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Compile Data Set for Download or QSAR

Found 17 hits with Last Name = 'kimery' and Initial = 'mj'   
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))
BDBM21147
PNG
((3S)-3-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(3S)-3-...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C49H62N10O16S3/c1-76-18-16-34(55-47(69)37(58-44(66)32(50)23-41(61)62)21-28-12-14-30(15-13-28)75-78(72,73)74)45(67)53-26-40(60)54-38(22-29-25-52-33-11-7-6-10-31(29)33)48(70)56-35(17-19-77-2)46(68)59-39(24-42(63)64)49(71)57-36(43(51)65)20-27-8-4-3-5-9-27/h3-15,25,32,34-39,52H,16-24,26,50H2,1-2H3,(H2,51,65)(H,53,67)(H,54,60)(H,55,69)(H,56,70)(H,57,71)(H,58,66)(H,59,68)(H,61,62)(H,63,64)(H,72,73,74)/t32-,34-,35-,36-,37-,38-,39-/m0/s1
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n/an/a 0.316n/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Displacement of CCK-8 from human Cholecystokinin type B receptor expressing CHO cell membranes


J Med Chem 38: 207-11 (1995)


BindingDB Entry DOI: 10.7270/Q28C9XF9
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))
BDBM21147
PNG
((3S)-3-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(3S)-3-...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C49H62N10O16S3/c1-76-18-16-34(55-47(69)37(58-44(66)32(50)23-41(61)62)21-28-12-14-30(15-13-28)75-78(72,73)74)45(67)53-26-40(60)54-38(22-29-25-52-33-11-7-6-10-31(29)33)48(70)56-35(17-19-77-2)46(68)59-39(24-42(63)64)49(71)57-36(43(51)65)20-27-8-4-3-5-9-27/h3-15,25,32,34-39,52H,16-24,26,50H2,1-2H3,(H2,51,65)(H,53,67)(H,54,60)(H,55,69)(H,56,70)(H,57,71)(H,58,66)(H,59,68)(H,61,62)(H,63,64)(H,72,73,74)/t32-,34-,35-,36-,37-,38-,39-/m0/s1
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n/an/a 0.398n/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Displacement of CCK-8 from CHO cell membranes expressing human Cholecystokinin type A receptor


J Med Chem 38: 207-11 (1995)


BindingDB Entry DOI: 10.7270/Q28C9XF9
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))
BDBM50453648
PNG
(CHEMBL63707)
Show SMILES CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC(CCCCNC(=O)Nc1ccccc1Cl)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](Cc1ccc(C)cc1)C(N)=O
Show InChI InChI=1S/C40H47ClN8O8/c1-23-14-16-25(17-15-23)19-32(36(42)53)47-39(56)34(21-35(51)52)48-37(54)31(13-7-8-18-43-40(57)49-30-12-6-4-10-28(30)41)46-38(55)33(45-24(2)50)20-26-22-44-29-11-5-3-9-27(26)29/h3-6,9-12,14-17,22,31-34,44H,7-8,13,18-21H2,1-2H3,(H2,42,53)(H,45,50)(H,46,55)(H,47,56)(H,48,54)(H,51,52)(H2,43,49,57)/t31?,32-,33+,34+/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Displacement of CCK-8 from CHO cell membranes expressing human Cholecystokinin type A receptor


J Med Chem 38: 207-11 (1995)


BindingDB Entry DOI: 10.7270/Q28C9XF9
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM81962
PNG
(S-L-365,260)
Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(C)c2)C1=O)c1ccccc1 |r,c:9|
Show InChI InChI=1S/C24H22N4O2/c1-16-9-8-12-18(15-16)25-24(30)27-22-23(29)28(2)20-14-7-6-13-19(20)21(26-22)17-10-4-3-5-11-17/h3-15,22H,1-2H3,(H2,25,27,30)/t22-/m0/s1
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n/an/a 6.30n/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Displacement of CCK-8 from human Cholecystokinin type B receptor expressing CHO cell membranes


J Med Chem 38: 207-11 (1995)


