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Compile Data Set for Download or QSAR

Found 155 hits with Last Name = 'frigerio' and Initial = 's'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50048739
PNG
((S)-4-[5-(8-Aza-spiro[4.5]dec-8-yl)-4-(3,5-dichlor...)
Show SMILES OC(=O)CC[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)Nc1cccc2ccccc12
Show InChI InChI=1S/C36H40Cl2N4O6/c37-25-20-24(21-26(38)22-25)33(46)41-30(35(48)42-18-16-36(17-19-42)14-3-4-15-36)10-12-31(43)39-29(11-13-32(44)45)34(47)40-28-9-5-7-23-6-1-2-8-27(23)28/h1-2,5-9,20-22,29-30H,3-4,10-19H2,(H,39,43)(H,40,47)(H,41,46)(H,44,45)/t29-,30?/m0/s1
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n/an/a 7n/an/an/an/an/an/a



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Curated by ChEMBL


Assay Description
In vitro inhibition of gastrin-induced [Ca2+] cytosolic elevation in isolated rabbit parietal cells


J Med Chem 39: 135-42 (1996)


Article DOI: 10.1021/jm950372w
BindingDB Entry DOI: 10.7270/Q2BZ66P3
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50048774
PNG
((R)-2-{[5-(8-Aza-spiro[4.5]dec-8-yl)-4-(3,5-dichlo...)
Show SMILES CN([C@H](Cc1c[nH]c2ccccc12)C(O)=O)C(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1
Show InChI InChI=1S/C33H38Cl2N4O5/c1-38(28(32(43)44)18-22-20-36-26-7-3-2-6-25(22)26)29(40)9-8-27(37-30(41)21-16-23(34)19-24(35)17-21)31(42)39-14-12-33(13-15-39)10-4-5-11-33/h2-3,6-7,16-17,19-20,27-28,36H,4-5,8-15,18H2,1H3,(H,37,41)(H,43,44)/t27?,28-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



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Curated by ChEMBL


Assay Description
In vitro inhibition of gastrin-induced [Ca2+] cytosolic elevation in isolated rabbit parietal cells


J Med Chem 39: 135-42 (1996)


Article DOI: 10.1021/jm950372w
BindingDB Entry DOI: 10.7270/Q2BZ66P3
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50048724
PNG
((S)-4-[5-(8-Aza-spiro[4.5]dec-8-yl)-4-(3,5-dichlor...)
Show SMILES OC(=O)CC[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)NC1CCCc2ccccc12
Show InChI InChI=1S/C36H44Cl2N4O6/c37-25-20-24(21-26(38)22-25)33(46)41-30(35(48)42-18-16-36(17-19-42)14-3-4-15-36)10-12-31(43)39-29(11-13-32(44)45)34(47)40-28-9-5-7-23-6-1-2-8-27(23)28/h1-2,6,8,20-22,28-30H,3-5,7,9-19H2,(H,39,43)(H,40,47)(H,41,46)(H,44,45)/t28?,29-,30?/m0/s1
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n/an/a 9n/an/an/an/an/an/a



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Curated by ChEMBL


Assay Description
In vitro inhibition of gastrin-induced [Ca2+] cytosolic elevation in isolated rabbit parietal cells


J Med Chem 39: 135-42 (1996)


Article DOI: 10.1021/jm950372w
BindingDB Entry DOI: 10.7270/Q2BZ66P3
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50048725
PNG
((R)-3-[5-(8-Aza-spiro[4.5]dec-8-yl)-4-(3,5-dichlor...)
Show SMILES CN(Cc1ccccc1)C(=O)[C@@H](CC(O)=O)NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1
Show InChI InChI=1S/C33H40Cl2N4O6/c1-38(21-22-7-3-2-4-8-22)31(44)27(20-29(41)42)36-28(40)10-9-26(37-30(43)23-17-24(34)19-25(35)18-23)32(45)39-15-13-33(14-16-39)11-5-6-12-33/h2-4,7-8,17-19,26-27H,5-6,9-16,20-21H2,1H3,(H,36,40)(H,37,43)(H,41,42)/t26?,27-/m1/s1
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n/an/a 9n/an/an/an/an/an/a



Rotta Research Laboratorium

Curated by ChEMBL


Assay Description
In vitro inhibition of gastrin-induced [Ca2+] cytosolic elevation in isolated rabbit parietal cells


J Med Chem 39: 135-42 (1996)


Article DOI: 10.1021/jm950372w
BindingDB Entry DOI: 10.7270/Q2BZ66P3
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50048726
PNG
((R)-2-[5-(8-Aza-spiro[4.5]dec-8-yl)-4-(3,5-dichlor...)
Show SMILES OC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1
Show InChI InChI=1S/C32H36Cl2N4O5/c33-22-15-20(16-23(34)18-22)29(40)37-26(30(41)38-13-11-32(12-14-38)9-3-4-10-32)7-8-28(39)36-27(31(42)43)17-21-19-35-25-6-2-1-5-24(21)25/h1-2,5-6,15-16,18-19,26-27,35H,3-4,7-14,17H2,(H,36,39)(H,37,40)(H,42,43)/t26?,27-/m1/s1
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n/an/a 9n/an/an/an/an/an/a



Rotta Research Laboratorium

Curated by ChEMBL


Assay Description
In vitro inhibition of gastrin-induced [Ca2+] cytosolic elevation in isolated rabbit parietal cells


J Med Chem 39: 135-42 (1996)


Article DOI: 10.1021/jm950372w
BindingDB Entry DOI: 10.7270/Q2BZ66P3
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50048781
PNG
((S)-4-[5-(8-Aza-spiro[4.5]dec-8-yl)-4-(3,5-dichlor...)
Show SMILES OC(=O)CC[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)NCc1cccc2ccccc12
Show InChI InChI=1S/C37H42Cl2N4O6/c38-27-20-26(21-28(39)22-27)34(47)42-31(36(49)43-18-16-37(17-19-43)14-3-4-15-37)10-12-32(44)41-30(11-13-33(45)46)35(48)40-23-25-8-5-7-24-6-1-2-9-29(24)25/h1-2,5-9,20-22,30-31H,3-4,10-19,23H2,(H,40,48)(H,41,44)(H,42,47)(H,45,46)/t30-,31?/m0/s1
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n/an/a 9n/an/an/an/an/an/a



Rotta Research Laboratorium

Curated by ChEMBL


Assay Description
In vitro inhibition of gastrin-induced [Ca2+] cytosolic elevation in isolated rabbit parietal cells


J Med Chem 39: 135-42 (1996)


