingDB Entry DOI: 10.7270/Q2GT5NV6
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(MOUSE)		BDBM50063652
PNG
(CHEMBL8997 | N-(4-chlorophenyl)-2-[3,4-dihydro-3-[...)
Show SMILES CC(C)Oc1cccc(c1)-n1c(NNC(=O)Nc2ccc(Cl)cc2)nc2ccccc2c1=O
Show InChI InChI=1S/C24H22ClN5O3/c1-15(2)33-19-7-5-6-18(14-19)30-22(31)20-8-3-4-9-21(20)27-23(30)28-29-24(32)26-17-12-10-16(25)11-13-17/h3-15H,1-2H3,(H,27,28)(H2,26,29,32)
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n/an/a 14n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Binding affinity towards Cholecystokinin type B receptor (CCK-B) receptor in mouse cerebral cortex using [125I]-Bolton Hunter CCK-8 as radioligand

J Med Chem 41: 1042-9 (1998)


Article DOI: 10.1021/jm970373j
BindingDB Entry DOI: 10.7270/Q2TQ60N3
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(MOUSE)		BDBM50063649
PNG
(CHEMBL9083 | N-(3-benzonitrile)-2-[3,4-dihydro-3-[...)
Show SMILES CN(C)c1cccc(c1)-n1c(NNC(=O)Nc2cccc(c2)C#N)nc2ccccc2c1=O
Show InChI InChI=1S/C24H21N7O2/c1-30(2)18-9-6-10-19(14-18)31-22(32)20-11-3-4-12-21(20)27-23(31)28-29-24(33)26-17-8-5-7-16(13-17)15-25/h3-14H,1-2H3,(H,27,28)(H2,26,29,33)
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n/an/a 14n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Binding affinity towards Cholecystokinin type B receptor (CCK-B) receptor in mouse cerebral cortex using [125I]-Bolton Hunter CCK-8 as radioligand

J Med Chem 41: 1042-9 (1998)


Article DOI: 10.1021/jm970373j
BindingDB Entry DOI: 10.7270/Q2TQ60N3
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(MOUSE)		BDBM50063639
PNG
(CHEMBL9524 | N-(3-ethylesterbenzoicacid)-2-[3,4-di...)
Show SMILES CCOC(=O)c1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C24H20ClN5O4/c1-2-34-22(32)15-6-5-7-17(14-15)26-24(33)29-28-23-27-20-9-4-3-8-19(20)21(31)30(23)18-12-10-16(25)11-13-18/h3-14H,2H2,1H3,(H,27,28)(H2,26,29,33)
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n/an/a 14n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Binding affinity towards Cholecystokinin type B receptor (CCK-B) receptor in mouse cerebral cortex using [125I]-Bolton Hunter CCK-8 as radioligand

J Med Chem 41: 1042-9 (1998)


Article DOI: 10.1021/jm970373j
BindingDB Entry DOI: 10.7270/Q2TQ60N3
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(MOUSE)		BDBM50454908
PNG
(CHEMBL2112795)
Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H]1CCCC[C@@H]1O |wU:34.40,wD:29.33,1.0,TLB:25:24:22:19.18.20,THB:25:19:16.24.23:22,20:21:16:19.18.25,20:19:16:21.23.22,15:16:22:19.18.20,(1.86,-7.02,;1.88,-8.39,;1.95,-9.94,;3.33,-10.64,;2.08,-11.55,;2.56,-13.03,;4.11,-13.02,;5.13,-14.17,;6.63,-13.85,;7.1,-12.37,;6.07,-11.24,;4.57,-11.55,;.49,-7.88,;-.8,-8.73,;-.77,-10.19,;-2.19,-8.04,;-3.48,-8.9,;-3.48,-10.43,;-4.89,-10.78,;-6.22,-10.29,;-7.41,-11.57,;-5.92,-11.15,;-4.51,-11.72,;-5.92,-9.55,;-4.87,-8.32,;-6.22,-8.8,;3.16,-7.71,;3.15,-6.33,;4.41,-8.44,;5.74,-7.68,;7.08,-8.44,;8.41,-7.69,;8.43,-6.14,;7.08,-5.37,;5.74,-6.13,;4.64,-5.03,)|
Show InChI InChI=1S/C29H39N3O4/c1-29(27(34)31-24-8-4-5-9-25(24)33,15-21-16-30-23-7-3-2-6-22(21)23)32-28(35)36-26-19-11-17-10-18(13-19)14-20(26)12-17/h2-3,6-7,16-20,24-26,30,33H,4-5,8-15H2,1H3,(H,31,34)(H,32,35)/t17?,18?,19?,20?,24-,25-,26?,29+/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against radioligand [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex

J Med Chem 41: 38-45 (1998)


Article DOI: 10.1021/jm970065l
BindingDB Entry DOI: 10.7270/Q2GT5NV6
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(MOUSE)		BDBM50063632
PNG
(CHEMBL9422 | N-(4-Bromophenyl)-2-[3,4-dihydro-3-[3...)
Show SMILES CC(C)Oc1cccc(c1)-n1c(NNC(=O)Nc2ccc(Br)cc2)nc2ccccc2c1=O
Show InChI InChI=1S/C24H22BrN5O3/c1-15(2)33-19-7-5-6-18(14-19)30-22(31)20-8-3-4-9-21(20)27-23(30)28-29-24(32)26-17-12-10-16(25)11-13-17/h3-15H,1-2H3,(H,27,28)(H2,26,29,32)
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n/an/a 14n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Binding affinity towards Cholecystokinin type B receptor (CCK-B) receptor in mouse cerebral cortex using [125I]-Bolton Hunter CCK-8 as radioligand

J Med Chem 41: 1042-9 (1998)


Article DOI: 10.1021/jm970373j
BindingDB Entry DOI: 10.7270/Q2TQ60N3
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(MOUSE)		BDBM50063627
PNG
(CHEMBL9354 | N-(3-ethylesterbenzoicacid)-2-[3,4-di...)
Show SMILES CCOC(=O)c1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2cccc(OC)c2)c1
Show InChI InChI=1S/C25H23N5O5/c1-3-35-23(32)16-8-6-9-17(14-16)26-25(33)29-28-24-27-21-13-5-4-12-20(21)22(31)30(24)18-10-7-11-19(15-18)34-2/h4-15H,3H2,1-2H3,(H,27,28)(H2,26,29,33)
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n/an/a 15n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Binding affinity towards Cholecystokinin type B receptor (CCK-B) receptor in mouse cerebral cortex using [125I]-Bolton Hunter CCK-8 as radioligand

J Med Chem 41: 1042-9 (1998)


Article DOI: 10.1021/jm970373j
BindingDB Entry DOI: 10.7270/Q2TQ60N3
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(MOUSE)		BDBM50063613
PNG
(CHEMBL9291 | N-phenyl-2-[3,4-dihydro-3-[3-(1-methy...)
Show SMILES CC(C)Oc1cccc(c1)-n1c(NNC(=O)Nc2ccccc2)nc2ccccc2c1=O
Show InChI InChI=1S/C24H23N5O3/c1-16(2)32-19-12-8-11-18(15-19)29-22(30)20-13-6-7-14-21(20)26-23(29)27-28-24(31)25-17-9-4-3-5-10-17/h3-16H,1-2H3,(H,26,27)(H2,25,28,31)
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n/an/a 15n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Binding affinity towards Cholecystokinin type B receptor (CCK-B) receptor in mouse cerebral cortex using [125I]-Bolton Hunter CCK-8 as radioligand

J Med Chem 41: 1042-9 (1998)


Article DOI: 10.1021/jm970373j
BindingDB Entry DOI: 10.7270/Q2TQ60N3
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(MOUSE)		BDBM50063626
PNG
(2-[2-(6-Bromo-1H-indol-3-yl)-ethyl]-3-(3-dimethyla...)
Show SMILES CN(C)c1cccc(c1)-n1c(CCc2c[nH]c3cc(Br)ccc23)nc2ccccc2c1=O
Show InChI InChI=1S/C26H23BrN4O/c1-30(2)19-6-5-7-20(15-19)31-25(29-23-9-4-3-8-22(23)26(31)32)13-10-17-16-28-24-14-18(27)11-12-21(17)24/h3-9,11-12,14-16,28H,10,13H2,1-2H3
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n/an/a 16n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Binding affinity towards Cholecystokinin type B receptor (CCK-B) receptor in mouse cerebral cortex using [125I]-Bolton Hunter CCK-8 as radioligand

J Med Chem 41: 1042-9 (1998)