BindingDB Entry DOI: 10.7270/Q28C9XF9
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))
BDBM50453649
PNG
(CHEMBL304524)
Show SMILES CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC(CCCCNC(=O)Nc1ccccc1C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](Cc1ccc(C)cc1)C(N)=O
Show InChI InChI=1S/C41H50N8O8/c1-24-15-17-27(18-16-24)20-33(37(42)53)47-40(56)35(22-36(51)52)48-38(54)32(14-8-9-19-43-41(57)49-30-12-6-4-10-25(30)2)46-39(55)34(45-26(3)50)21-28-23-44-31-13-7-5-11-29(28)31/h4-7,10-13,15-18,23,32-35,44H,8-9,14,19-22H2,1-3H3,(H2,42,53)(H,45,50)(H,46,55)(H,47,56)(H,48,54)(H,51,52)(H2,43,49,57)/t32?,33-,34+,35+/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Displacement of CCK-8 from CHO cell membranes expressing human Cholecystokinin type A receptor


J Med Chem 38: 207-11 (1995)


BindingDB Entry DOI: 10.7270/Q28C9XF9
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))
BDBM50407325
PNG
(CHEMBL408395)
Show SMILES CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC(Cc1ccc(NC(=O)Nc2ccccc2C)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](Cc1ccc(C)cc1)C(N)=O
Show InChI InChI=1S/C44H48N8O8/c1-25-12-14-28(15-13-25)20-35(40(45)56)49-43(59)38(23-39(54)55)51-41(57)36(21-29-16-18-31(19-17-29)48-44(60)52-33-10-6-4-8-26(33)2)50-42(58)37(47-27(3)53)22-30-24-46-34-11-7-5-9-32(30)34/h4-19,24,35-38,46H,20-23H2,1-3H3,(H2,45,56)(H,47,53)(H,49,59)(H,50,58)(H,51,57)(H,54,55)(H2,48,52,60)/t35-,36?,37+,38+/m1/s1
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n/an/a 32n/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Displacement of CCK-8 from CHO cell membranes expressing human Cholecystokinin type A receptor


J Med Chem 38: 207-11 (1995)


BindingDB Entry DOI: 10.7270/Q28C9XF9
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))
BDBM50407326
PNG
(CHEMBL302027)
Show SMILES CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC(Cc1cccc(NC(=O)Nc2ccccc2C)c1)C(=O)N[C@H](CC(O)=O)C(=O)N[C@@H](Cc1ccc(C)cc1)C(N)=O
Show InChI InChI=1S/C44H48N8O8/c1-25-15-17-28(18-16-25)20-35(40(45)56)49-43(59)38(23-39(54)55)51-41(57)36(21-29-10-8-11-31(19-29)48-44(60)52-33-13-6-4-9-26(33)2)50-42(58)37(47-27(3)53)22-30-24-46-34-14-7-5-12-32(30)34/h4-19,24,35-38,46H,20-23H2,1-3H3,(H2,45,56)(H,47,53)(H,49,59)(H,50,58)(H,51,57)(H,54,55)(H2,48,52,60)/t35-,36?,37+,38+/m0/s1
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n/an/a 63n/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Displacement of CCK-8 from CHO cell membranes expressing human Cholecystokinin type A receptor


J Med Chem 38: 207-11 (1995)


BindingDB Entry DOI: 10.7270/Q28C9XF9
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))
BDBM50407327
PNG
(CHEMBL303635)
Show SMILES CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC(Cc1cccc(NC(=O)Nc2ccccc2C)c1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](Cc1ccc(C)cc1)C(N)=O
Show InChI InChI=1S/C44H48N8O8/c1-25-15-17-28(18-16-25)20-35(40(45)56)49-43(59)38(23-39(54)55)51-41(57)36(21-29-10-8-11-31(19-29)48-44(60)52-33-13-6-4-9-26(33)2)50-42(58)37(47-27(3)53)22-30-24-46-34-14-7-5-12-32(30)34/h4-19,24,35-38,46H,20-23H2,1-3H3,(H2,45,56)(H,47,53)(H,49,59)(H,50,58)(H,51,57)(H,54,55)(H2,48,52,60)/t35-,36?,37+,38+/m1/s1
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n/an/a 100n/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Displacement of CCK-8 from CHO cell membranes expressing human Cholecystokinin type A receptor


J Med Chem 38: 207-11 (1995)