Article DOI: 10.1021/jm950372w
BindingDB Entry DOI: 10.7270/Q2BZ66P3
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50048787
PNG
((R)-2-[5-(8-Aza-spiro[4.5]dec-8-yl)-4-(3,5-dichlor...)
Show SMILES OC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1
Show InChI InChI=1S/C34H37Cl2N3O5/c35-25-18-24(19-26(36)21-25)31(41)38-28(32(42)39-16-14-34(15-17-39)12-3-4-13-34)10-11-30(40)37-29(33(43)44)20-23-8-5-7-22-6-1-2-9-27(22)23/h1-2,5-9,18-19,21,28-29H,3-4,10-17,20H2,(H,37,40)(H,38,41)(H,43,44)/t28?,29-/m1/s1
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n/an/a 9n/an/an/an/an/an/a



Rotta Research Laboratorium

Curated by ChEMBL


Assay Description
In vitro inhibition of gastrin-induced [Ca2+] cytosolic elevation in isolated rabbit parietal cells


J Med Chem 39: 135-42 (1996)


Article DOI: 10.1021/jm950372w
BindingDB Entry DOI: 10.7270/Q2BZ66P3
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50048777
PNG
((S)-2-[5-(8-Aza-spiro[4.5]dec-8-yl)-4-(3,5-dichlor...)
Show SMILES OC(=O)[C@H](CCC(=O)Nc1cccc2ccccc12)NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1
Show InChI InChI=1S/C36H40Cl2N4O6/c37-25-20-24(21-26(38)22-25)33(45)41-29(34(46)42-18-16-36(17-19-42)14-3-4-15-36)10-12-32(44)40-30(35(47)48)11-13-31(43)39-28-9-5-7-23-6-1-2-8-27(23)28/h1-2,5-9,20-22,29-30H,3-4,10-19H2,(H,39,43)(H,40,44)(H,41,45)(H,47,48)/t29?,30-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Rotta Research Laboratorium

Curated by ChEMBL


Assay Description
In vitro inhibition of gastrin-induced [Ca2+] cytosolic elevation in isolated rabbit parietal cells


J Med Chem 39: 135-42 (1996)


Article DOI: 10.1021/jm950372w
BindingDB Entry DOI: 10.7270/Q2BZ66P3
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50048797
PNG
(2-[5-(8-Aza-spiro[4.5]dec-8-yl)-4-(3,5-dichloro-be...)
Show SMILES OC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1
Show InChI InChI=1S/C32H36Cl2N4O5/c33-22-15-20(16-23(34)18-22)29(40)37-26(30(41)38-13-11-32(12-14-38)9-3-4-10-32)7-8-28(39)36-27(31(42)43)17-21-19-35-25-6-2-1-5-24(21)25/h1-2,5-6,15-16,18-19,26-27,35H,3-4,7-14,17H2,(H,36,39)(H,37,40)(H,42,43)
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n/an/a 12n/an/an/an/an/an/a



Rotta Research Laboratorium

Curated by ChEMBL


Assay Description
In vitro inhibition of gastrin-induced [Ca2+] cytosolic elevation in isolated rabbit parietal cells


J Med Chem 39: 135-42 (1996)


Article DOI: 10.1021/jm950372w
BindingDB Entry DOI: 10.7270/Q2BZ66P3
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50048738
PNG
(3-[5-(8-Aza-spiro[4.5]dec-8-yl)-4-(3,5-dichloro-be...)
Show SMILES OC(=O)CC(Cc1c[nH]c2ccccc12)NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1
Show InChI InChI=1S/C33H38Cl2N4O5/c34-23-15-21(16-24(35)18-23)31(43)38-28(32(44)39-13-11-33(12-14-39)9-3-4-10-33)7-8-29(40)37-25(19-30(41)42)17-22-20-36-27-6-2-1-5-26(22)27/h1-2,5-6,15-16,18,20,25,28,36H,3-4,7-14,17,19H2,(H,37,40)(H,38,43)(H,41,42)
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n/an/a 13n/an/an/an/an/an/a



Rotta Research Laboratorium

Curated by ChEMBL


Assay Description
In vitro inhibition of gastrin-induced [Ca2+] cytosolic elevation in isolated rabbit parietal cells


J Med Chem 39: 135-42 (1996)


Article DOI: 10.1021/jm950372w
BindingDB Entry DOI: 10.7270/Q2BZ66P3
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50048748
PNG
((S)-4-[5-(8-Aza-spiro[4.5]dec-8-yl)-4-(3,5-dichlor...)
Show SMILES CN(C(=O)[C@H](CCC(O)=O)NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)c1cccc2ccccc12
Show InChI InChI=1S/C37H42Cl2N4O6/c1-42(31-10-6-8-24-7-2-3-9-28(24)31)35(48)29(12-14-33(45)46)40-32(44)13-11-30(41-34(47)25-21-26(38)23-27(39)22-25)36(49)43-19-17-37(18-20-43)15-4-5-16-37/h2-3,6-10,21-23,29-30H,4-5,11-20H2,1H3,(H,40,44)(H,41,47)(H,45,46)/t29-,30?/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Rotta Research Laboratorium

Curated by ChEMBL


Assay Description
In vitro inhibition of gastrin-induced [Ca2+] cytosolic elevation in isolated rabbit parietal cells


J Med Chem 39: 135-42 (1996)


Article DOI: 10.1021/jm950372w
BindingDB Entry DOI: 10.7270/Q2BZ66P3
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50048780
PNG
((S)-4-[5-(8-Aza-spiro[4.5]dec-8-yl)-4-(3,5-dichlor...)
Show SMILES OC(=O)CC[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)Nc1cccc2CCCCc12
Show InChI InChI=1S/C36H44Cl2N4O6/c37-25-20-24(21-26(38)22-25)33(46)41-30(35(48)42-18-16-36(17-19-42)14-3-4-15-36)10-12-31(43)39-29(11-13-32(44)45)34(47)40-28-9-5-7-23-6-1-2-8-27(23)28/h5,7,9,20-22,29-30H,1-4,6,8,10-19H2,(H,39,43)(H,40,47)(H,41,46)(H,44,45)/t29-,30?/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Rotta Research Laboratorium

Curated by ChEMBL


Assay Description
In vitro inhibition of gastrin-induced [Ca2+] cytosolic elevation in isolated rabbit parietal cells


J Med Chem 39: 135-42 (1996)


Article DOI: 10.1021/jm950372w
BindingDB Entry DOI: 10.7270/Q2BZ66P3
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50048742
PNG
((R)-4-[5-(8-Aza-spiro[4.5]dec-8-yl)-4-(3,5-dichlor...)
Show SMILES OC(=O)CC[C@@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)Nc1cccc2ccccc12
Show InChI InChI=1S/C36H40Cl2N4O6/c37-25-20-24(21-26(38)22-25)33(46)41-30(35(48)42-18-16-36(17-19-42)14-3-4-15-36)10-12-31(43)39-29(11-13-32(44)45)34(47)40-28-9-5-7-23-6-1-2-8-27(23)28/h1-2,5-9,20-22,29-30H,3-4,10-19H2,(H,39,43)(H,40,47)(H,41,46)(H,44,45)/t29-,30?/m1/s1
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n/an/a 17n/an/an/an/an/an/a