Article DOI: 10.1021/jm970373j
BindingDB Entry DOI: 10.7270/Q2TQ60N3
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(MOUSE)		BDBM50062012
PNG
(CHEMBL344211 | [(R)-2-(1H-Indol-3-yl)-1-methyl-1-(...)
Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NN1CCCCC1 |wU:1.13,wD:1.0,TLB:18:19:16.17.22:23,15:16:23:19.25.20,THB:18:17:23:19.25.20,20:21:16:19.18.25,20:19:16:21.22.23,(2.25,-7.79,;2.25,-9.16,;2.34,-10.7,;3.71,-11.41,;2.47,-12.32,;2.93,-13.79,;4.48,-13.78,;5.51,-14.93,;7.01,-14.61,;7.49,-13.14,;6.46,-12.01,;4.97,-12.32,;.87,-8.64,;-.41,-9.5,;-.39,-10.96,;-1.8,-8.81,;-3.09,-9.67,;-4.49,-9.09,;-5.84,-9.57,;-5.83,-11.05,;-7.04,-12.33,;-5.52,-11.91,;-5.54,-10.32,;-4.12,-12.48,;-3.1,-11.19,;-4.51,-11.55,;3.54,-8.48,;3.52,-7.1,;4.78,-9.22,;6.07,-8.36,;5.97,-6.82,;7.26,-5.98,;8.64,-6.67,;8.74,-8.2,;7.45,-9.06,)|
Show InChI InChI=1S/C28H38N4O3/c1-28(26(33)31-32-9-5-2-6-10-32,16-22-17-29-24-8-4-3-7-23(22)24)30-27(34)35-25-20-12-18-11-19(14-20)15-21(25)13-18/h3-4,7-8,17-21,25,29H,2,5-6,9-16H2,1H3,(H,30,34)(H,31,33)/t18?,19?,20?,21?,25?,28-/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against radioligand [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex

J Med Chem 41: 38-45 (1998)


Article DOI: 10.1021/jm970065l
BindingDB Entry DOI: 10.7270/Q2GT5NV6
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(MOUSE)		BDBM50061999
PNG
(CHEMBL138952 | [(R)-1-(1-Benzyl-2-phenyl-ethylcarb...)
Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC(Cc1ccccc1)Cc1ccccc1 |wU:1.13,wD:1.0,TLB:25:24:22:19.18.20,THB:25:19:16.24.23:22,20:19:16:21.23.22,20:21:16:19.18.25,15:16:22:19.18.20,(-.04,-9,;-.02,-10.36,;.05,-11.9,;1.43,-12.61,;.17,-13.52,;.65,-14.99,;2.2,-14.98,;3.21,-16.13,;4.72,-15.81,;5.2,-14.34,;4.17,-13.21,;2.67,-13.52,;-1.42,-9.85,;-2.7,-10.7,;-2.68,-12.16,;-4.08,-10.01,;-5.37,-10.87,;-5.38,-12.4,;-6.78,-12.75,;-8.1,-12.26,;-9.3,-13.53,;-7.8,-13.11,;-6.4,-13.68,;-7.81,-11.52,;-6.77,-10.29,;-8.13,-10.77,;1.25,-9.68,;1.24,-8.3,;2.63,-10.38,;3.91,-9.52,;5.29,-10.21,;6.79,-9.8,;7.16,-8.33,;8.63,-7.91,;9.73,-9,;9.35,-10.48,;7.86,-10.89,;3.82,-7.98,;5.1,-7.13,;6.48,-7.81,;7.77,-6.97,;7.67,-5.43,;6.27,-4.74,;5,-5.59,)|
Show InChI InChI=1S/C38H43N3O3/c1-38(23-31-24-39-34-15-9-8-14-33(31)34,41-37(43)44-35-29-17-27-16-28(19-29)20-30(35)18-27)36(42)40-32(21-25-10-4-2-5-11-25)22-26-12-6-3-7-13-26/h2-15,24,27-30,32,35,39H,16-23H2,1H3,(H,40,42)(H,41,43)/t27?,28?,29?,30?,35?,38-/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against radioligand [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex

J Med Chem 41: 38-45 (1998)