BindingDB Entry DOI: 10.7270/Q28C9XF9
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))
BDBM50407328
PNG
(CHEMBL302150)
Show SMILES CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC(Cc1ccc(NC(=O)Nc2ccccc2Cl)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](Cc1ccc(C)cc1)C(N)=O
Show InChI InChI=1S/C43H45ClN8O8/c1-24-11-13-26(14-12-24)19-34(39(45)56)49-42(59)37(22-38(54)55)51-40(57)35(20-27-15-17-29(18-16-27)48-43(60)52-33-10-6-4-8-31(33)44)50-41(58)36(47-25(2)53)21-28-23-46-32-9-5-3-7-30(28)32/h3-18,23,34-37,46H,19-22H2,1-2H3,(H2,45,56)(H,47,53)(H,49,59)(H,50,58)(H,51,57)(H,54,55)(H2,48,52,60)/t34-,35?,36+,37+/m1/s1
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n/an/a 100n/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Displacement of CCK-8 from CHO cell membranes expressing human Cholecystokinin type A receptor


J Med Chem 38: 207-11 (1995)


BindingDB Entry DOI: 10.7270/Q28C9XF9
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))
BDBM81962
PNG
(S-L-365,260)
Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(C)c2)C1=O)c1ccccc1 |r,c:9|
Show InChI InChI=1S/C24H22N4O2/c1-16-9-8-12-18(15-16)25-24(30)27-22-23(29)28(2)20-14-7-6-13-19(20)21(26-22)17-10-4-3-5-11-17/h3-15,22H,1-2H3,(H2,25,27,30)/t22-/m0/s1
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n/an/a 158n/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Displacement of CCK-8 from CHO cell membranes expressing human Cholecystokinin type A receptor


J Med Chem 38: 207-11 (1995)


BindingDB Entry DOI: 10.7270/Q28C9XF9
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50453648
PNG
(CHEMBL63707)
Show SMILES CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC(CCCCNC(=O)Nc1ccccc1Cl)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](Cc1ccc(C)cc1)C(N)=O
Show InChI InChI=1S/C40H47ClN8O8/c1-23-14-16-25(17-15-23)19-32(36(42)53)47-39(56)34(21-35(51)52)48-37(54)31(13-7-8-18-43-40(57)49-30-12-6-4-10-28(30)41)46-38(55)33(45-24(2)50)20-26-22-44-29-11-5-3-9-27(26)29/h3-6,9-12,14-17,22,31-34,44H,7-8,13,18-21H2,1-2H3,(H2,42,53)(H,45,50)(H,46,55)(H,47,56)(H,48,54)(H,51,52)(H2,43,49,57)/t31?,32-,33+,34+/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Displacement of CCK-8 from human Cholecystokinin type B receptor expressing CHO cell membranes


J Med Chem 38: 207-11 (1995)


BindingDB Entry DOI: 10.7270/Q28C9XF9
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50453647
PNG
(CHEMBL2369373)
Show SMILES CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](Cc1ccc(C)cc1)C(N)=O
Show InChI InChI=1S/C36H40N6O7/c1-21-12-14-24(15-13-21)16-28(33(37)46)40-36(49)31(19-32(44)45)42-34(47)29(17-23-8-4-3-5-9-23)41-35(48)30(39-22(2)43)18-25-20-38-27-11-7-6-10-26(25)27/h3-15,20,28-31,38H,16-19H2,1-2H3,(H2,37,46)(H,39,43)(H,40,49)(H,41,48)(H,42,47)(H,44,45)/t28-,29+,30+,31+/m1/s1
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n/an/a 3.98E+3n/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Displacement of CCK-8 from human Cholecystokinin type B receptor expressing CHO cell membranes


J Med Chem 38: 207-11 (1995)


BindingDB Entry DOI: 10.7270/Q28C9XF9
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50453649
PNG
(CHEMBL304524)
Show SMILES CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC(CCCCNC(=O)Nc1ccccc1C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](Cc1ccc(C)cc1)C(N)=O
Show InChI InChI=1S/C41H50N8O8/c1-24-15-17-27(18-16-24)20-33(37(42)53)47-40(56)35(22-36(51)52)48-38(54)32(14-8-9-19-43-41(57)49-30-12-6-4-10-25(30)2)46-39(55)34(45-26(3)50)21-28-23-44-31-13-7-5-11-29(28)31/h4-7,10-13,15-18,23,32-35,44H,8-9,14,19-22H2,1-3H3,(H2,42,53)(H,45,50)(H,46,55)(H,47,56)(H,48,54)(H,51,52)(H2,43,49,57)/t32?,33-,34+,35+/m1/s1
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n/an/a 5.01E+3n/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Displacement of CCK-8 from human Cholecystokinin type B receptor expressing CHO cell membranes


J Med Chem 38: 207-11 (1995)