Rotta Research Laboratorium

Curated by ChEMBL


Assay Description
In vitro inhibition of gastrin-induced [Ca2+] cytosolic elevation in isolated rabbit parietal cells


J Med Chem 39: 135-42 (1996)


Article DOI: 10.1021/jm950372w
BindingDB Entry DOI: 10.7270/Q2BZ66P3
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50048788
PNG
((S)-3-[5-(8-Aza-spiro[4.5]dec-8-yl)-4-(3,5-dichlor...)
Show SMILES OC(=O)C[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)Nc1cccc2ccccc12
Show InChI InChI=1S/C35H38Cl2N4O6/c36-24-18-23(19-25(37)20-24)32(45)40-28(34(47)41-16-14-35(15-17-41)12-3-4-13-35)10-11-30(42)38-29(21-31(43)44)33(46)39-27-9-5-7-22-6-1-2-8-26(22)27/h1-2,5-9,18-20,28-29H,3-4,10-17,21H2,(H,38,42)(H,39,46)(H,40,45)(H,43,44)/t28?,29-/m0/s1
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n/an/a 19n/an/an/an/an/an/a



Rotta Research Laboratorium

Curated by ChEMBL


Assay Description
In vitro inhibition of gastrin-induced [Ca2+] cytosolic elevation in isolated rabbit parietal cells


J Med Chem 39: 135-42 (1996)


Article DOI: 10.1021/jm950372w
BindingDB Entry DOI: 10.7270/Q2BZ66P3
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50048739
PNG
((S)-4-[5-(8-Aza-spiro[4.5]dec-8-yl)-4-(3,5-dichlor...)
Show SMILES OC(=O)CC[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)Nc1cccc2ccccc12
Show InChI InChI=1S/C36H40Cl2N4O6/c37-25-20-24(21-26(38)22-25)33(46)41-30(35(48)42-18-16-36(17-19-42)14-3-4-15-36)10-12-31(43)39-29(11-13-32(44)45)34(47)40-28-9-5-7-23-6-1-2-8-27(23)28/h1-2,5-9,20-22,29-30H,3-4,10-19H2,(H,39,43)(H,40,47)(H,41,46)(H,44,45)/t29-,30?/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Rotta Research Laboratorium

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]N-Me-N-Leu-CCK-8 to cholecystokinin type B receptor in guinea pig brain cortex


J Med Chem 39: 135-42 (1996)


Article DOI: 10.1021/jm950372w
BindingDB Entry DOI: 10.7270/Q2BZ66P3
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50048767
PNG
((S)-2-[5-(8-Aza-spiro[4.5]dec-8-yl)-4-(3,5-dichlor...)
Show SMILES OC(=O)[C@H](CC(=O)Nc1cccc2ccccc12)NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1
Show InChI InChI=1S/C35H38Cl2N4O6/c36-24-18-23(19-25(37)20-24)32(44)40-28(33(45)41-16-14-35(15-17-41)12-3-4-13-35)10-11-30(42)39-29(34(46)47)21-31(43)38-27-9-5-7-22-6-1-2-8-26(22)27/h1-2,5-9,18-20,28-29H,3-4,10-17,21H2,(H,38,43)(H,39,42)(H,40,44)(H,46,47)/t28?,29-/m0/s1
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n/an/a 23n/an/an/an/an/an/a



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Curated by ChEMBL


Assay Description
In vitro inhibition of gastrin-induced [Ca2+] cytosolic elevation in isolated rabbit parietal cells


J Med Chem 39: 135-42 (1996)


Article DOI: 10.1021/jm950372w
BindingDB Entry DOI: 10.7270/Q2BZ66P3
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50048783
PNG
((R)-2-[5-(8-Aza-spiro[4.5]dec-8-yl)-4-(3,5-dichlor...)
Show SMILES OC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1
Show InChI InChI=1S/C34H37Cl2N3O5/c35-26-19-25(20-27(36)21-26)31(41)38-28(32(42)39-15-13-34(14-16-39)11-3-4-12-34)9-10-30(40)37-29(33(43)44)18-22-7-8-23-5-1-2-6-24(23)17-22/h1-2,5-8,17,19-21,28-29H,3-4,9-16,18H2,(H,37,40)(H,38,41)(H,43,44)/t28?,29-/m1/s1
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n/an/a 24n/an/an/an/an/an/a



Rotta Research Laboratorium

Curated by ChEMBL


Assay Description
In vitro inhibition of gastrin-induced [Ca2+] cytosolic elevation in isolated rabbit parietal cells


J Med Chem 39: 135-42 (1996)


Article DOI: 10.1021/jm950372w
BindingDB Entry DOI: 10.7270/Q2BZ66P3
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50048758
PNG
((S)-4-[5-(8-Aza-spiro[4.5]dec-8-yl)-4-(3,5-dichlor...)
Show SMILES CN(Cc1ccccc1)C(=O)[C@H](CCC(O)=O)NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1
Show InChI InChI=1S/C34H42Cl2N4O6/c1-39(22-23-7-3-2-4-8-23)32(45)27(10-12-30(42)43)37-29(41)11-9-28(38-31(44)24-19-25(35)21-26(36)20-24)33(46)40-17-15-34(16-18-40)13-5-6-14-34/h2-4,7-8,19-21,27-28H,5-6,9-18,22H2,1H3,(H,37,41)(H,38,44)(H,42,43)/t27-,28?/m0/s1
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n/an/a 24n/an/an/an/an/an/a



Rotta Research Laboratorium

Curated by ChEMBL


Assay Description
In vitro inhibition of gastrin-induced [Ca2+] cytosolic elevation in isolated rabbit parietal cells


J Med Chem 39: 135-42 (1996)


Article DOI: 10.1021/jm950372w
BindingDB Entry DOI: 10.7270/Q2BZ66P3
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50048743
PNG
((S)-4-[5-(8-Aza-spiro[4.5]dec-8-yl)-4-(3,5-dichlor...)
Show SMILES OC(=O)CC[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)N1CCCc2ccccc12
Show InChI InChI=1S/C35H42Cl2N4O6/c36-25-20-24(21-26(37)22-25)32(45)39-27(33(46)40-18-15-35(16-19-40)13-3-4-14-35)9-11-30(42)38-28(10-12-31(43)44)34(47)41-17-5-7-23-6-1-2-8-29(23)41/h1-2,6,8,20-22,27-28H,3-5,7,9-19H2,(H,38,42)(H,39,45)(H,43,44)/t27?,28-/m0/s1
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n/an/a 25n/an/an/an/an/an/a