Article DOI: 10.1021/jm970065l
BindingDB Entry DOI: 10.7270/Q2GT5NV6
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(MOUSE)		BDBM50063648
PNG
(CHEMBL8922 | N-(3-methoxyphenyl)-2-[3,4-dihydro-3-...)
Show SMILES COc1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2cccc(OC(C)C)c2)c1
Show InChI InChI=1S/C25H25N5O4/c1-16(2)34-20-11-7-9-18(15-20)30-23(31)21-12-4-5-13-22(21)27-24(30)28-29-25(32)26-17-8-6-10-19(14-17)33-3/h4-16H,1-3H3,(H,27,28)(H2,26,29,32)
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n/an/a 22n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Binding affinity towards Cholecystokinin type B receptor (CCK-B) receptor in mouse cerebral cortex using [125I]-Bolton Hunter CCK-8 as radioligand

J Med Chem 41: 1042-9 (1998)


Article DOI: 10.1021/jm970373j
BindingDB Entry DOI: 10.7270/Q2TQ60N3
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50063630
PNG
(CHEMBL9188 | N-(3-ethylesterbenzoicacid)-2-[3,4-di...)
Show SMILES CCOC(=O)c1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2cccc(OC(C)C)c2)c1
Show InChI InChI=1S/C27H27N5O5/c1-4-36-25(34)18-9-7-10-19(15-18)28-27(35)31-30-26-29-23-14-6-5-13-22(23)24(33)32(26)20-11-8-12-21(16-20)37-17(2)3/h5-17H,4H2,1-3H3,(H,29,30)(H2,28,31,35)
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n/an/a 22n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Compound was evaluated for functional activity on Cholecystokinin type B receptor (CCK-B) receptor carried out on guinea pig stomach cells.

J Med Chem 41: 1042-9 (1998)


Article DOI: 10.1021/jm970373j
BindingDB Entry DOI: 10.7270/Q2TQ60N3
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(MOUSE)		BDBM50063646
PNG
(3-[3-({(3-Methoxy-phenyl)-[(methyl-phenyl-carbamoy...)
Show SMILES COc1cccc(c1)N(CC(=O)N(C)c1ccccc1)C(=O)CNC(=O)Nc1cccc(c1)C(O)=O
Show InChI InChI=1S/C26H26N4O6/c1-29(20-10-4-3-5-11-20)24(32)17-30(21-12-7-13-22(15-21)36-2)23(31)16-27-26(35)28-19-9-6-8-18(14-19)25(33)34/h3-15H,16-17H2,1-2H3,(H,33,34)(H2,27,28,35)
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n/an/a 23n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Binding affinity towards Cholecystokinin type B receptor (CCK-B) receptor in mouse cerebral cortex using [125I]-Bolton Hunter CCK-8 as radioligand

J Med Chem 41: 1042-9 (1998)


Article DOI: 10.1021/jm970373j
BindingDB Entry DOI: 10.7270/Q2TQ60N3
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(MOUSE)		BDBM50063642
PNG
(CHEMBL9311 | N-(4-methoxyphenyl)-2-[3,4-dihydro-3-...)
Show SMILES COc1ccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2cccc(OC(C)C)c2)cc1
Show InChI InChI=1S/C25H25N5O4/c1-16(2)34-20-8-6-7-18(15-20)30-23(31)21-9-4-5-10-22(21)27-24(30)28-29-25(32)26-17-11-13-19(33-3)14-12-17/h4-16H,1-3H3,(H,27,28)(H2,26,29,32)
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n/an/a 25n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Binding affinity towards Cholecystokinin type B receptor (CCK-B) receptor in mouse cerebral cortex using [125I]-Bolton Hunter CCK-8 as radioligand

J Med Chem 41: 1042-9 (1998)