BindingDB Entry DOI: 10.7270/Q28C9XF9
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50407327
PNG
(CHEMBL303635)
Show SMILES CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC(Cc1cccc(NC(=O)Nc2ccccc2C)c1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](Cc1ccc(C)cc1)C(N)=O
Show InChI InChI=1S/C44H48N8O8/c1-25-15-17-28(18-16-25)20-35(40(45)56)49-43(59)38(23-39(54)55)51-41(57)36(21-29-10-8-11-31(19-29)48-44(60)52-33-13-6-4-9-26(33)2)50-42(58)37(47-27(3)53)22-30-24-46-34-14-7-5-12-32(30)34/h4-19,24,35-38,46H,20-23H2,1-3H3,(H2,45,56)(H,47,53)(H,49,59)(H,50,58)(H,51,57)(H,54,55)(H2,48,52,60)/t35-,36?,37+,38+/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Displacement of CCK-8 from human Cholecystokinin type B receptor expressing CHO cell membranes


J Med Chem 38: 207-11 (1995)


BindingDB Entry DOI: 10.7270/Q28C9XF9
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50407326
PNG
(CHEMBL302027)
Show SMILES CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC(Cc1cccc(NC(=O)Nc2ccccc2C)c1)C(=O)N[C@H](CC(O)=O)C(=O)N[C@@H](Cc1ccc(C)cc1)C(N)=O
Show InChI InChI=1S/C44H48N8O8/c1-25-15-17-28(18-16-25)20-35(40(45)56)49-43(59)38(23-39(54)55)51-41(57)36(21-29-10-8-11-31(19-29)48-44(60)52-33-13-6-4-9-26(33)2)50-42(58)37(47-27(3)53)22-30-24-46-34-14-7-5-12-32(30)34/h4-19,24,35-38,46H,20-23H2,1-3H3,(H2,45,56)(H,47,53)(H,49,59)(H,50,58)(H,51,57)(H,54,55)(H2,48,52,60)/t35-,36?,37+,38+/m0/s1
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n/an/a 5.01E+4n/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Displacement of CCK-8 from human Cholecystokinin type B receptor expressing CHO cell membranes


J Med Chem 38: 207-11 (1995)


BindingDB Entry DOI: 10.7270/Q28C9XF9
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50407328
PNG
(CHEMBL302150)
Show SMILES CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC(Cc1ccc(NC(=O)Nc2ccccc2Cl)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](Cc1ccc(C)cc1)C(N)=O
Show InChI InChI=1S/C43H45ClN8O8/c1-24-11-13-26(14-12-24)19-34(39(45)56)49-42(59)37(22-38(54)55)51-40(57)35(20-27-15-17-29(18-16-27)48-43(60)52-33-10-6-4-8-31(33)44)50-41(58)36(47-25(2)53)21-28-23-46-32-9-5-3-7-30(28)32/h3-18,23,34-37,46H,19-22H2,1-2H3,(H2,45,56)(H,47,53)(H,49,59)(H,50,58)(H,51,57)(H,54,55)(H2,48,52,60)/t34-,35?,36+,37+/m1/s1
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n/an/a 6.31E+4n/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Displacement of CCK-8 from human Cholecystokinin type B receptor expressing CHO cell membranes


J Med Chem 38: 207-11 (1995)


BindingDB Entry DOI: 10.7270/Q28C9XF9
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50407325
PNG
(CHEMBL408395)
Show SMILES CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC(Cc1ccc(NC(=O)Nc2ccccc2C)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](Cc1ccc(C)cc1)C(N)=O
Show InChI InChI=1S/C44H48N8O8/c1-25-12-14-28(15-13-25)20-35(40(45)56)49-43(59)38(23-39(54)55)51-41(57)36(21-29-16-18-31(19-17-29)48-44(60)52-33-10-6-4-8-26(33)2)50-42(58)37(47-27(3)53)22-30-24-46-34-11-7-5-9-32(30)34/h4-19,24,35-38,46H,20-23H2,1-3H3,(H2,45,56)(H,47,53)(H,49,59)(H,50,58)(H,51,57)(H,54,55)(H2,48,52,60)/t35-,36?,37+,38+/m1/s1
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n/an/a 9.99E+4n/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Displacement of CCK-8 from human Cholecystokinin type B receptor expressing CHO cell membranes


J Med Chem 38: 207-11 (1995)


BindingDB Entry DOI: 10.7270/Q28C9XF9
More data for this
Ligand-Target Pair