Rotta Research Laboratorium

Curated by ChEMBL


Assay Description
In vitro inhibition of gastrin-induced [Ca2+] cytosolic elevation in isolated rabbit parietal cells


J Med Chem 39: 135-42 (1996)


Article DOI: 10.1021/jm950372w
BindingDB Entry DOI: 10.7270/Q2BZ66P3
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50048751
PNG
((S)-4-[5-(8-Aza-spiro[4.5]dec-8-yl)-4-(3,5-dichlor...)
Show SMILES OC(=O)CC[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)N1CCc2ccccc12
Show InChI InChI=1S/C34H40Cl2N4O6/c35-24-19-23(20-25(36)21-24)31(44)38-26(32(45)39-17-14-34(15-18-39)12-3-4-13-34)7-9-29(41)37-27(8-10-30(42)43)33(46)40-16-11-22-5-1-2-6-28(22)40/h1-2,5-6,19-21,26-27H,3-4,7-18H2,(H,37,41)(H,38,44)(H,42,43)/t26?,27-/m0/s1
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n/an/a 26n/an/an/an/an/an/a



Rotta Research Laboratorium

Curated by ChEMBL


Assay Description
In vitro inhibition of gastrin-induced [Ca2+] cytosolic elevation in isolated rabbit parietal cells


J Med Chem 39: 135-42 (1996)


Article DOI: 10.1021/jm950372w
BindingDB Entry DOI: 10.7270/Q2BZ66P3
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50048790
PNG
((S)-3-[5-(8-Aza-spiro[4.5]dec-8-yl)-4-(3,5-dichlor...)
Show SMILES CN(Cc1ccccc1)C(=O)[C@H](CC(O)=O)NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1
Show InChI InChI=1S/C33H40Cl2N4O6/c1-38(21-22-7-3-2-4-8-22)31(44)27(20-29(41)42)36-28(40)10-9-26(37-30(43)23-17-24(34)19-25(35)18-23)32(45)39-15-13-33(14-16-39)11-5-6-12-33/h2-4,7-8,17-19,26-27H,5-6,9-16,20-21H2,1H3,(H,36,40)(H,37,43)(H,41,42)/t26?,27-/m0/s1
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n/an/a 27n/an/an/an/an/an/a



Rotta Research Laboratorium

Curated by ChEMBL


Assay Description
In vitro inhibition of gastrin-induced [Ca2+] cytosolic elevation in isolated rabbit parietal cells


J Med Chem 39: 135-42 (1996)


Article DOI: 10.1021/jm950372w
BindingDB Entry DOI: 10.7270/Q2BZ66P3
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50048734
PNG
((S)-4-[5-(8-Aza-spiro[4.5]dec-8-yl)-4-(3,5-dichlor...)
Show SMILES OC(=O)CC[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)N1CCC2CCCCC2C1
Show InChI InChI=1S/C35H48Cl2N4O6/c36-26-19-25(20-27(37)21-26)32(45)39-29(33(46)40-17-14-35(15-18-40)12-3-4-13-35)7-9-30(42)38-28(8-10-31(43)44)34(47)41-16-11-23-5-1-2-6-24(23)22-41/h19-21,23-24,28-29H,1-18,22H2,(H,38,42)(H,39,45)(H,43,44)/t23?,24?,28-,29?/m0/s1
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n/an/a 28n/an/an/an/an/an/a



Rotta Research Laboratorium

Curated by ChEMBL


Assay Description
In vitro inhibition of gastrin-induced [Ca2+] cytosolic elevation in isolated rabbit parietal cells


J Med Chem 39: 135-42 (1996)


Article DOI: 10.1021/jm950372w
BindingDB Entry DOI: 10.7270/Q2BZ66P3
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50048770
PNG
((R)-3-[5-(8-Aza-spiro[4.5]dec-8-yl)-4-(3,5-dichlor...)
Show SMILES OC(=O)C[C@@H](Cc1ccccc1)NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1
Show InChI InChI=1S/C31H37Cl2N3O5/c32-23-17-22(18-24(33)19-23)29(40)35-26(30(41)36-14-12-31(13-15-36)10-4-5-11-31)8-9-27(37)34-25(20-28(38)39)16-21-6-2-1-3-7-21/h1-3,6-7,17-19,25-26H,4-5,8-16,20H2,(H,34,37)(H,35,40)(H,38,39)/t25-,26?/m1/s1
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n/an/a 31n/an/an/an/an/an/a



Rotta Research Laboratorium

Curated by ChEMBL


Assay Description
In vitro inhibition of gastrin-induced [Ca2+] cytosolic elevation in isolated rabbit parietal cells


J Med Chem 39: 135-42 (1996)


Article DOI: 10.1021/jm950372w
BindingDB Entry DOI: 10.7270/Q2BZ66P3
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50048775
PNG
((R)-4-[5-(8-Aza-spiro[4.5]dec-8-yl)-4-(3,5-dichlor...)
Show SMILES OC(=O)CC[C@@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)Nc1ccc2ccccc2c1
Show InChI InChI=1S/C36H40Cl2N4O6/c37-26-19-25(20-27(38)22-26)33(46)41-30(35(48)42-17-15-36(16-18-42)13-3-4-14-36)9-11-31(43)40-29(10-12-32(44)45)34(47)39-28-8-7-23-5-1-2-6-24(23)21-28/h1-2,5-8,19-22,29-30H,3-4,9-18H2,(H,39,47)(H,40,43)(H,41,46)(H,44,45)/t29-,30?/m1/s1
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n/an/a 32n/an/an/an/an/an/a



Rotta Research Laboratorium

Curated by ChEMBL


Assay Description
In vitro inhibition of gastrin-induced [Ca2+] cytosolic elevation in isolated rabbit parietal cells


J Med Chem 39: 135-42 (1996)


Article DOI: 10.1021/jm950372w
BindingDB Entry DOI: 10.7270/Q2BZ66P3
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50048745
PNG
((S)-2-[5-(8-Aza-spiro[4.5]dec-8-yl)-4-(3,5-dichlor...)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1
Show InChI InChI=1S/C32H36Cl2N4O5/c33-22-15-20(16-23(34)18-22)29(40)37-26(30(41)38-13-11-32(12-14-38)9-3-4-10-32)7-8-28(39)36-27(31(42)43)17-21-19-35-25-6-2-1-5-24(21)25/h1-2,5-6,15-16,18-19,26-27,35H,3-4,7-14,17H2,(H,36,39)(H,37,40)(H,42,43)/t26?,27-/m0/s1
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n/an/a 35n/an/an/an/an/an/a