Article DOI: 10.1021/jm970373j
BindingDB Entry DOI: 10.7270/Q2TQ60N3
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50062005
PNG
((S)-3-[(R)-2-(Adamantan-2-yloxycarbonylamino)-3-(1...)
Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CC(O)=O)Cc1ccccc1 |wU:1.13,wD:29.33,1.0,TLB:15:16:18:21.22.20,THB:23:24:18:21.22.20,23:21:18:16.24.25,20:21:16:19.18.25,20:19:16:21.23.22,(10.8,-2.25,;10.81,-3.63,;10.9,-5.18,;12.26,-5.88,;11.02,-6.79,;11.49,-8.25,;13.03,-8.24,;14.06,-9.39,;15.56,-9.07,;16.04,-7.61,;15.01,-6.46,;13.52,-6.79,;9.43,-3.12,;8.15,-3.96,;8.17,-5.43,;6.76,-3.28,;5.47,-4.12,;5.46,-5.67,;4.44,-6.95,;3.04,-6.37,;1.53,-6.79,;2.74,-5.52,;4.05,-6.01,;2.72,-4.03,;4.08,-3.55,;3.02,-4.78,;12.1,-2.95,;12.07,-1.57,;13.48,-3.63,;14.76,-2.78,;14.67,-1.25,;15.43,.09,;14.65,1.43,;16.98,.11,;16.14,-3.47,;17.43,-2.62,;17.34,-1.25,;18.6,-.23,;20,-.92,;20.1,-2.46,;18.81,-3.31,)|
Show InChI InChI=1S/C33H39N3O5/c1-33(18-25-19-34-28-10-6-5-9-27(25)28,31(39)35-26(17-29(37)38)16-20-7-3-2-4-8-20)36-32(40)41-30-23-12-21-11-22(14-23)15-24(30)13-21/h2-10,19,21-24,26,30,34H,11-18H2,1H3,(H,35,39)(H,36,40)(H,37,38)/t21?,22?,23?,24?,26-,30?,33+/m0/s1
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n/an/a 26n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against radioligand [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type A receptor in the rat pancreas

J Med Chem 41: 38-45 (1998)


Article DOI: 10.1021/jm970065l
BindingDB Entry DOI: 10.7270/Q2GT5NV6
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(MOUSE)		BDBM50062015
PNG
(CHEMBL139601 | [(R)-1-((1S,2S)-2-Hydroxy-cyclohept...)
Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H]1CCCCC[C@@H]1O |wU:1.13,35.41,wD:29.33,1.0,TLB:25:24:22:19.18.20,THB:25:19:16.24.23:22,20:21:16:19.18.25,20:19:16:21.23.22,15:16:22:19.18.20,(10.61,-3.24,;10.63,-4.59,;10.7,-6.14,;12.08,-6.84,;10.84,-7.75,;11.31,-9.23,;12.86,-9.23,;13.89,-10.38,;15.38,-10.05,;15.85,-8.57,;14.82,-7.45,;13.32,-7.75,;9.25,-4.08,;7.97,-4.95,;7.99,-6.4,;6.56,-4.24,;5.27,-5.11,;5.27,-6.63,;3.87,-6.98,;2.54,-6.49,;1.34,-7.78,;2.84,-7.36,;4.24,-7.92,;2.84,-5.77,;3.89,-4.52,;2.54,-5.02,;11.92,-3.92,;11.9,-2.54,;13.16,-4.64,;14.49,-3.89,;15.78,-4.76,;17.26,-4.29,;17.82,-2.86,;17.05,-1.53,;15.52,-1.3,;14.38,-2.32,;12.95,-1.76,)|
Show InChI InChI=1S/C30H41N3O4/c1-30(16-22-17-31-24-8-6-5-7-23(22)24,28(35)32-25-9-3-2-4-10-26(25)34)33-29(36)37-27-20-12-18-11-19(14-20)15-21(27)13-18/h5-8,17-21,25-27,31,34H,2-4,9-16H2,1H3,(H,32,35)(H,33,36)/t18?,19?,20?,21?,25-,26-,27?,30+/m0/s1
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n/an/a 26n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against radioligand [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex

J Med Chem 41: 38-45 (1998)


Article DOI: 10.1021/jm970065l
BindingDB Entry DOI: 10.7270/Q2GT5NV6
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(MOUSE)		BDBM50063621
PNG
(CHEMBL9501 | N-(3-ethylesterbenzoicacid)-2-[3,4-di...)
Show SMILES CCOC(=O)c1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2cccc(F)c2)c1
Show InChI InChI=1S/C24H20FN5O4/c1-2-34-22(32)15-7-5-9-17(13-15)26-24(33)29-28-23-27-20-12-4-3-11-19(20)21(31)30(23)18-10-6-8-16(25)14-18/h3-14H,2H2,1H3,(H,27,28)(H2,26,29,33)
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n/an/a 26n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Binding affinity towards Cholecystokinin type B receptor (CCK-B) receptor in mouse cerebral cortex using [125I]-Bolton Hunter CCK-8 as radioligand

J Med Chem 41: 1042-9 (1998)


Article DOI: 10.1021/jm970373j
BindingDB Entry DOI: 10.7270/Q2TQ60N3
More data for this
Ligand-Target Pair
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