Rotta Research Laboratorium

Curated by ChEMBL


Assay Description
In vitro inhibition of gastrin-induced [Ca2+] cytosolic elevation in isolated rabbit parietal cells


J Med Chem 39: 135-42 (1996)


Article DOI: 10.1021/jm950372w
BindingDB Entry DOI: 10.7270/Q2BZ66P3
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50048735
PNG
((R)-2-[5-(8-Aza-spiro[4.5]dec-8-yl)-4-(3,5-dichlor...)
Show SMILES OC(=O)[C@@H](Cc1ccccc1)NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1
Show InChI InChI=1S/C30H35Cl2N3O5/c31-22-17-21(18-23(32)19-22)27(37)34-24(28(38)35-14-12-30(13-15-35)10-4-5-11-30)8-9-26(36)33-25(29(39)40)16-20-6-2-1-3-7-20/h1-3,6-7,17-19,24-25H,4-5,8-16H2,(H,33,36)(H,34,37)(H,39,40)/t24?,25-/m1/s1
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n/an/a 36n/an/an/an/an/an/a



Rotta Research Laboratorium

Curated by ChEMBL


Assay Description
In vitro inhibition of gastrin-induced [Ca2+] cytosolic elevation in isolated rabbit parietal cells


J Med Chem 39: 135-42 (1996)


Article DOI: 10.1021/jm950372w
BindingDB Entry DOI: 10.7270/Q2BZ66P3
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50048773
PNG
((R)-4-[5-(8-Aza-spiro[4.5]dec-8-yl)-4-(3,5-dichlor...)
Show SMILES CN(Cc1ccccc1)C(=O)[C@@H](CCC(O)=O)NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1
Show InChI InChI=1S/C34H42Cl2N4O6/c1-39(22-23-7-3-2-4-8-23)32(45)27(10-12-30(42)43)37-29(41)11-9-28(38-31(44)24-19-25(35)21-26(36)20-24)33(46)40-17-15-34(16-18-40)13-5-6-14-34/h2-4,7-8,19-21,27-28H,5-6,9-18,22H2,1H3,(H,37,41)(H,38,44)(H,42,43)/t27-,28?/m1/s1
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n/an/a 37n/an/an/an/an/an/a



Rotta Research Laboratorium

Curated by ChEMBL


Assay Description
In vitro inhibition of gastrin-induced [Ca2+] cytosolic elevation in isolated rabbit parietal cells


J Med Chem 39: 135-42 (1996)


Article DOI: 10.1021/jm950372w
BindingDB Entry DOI: 10.7270/Q2BZ66P3
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50048776
PNG
((S)-5-(8-Aza-spiro[4.5]dec-8-yl)-4-[5-(8-aza-spiro...)
Show SMILES OC(=O)CC[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)N1CCC2(CCCC2)CC1
Show InChI InChI=1S/C35H48Cl2N4O6/c36-25-21-24(22-26(37)23-25)31(45)39-28(33(47)41-19-15-35(16-20-41)11-3-4-12-35)5-7-29(42)38-27(6-8-30(43)44)32(46)40-17-13-34(14-18-40)9-1-2-10-34/h21-23,27-28H,1-20H2,(H,38,42)(H,39,45)(H,43,44)/t27-,28?/m0/s1
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n/an/a 37n/an/an/an/an/an/a



Rotta Research Laboratorium

Curated by ChEMBL


Assay Description
In vitro inhibition of gastrin-induced [Ca2+] cytosolic elevation in isolated rabbit parietal cells


J Med Chem 39: 135-42 (1996)


Article DOI: 10.1021/jm950372w
BindingDB Entry DOI: 10.7270/Q2BZ66P3
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50048756
PNG
((R)-4-[5-(8-Aza-spiro[4.5]dec-8-yl)-4-(3,5-dichlor...)
Show SMILES OC(=O)CC[C@@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C33H40Cl2N4O6/c34-24-18-23(19-25(35)20-24)30(43)38-27(32(45)39-16-14-33(15-17-39)12-4-5-13-33)8-10-28(40)37-26(9-11-29(41)42)31(44)36-21-22-6-2-1-3-7-22/h1-3,6-7,18-20,26-27H,4-5,8-17,21H2,(H,36,44)(H,37,40)(H,38,43)(H,41,42)/t26-,27?/m1/s1
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n/an/a 38n/an/an/an/an/an/a



Rotta Research Laboratorium

Curated by ChEMBL


Assay Description
In vitro inhibition of gastrin-induced [Ca2+] cytosolic elevation in isolated rabbit parietal cells


J Med Chem 39: 135-42 (1996)


Article DOI: 10.1021/jm950372w
BindingDB Entry DOI: 10.7270/Q2BZ66P3
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50048790
PNG
((S)-3-[5-(8-Aza-spiro[4.5]dec-8-yl)-4-(3,5-dichlor...)
Show SMILES CN(Cc1ccccc1)C(=O)[C@H](CC(O)=O)NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1
Show InChI InChI=1S/C33H40Cl2N4O6/c1-38(21-22-7-3-2-4-8-22)31(44)27(20-29(41)42)36-28(40)10-9-26(37-30(43)23-17-24(34)19-25(35)18-23)32(45)39-15-13-33(14-16-39)11-5-6-12-33/h2-4,7-8,17-19,26-27H,5-6,9-16,20-21H2,1H3,(H,36,40)(H,37,43)(H,41,42)/t26?,27-/m0/s1
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n/an/a 39n/an/an/an/an/an/a



Rotta Research Laboratorium

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]N-Me-N-Leu-CCK-8 to cholecystokinin type B receptor in guinea pig brain cortex


J Med Chem 39: 135-42 (1996)


Article DOI: 10.1021/jm950372w
BindingDB Entry DOI: 10.7270/Q2BZ66P3
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50048726
PNG
((R)-2-[5-(8-Aza-spiro[4.5]dec-8-yl)-4-(3,5-dichlor...)
Show SMILES OC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1
Show InChI InChI=1S/C32H36Cl2N4O5/c33-22-15-20(16-23(34)18-22)29(40)37-26(30(41)38-13-11-32(12-14-38)9-3-4-10-32)7-8-28(39)36-27(31(42)43)17-21-19-35-25-6-2-1-5-24(21)25/h1-2,5-6,15-16,18-19,26-27,35H,3-4,7-14,17H2,(H,36,39)(H,37,40)(H,42,43)/t26?,27-/m1/s1
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n/an/a 40n/an/an/an/an/an/a



Rotta Research Laboratorium

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]N-Me-N-Leu-CCK-8 to cholecystokinin type B receptor in guinea pig brain cortex


J Med Chem 39: 135-42 (1996)


Article DOI: 10.1021/jm950372w
BindingDB Entry DOI: 10.7270/Q2BZ66P3
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50048746
PNG
((S)-2-[5-(8-Aza-spiro[4.5]dec-8-yl)-4-(3,5-dichlor...)
Show SMILES CN(Cc1ccccc1)C(=O)C[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(O)=O
Show InChI InChI=1S/C33H40Cl2N4O6/c1-38(21-22-7-3-2-4-8-22)29(41)20-27(32(44)45)36-28(40)10-9-26(37-30(42)23-17-24(34)19-25(35)18-23)31(43)39-15-13-33(14-16-39)11-5-6-12-33/h2-4,7-8,17-19,26-27H,5-6,9-16,20-21H2,1H3,(H,36,40)(H,37,42)(H,44,45)/t26?,27-/m0/s1
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n/an/a 44n/an/an/an/an/an/a



Rotta Research Laboratorium

Curated by ChEMBL


Assay Description
In vitro inhibition of gastrin-induced [Ca2+] cytosolic elevation in isolated rabbit parietal cells


J Med Chem 39: 135-42 (1996)


Article DOI: 10.1021/jm950372w
BindingDB Entry DOI: 10.7270/Q2BZ66P3
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50048777
PNG
((S)-2-[5-(8-Aza-spiro[4.5]dec-8-yl)-4-(3,5-dichlor...)
Show SMILES OC(=O)[C@H](CCC(=O)Nc1cccc2ccccc12)NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1
Show InChI InChI=1S/C36H40Cl2N4O6/c37-25-20-24(21-26(38)22-25)33(45)41-29(34(46)42-18-16-36(17-19-42)14-3-4-15-36)10-12-32(44)40-30(35(47)48)11-13-31(43)39-28-9-5-7-23-6-1-2-8-27(23)28/h1-2,5-9,20-22,29-30H,3-4,10-19H2,(H,39,43)(H,40,44)(H,41,45)(H,47,48)/t29?,30-/m0/s1
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n/an/a 44n/an/an/an/an/an/a



Rotta Research Laboratorium

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]N-Me-N-Leu-CCK-8 to cholecystokinin type B receptor in guinea pig brain cortex


J Med Chem 39: 135-42 (1996)


Article DOI: 10.1021/jm950372w
BindingDB Entry DOI: 10.7270/Q2BZ66P3
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50048738
PNG
(3-[5-(8-Aza-spiro[4.5]dec-8-yl)-4-(3,5-dichloro-be...)
Show SMILES OC(=O)CC(Cc1c[nH]c2ccccc12)NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1
Show InChI InChI=1S/C33H38Cl2N4O5/c34-23-15-21(16-24(35)18-23)31(43)38-28(32(44)39-13-11-33(12-14-39)9-3-4-10-33)7-8-29(40)37-25(19-30(41)42)17-22-20-36-27-6-2-1-5-26(22)27/h1-2,5-6,15-16,18,20,25,28,36H,3-4,7-14,17,19H2,(H,37,40)(H,38,43)(H,41,42)
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n/an/a 45n/an/an/an/an/an/a



Rotta Research Laboratorium

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]N-Me-N-Leu-CCK-8 to cholecystokinin type B receptor in guinea pig brain cortex


J Med Chem 39: 135-42 (1996)


Article DOI: 10.1021/jm950372w
BindingDB Entry DOI: 10.7270/Q2BZ66P3
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50048724
PNG
((S)-4-[5-(8-Aza-spiro[4.5]dec-8-yl)-4-(3,5-dichlor...)
Show SMILES OC(=O)CC[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)NC1CCCc2ccccc12
Show InChI InChI=1S/C36H44Cl2N4O6/c37-25-20-24(21-26(38)22-25)33(46)41-30(35(48)42-18-16-36(17-19-42)14-3-4-15-36)10-12-31(43)39-29(11-13-32(44)45)34(47)40-28-9-5-7-23-6-1-2-8-27(23)28/h1-2,6,8,20-22,28-30H,3-5,7,9-19H2,(H,39,43)(H,40,47)(H,41,46)(H,44,45)/t28?,29-,30?/m0/s1
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n/an/a 46n/an/an/an/an/an/a



Rotta Research Laboratorium

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]N-Me-N-Leu-CCK-8 to cholecystokinin type B receptor in guinea pig brain cortex


J Med Chem 39: 135-42 (1996)


Article DOI: 10.1021/jm950372w
BindingDB Entry DOI: 10.7270/Q2BZ66P3
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50048737
PNG
((S)-4-[5-(8-Aza-spiro[4.5]dec-8-yl)-4-(3,5-dichlor...)
Show SMILES CCCCCN(CCCCC)C(=O)[C@H](CCC(O)=O)NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1
Show InChI InChI=1S/C36H54Cl2N4O6/c1-3-5-9-19-41(20-10-6-4-2)34(47)29(12-14-32(44)45)39-31(43)13-11-30(40-33(46)26-23-27(37)25-28(38)24-26)35(48)42-21-17-36(18-22-42)15-7-8-16-36/h23-25,29-30H,3-22H2,1-2H3,(H,39,43)(H,40,46)(H,44,45)/t29-,30?/m0/s1
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n/an/a 48n/an/an/an/an/an/a



Rotta Research Laboratorium

Curated by ChEMBL


Assay Description
In vitro inhibition of gastrin-induced [Ca2+] cytosolic elevation in isolated rabbit parietal cells


J Med Chem 39: 135-42 (1996)


Article DOI: 10.1021/jm950372w
BindingDB Entry DOI: 10.7270/Q2BZ66P3
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50048725
PNG
((R)-3-[5-(8-Aza-spiro[4.5]dec-8-yl)-4-(3,5-dichlor...)
Show SMILES CN(Cc1ccccc1)C(=O)[C@@H](CC(O)=O)NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1
Show InChI InChI=1S/C33H40Cl2N4O6/c1-38(21-22-7-3-2-4-8-22)31(44)27(20-29(41)42)36-28(40)10-9-26(37-30(43)23-17-24(34)19-25(35)18-23)32(45)39-15-13-33(14-16-39)11-5-6-12-33/h2-4,7-8,17-19,26-27H,5-6,9-16,20-21H2,1H3,(H,36,40)(H,37,43)(H,41,42)/t26?,27-/m1/s1
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n/an/a 49n/an/an/an/an/an/a



Rotta Research Laboratorium

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]N-Me-N-Leu-CCK-8 to cholecystokinin type B receptor in guinea pig brain cortex


J Med Chem 39: 135-42 (1996)


Article DOI: 10.1021/jm950372w
BindingDB Entry DOI: 10.7270/Q2BZ66P3
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50048744
PNG
((S)-4-[5-(8-Aza-spiro[4.5]dec-8-yl)-4-(3,5-dichlor...)
Show SMILES OC(=O)CC[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C35H42Cl2N4O6/c36-26-19-25(20-27(37)21-26)32(45)39-29(33(46)40-17-14-35(15-18-40)12-3-4-13-35)7-9-30(42)38-28(8-10-31(43)44)34(47)41-16-11-23-5-1-2-6-24(23)22-41/h1-2,5-6,19-21,28-29H,3-4,7-18,22H2,(H,38,42)(H,39,45)(H,43,44)/t28-,29?/m0/s1
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n/an/a 49n/an/an/an/an/an/a



Rotta Research Laboratorium

Curated by ChEMBL


Assay Description
In vitro inhibition of gastrin-induced [Ca2+] cytosolic elevation in isolated rabbit parietal cells


J Med Chem 39: 135-42 (1996)


Article DOI: 10.1021/jm950372w
BindingDB Entry DOI: 10.7270/Q2BZ66P3
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50048797
PNG
(2-[5-(8-Aza-spiro[4.5]dec-8-yl)-4-(3,5-dichloro-be...)
Show SMILES OC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1
Show InChI InChI=1S/C32H36Cl2N4O5/c33-22-15-20(16-23(34)18-22)29(40)37-26(30(41)38-13-11-32(12-14-38)9-3-4-10-32)7-8-28(39)36-27(31(42)43)17-21-19-35-25-6-2-1-5-24(21)25/h1-2,5-6,15-16,18-19,26-27,35H,3-4,7-14,17H2,(H,36,39)(H,37,40)(H,42,43)
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n/an/a 49n/an/an/an/an/an/a



Rotta Research Laboratorium

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]N-Me-N-Leu-CCK-8 to cholecystokinin type B receptor in guinea pig brain cortex


J Med Chem 39: 135-42 (1996)


Article DOI: 10.1021/jm950372w
BindingDB Entry DOI: 10.7270/Q2BZ66P3
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50048766
PNG
((S)-2-{[5-(8-Aza-spiro[4.5]dec-8-yl)-4-(3,5-dichlo...)
Show SMILES CN([C@@H](Cc1c[nH]c2ccccc12)C(O)=O)C(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1
Show InChI InChI=1S/C33H38Cl2N4O5/c1-38(28(32(43)44)18-22-20-36-26-7-3-2-6-25(22)26)29(40)9-8-27(37-30(41)21-16-23(34)19-24(35)17-21)31(42)39-14-12-33(13-15-39)10-4-5-11-33/h2-3,6-7,16-17,19-20,27-28,36H,4-5,8-15,18H2,1H3,(H,37,41)(H,43,44)/t27?,28-/m0/s1
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n/an/a 51n/an/an/an/an/an/a



Rotta Research Laboratorium

Curated by ChEMBL


Assay Description
In vitro inhibition of gastrin-induced [Ca2+] cytosolic elevation in isolated rabbit parietal cells


J Med Chem 39: 135-42 (1996)


Article DOI: 10.1021/jm950372w
BindingDB Entry DOI: 10.7270/Q2BZ66P3
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50048793
PNG
(2-[5-(8-Aza-spiro[4.5]dec-8-yl)-4-(3,5-dichloro-be...)
Show SMILES CC(C)CC(NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(O)=O
Show InChI InChI=1S/C27H37Cl2N3O5/c1-17(2)13-22(26(36)37)30-23(33)6-5-21(31-24(34)18-14-19(28)16-20(29)15-18)25(35)32-11-9-27(10-12-32)7-3-4-8-27/h14-17,21-22H,3-13H2,1-2H3,(H,30,33)(H,31,34)(H,36,37)
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n/an/a 51n/an/an/an/an/an/a



Rotta Research Laboratorium

Curated by ChEMBL


Assay Description
In vitro inhibition of gastrin-induced [Ca2+] cytosolic elevation in isolated rabbit parietal cells


J Med Chem 39: 135-42 (1996)


Article DOI: 10.1021/jm950372w
BindingDB Entry DOI: 10.7270/Q2BZ66P3
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50048782
PNG
(2-{[5-(8-Aza-spiro[4.5]dec-8-yl)-4-(3,5-dichloro-b...)
Show SMILES CN(C(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)c1ccccc1C(O)=O
Show InChI InChI=1S/C29H33Cl2N3O5/c1-33(24-7-3-2-6-22(24)28(38)39)25(35)9-8-23(32-26(36)19-16-20(30)18-21(31)17-19)27(37)34-14-12-29(13-15-34)10-4-5-11-29/h2-3,6-7,16-18,23H,4-5,8-15H2,1H3,(H,32,36)(H,38,39)
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n/an/a 54n/an/an/an/an/an/a



Rotta Research Laboratorium

Curated by ChEMBL


Assay Description
In vitro inhibition of gastrin-induced [Ca2+] cytosolic elevation in isolated rabbit parietal cells


J Med Chem 39: 135-42 (1996)


Article DOI: 10.1021/jm950372w
BindingDB Entry DOI: 10.7270/Q2BZ66P3
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50048728
PNG
((S)-4-[5-(8-Aza-spiro[4.5]dec-8-yl)-4-(3,5-dichlor...)
Show SMILES OC(=O)CC[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)Nc1cccc2cccnc12
Show InChI InChI=1S/C35H39Cl2N5O6/c36-24-19-23(20-25(37)21-24)32(46)41-28(34(48)42-17-14-35(15-18-42)12-1-2-13-35)8-10-29(43)39-27(9-11-30(44)45)33(47)40-26-7-3-5-22-6-4-16-38-31(22)26/h3-7,16,19-21,27-28H,1-2,8-15,17-18H2,(H,39,43)(H,40,47)(H,41,46)(H,44,45)/t27-,28?/m0/s1
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n/an/a 54n/an/an/an/an/an/a



Rotta Research Laboratorium

Curated by ChEMBL


Assay Description
In vitro inhibition of gastrin-induced [Ca2+] cytosolic elevation in isolated rabbit parietal cells


J Med Chem 39: 135-42 (1996)


Article DOI: 10.1021/jm950372w
BindingDB Entry DOI: 10.7270/Q2BZ66P3
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50048747
PNG
(2-[5-(8-Aza-spiro[4.5]dec-8-yl)-4-(3,5-dichloro-be...)
Show SMILES OC(=O)C(Cc1ccccc1)NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1
Show InChI InChI=1S/C30H35Cl2N3O5/c31-22-17-21(18-23(32)19-22)27(37)34-24(28(38)35-14-12-30(13-15-35)10-4-5-11-30)8-9-26(36)33-25(29(39)40)16-20-6-2-1-3-7-20/h1-3,6-7,17-19,24-25H,4-5,8-16H2,(H,33,36)(H,34,37)(H,39,40)
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n/an/a 55n/an/an/an/an/an/a



Rotta Research Laboratorium

Curated by ChEMBL


Assay Description
In vitro inhibition of gastrin-induced [Ca2+] cytosolic elevation in isolated rabbit parietal cells


J Med Chem 39: 135-42 (1996)


Article DOI: 10.1021/jm950372w
BindingDB Entry DOI: 10.7270/Q2BZ66P3
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50048750
PNG
((S)-2-[5-(8-Aza-spiro[4.5]dec-8-yl)-4-(3,5-dichlor...)
Show SMILES CN(Cc1ccccc1)C(=O)CC[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(O)=O
Show InChI InChI=1S/C34H42Cl2N4O6/c1-39(22-23-7-3-2-4-8-23)30(42)12-10-28(33(45)46)37-29(41)11-9-27(38-31(43)24-19-25(35)21-26(36)20-24)32(44)40-17-15-34(16-18-40)13-5-6-14-34/h2-4,7-8,19-21,27-28H,5-6,9-18,22H2,1H3,(H,37,41)(H,38,43)(H,45,46)/t27?,28-/m0/s1
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n/an/a 55n/an/an/an/an/an/a



Rotta Research Laboratorium

Curated by ChEMBL


Assay Description
In vitro inhibition of gastrin-induced [Ca2+] cytosolic elevation in isolated rabbit parietal cells


J Med Chem 39: 135-42 (1996)


Article DOI: 10.1021/jm950372w
BindingDB Entry DOI: 10.7270/Q2BZ66P3
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50048741
PNG
(2-[5-(8-Aza-spiro[4.5]dec-8-yl)-4-(3,5-dichloro-be...)
Show SMILES OC(=O)c1ccccc1NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1
Show InChI InChI=1S/C28H31Cl2N3O5/c29-19-15-18(16-20(30)17-19)25(35)32-23(26(36)33-13-11-28(12-14-33)9-3-4-10-28)7-8-24(34)31-22-6-2-1-5-21(22)27(37)38/h1-2,5-6,15-17,23H,3-4,7-14H2,(H,31,34)(H,32,35)(H,37,38)
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n/an/a 55n/an/an/an/an/an/a



Rotta Research Laboratorium

Curated by ChEMBL


Assay Description
In vitro inhibition of gastrin-induced [Ca2+] cytosolic elevation in isolated rabbit parietal cells


J Med Chem 39: 135-42 (1996)


Article DOI: 10.1021/jm950372w
BindingDB Entry DOI: 10.7270/Q2BZ66P3
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50048774
PNG
((R)-2-{[5-(8-Aza-spiro[4.5]dec-8-yl)-4-(3,5-dichlo...)
Show SMILES CN([C@H](Cc1c[nH]c2ccccc12)C(O)=O)C(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1
Show InChI InChI=1S/C33H38Cl2N4O5/c1-38(28(32(43)44)18-22-20-36-26-7-3-2-6-25(22)26)29(40)9-8-27(37-30(41)21-16-23(34)19-24(35)17-21)31(42)39-14-12-33(13-15-39)10-4-5-11-33/h2-3,6-7,16-17,19-20,27-28,36H,4-5,8-15,18H2,1H3,(H,37,41)(H,43,44)/t27?,28-/m1/s1
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n/an/a 57n/an/an/an/an/an/a



Rotta Research Laboratorium

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]N-Me-N-Leu-CCK-8 to cholecystokinin type B receptor in guinea pig brain cortex


J Med Chem 39: 135-42 (1996)


Article DOI: 10.1021/jm950372w
BindingDB Entry DOI: 10.7270/Q2BZ66P3
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50048780
PNG
((S)-4-[5-(8-Aza-spiro[4.5]dec-8-yl)-4-(3,5-dichlor...)
Show SMILES OC(=O)CC[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)Nc1cccc2CCCCc12
Show InChI InChI=1S/C36H44Cl2N4O6/c37-25-20-24(21-26(38)22-25)33(46)41-30(35(48)42-18-16-36(17-19-42)14-3-4-15-36)10-12-31(43)39-29(11-13-32(44)45)34(47)40-28-9-5-7-23-6-1-2-8-27(23)28/h5,7,9,20-22,29-30H,1-4,6,8,10-19H2,(H,39,43)(H,40,47)(H,41,46)(H,44,45)/t29-,30?/m0/s1
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n/an/a 57n/an/an/an/an/an/a



Rotta Research Laboratorium

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]N-Me-N-Leu-CCK-8 to cholecystokinin type B receptor in guinea pig brain cortex


J Med Chem 39: 135-42 (1996)


Article DOI: 10.1021/jm950372w
BindingDB Entry DOI: 10.7270/Q2BZ66P3
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50048765
PNG
((S)-3-[5-(8-Aza-spiro[4.5]dec-8-yl)-4-(3,5-dichlor...)
Show SMILES OC(=O)C[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C33H40Cl2N4O6/c34-24-18-23(19-25(35)20-24)30(43)38-26(32(45)39-16-13-33(14-17-39)11-4-5-12-33)8-9-28(40)37-27(21-29(41)42)31(44)36-15-10-22-6-2-1-3-7-22/h1-3,6-7,18-20,26-27H,4-5,8-17,21H2,(H,36,44)(H,37,40)(H,38,43)(H,41,42)/t26?,27-/m0/s1
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n/an/a 57n/an/an/an/an/an/a



Rotta Research Laboratorium

Curated by ChEMBL


Assay Description
In vitro inhibition of gastrin-induced [Ca2+] cytosolic elevation in isolated rabbit parietal cells


J Med Chem 39: 135-42 (1996)


Article DOI: 10.1021/jm950372w
BindingDB Entry DOI: 10.7270/Q2BZ66P3
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50048767
PNG
((S)-2-[5-(8-Aza-spiro[4.5]dec-8-yl)-4-(3,5-dichlor...)
Show SMILES OC(=O)[C@H](CC(=O)Nc1cccc2ccccc12)NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1
Show InChI InChI=1S/C35H38Cl2N4O6/c36-24-18-23(19-25(37)20-24)32(44)40-28(33(45)41-16-14-35(15-17-41)12-3-4-13-35)10-11-30(42)39-29(34(46)47)21-31(43)38-27-9-5-7-22-6-1-2-8-26(22)27/h1-2,5-9,18-20,28-29H,3-4,10-17,21H2,(H,38,43)(H,39,42)(H,40,44)(H,46,47)/t28?,29-/m0/s1
PDB

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PubMed
n/an/a 61n/an/an/an/an/an/a



Rotta Research Laboratorium

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]N-Me-N-Leu-CCK-8 to cholecystokinin type B receptor in guinea pig brain cortex


J Med Chem 39: 135-42 (1996)


Article DOI: 10.1021/jm950372w
BindingDB Entry DOI: 10.7270/Q2BZ66P3
More data for this
Ligand-Target Pair
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