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PubMed code 1716682

Compile data set for download or QSAR
Found 64 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50008001
PNG
(3-{6-[3-(2-Bromo-phenyl)-ureido]-2-[2-tert-butoxyc...)
Show SMILES CC(C)(C)OC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccccc1Br)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C42H51BrN8O9/c1-42(2,3)60-41(59)51-33(22-26-24-46-29-17-9-7-15-27(26)29)38(56)47-31(19-11-12-20-45-40(58)50-30-18-10-8-16-28(30)43)37(55)49-34(23-35(52)53)39(57)48-32(36(44)54)21-25-13-5-4-6-14-25/h4-10,13-18,24,31-34,46H,11-12,19-23H2,1-3H3,(H2,44,54)(H,47,56)(H,48,57)(H,49,55)(H,51,59)(H,52,53)(H2,45,50,58)/t31-,32?,33?,34?/m0/s1
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n/an/a 3.60n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Cholecystokinin type A receptor in guinea pig pancreas by using [125I]-BH-CCK-8 as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50007994
PNG
(3-{(S)-2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3...)
Show SMILES CC(C)(C)OC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccccc1Cl)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C42H51ClN8O9/c1-42(2,3)60-41(59)51-33(22-26-24-46-29-17-9-7-15-27(26)29)38(56)47-31(19-11-12-20-45-40(58)50-30-18-10-8-16-28(30)43)37(55)49-34(23-35(52)53)39(57)48-32(36(44)54)21-25-13-5-4-6-14-25/h4-10,13-18,24,31-34,46H,11-12,19-23H2,1-3H3,(H2,44,54)(H,47,56)(H,48,57)(H,49,55)(H,51,59)(H,52,53)(H2,45,50,58)/t31-,32?,33?,34?/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Cholecystokinin type A receptor in guinea pig pancreas by using [125I]-BH-CCK-8 as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50007925
PNG
((S)-3-[(S)-2-[(S)-2-tert-Butoxycarbonylamino-3-(1H...)
Show SMILES Cc1ccccc1NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C43H54N8O9/c1-26-14-8-10-18-30(26)50-41(58)45-21-13-12-20-32(38(55)49-35(24-36(52)53)40(57)48-33(37(44)54)22-27-15-6-5-7-16-27)47-39(56)34(51-42(59)60-43(2,3)4)23-28-25-46-31-19-11-9-17-29(28)31/h5-11,14-19,25,32-35,46H,12-13,20-24H2,1-4H3,(H2,44,54)(H,47,56)(H,48,57)(H,49,55)(H,51,59)(H,52,53)(H2,45,50,58)/t32-,33-,34-,35-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Cholecystokinin type A receptor in guinea pig pancreas by using [125I]-BH-CCK-8 as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50007978
PNG
(3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CC(C)(C)OC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1cccc(Cl)c1Cl)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C42H50Cl2N8O9/c1-42(2,3)61-41(60)52-32(21-25-23-47-28-16-8-7-14-26(25)28)38(57)48-30(17-9-10-19-46-40(59)51-29-18-11-15-27(43)35(29)44)37(56)50-33(22-34(53)54)39(58)49-31(36(45)55)20-24-12-5-4-6-13-24/h4-8,11-16,18,23,30-33,47H,9-10,17,19-22H2,1-3H3,(H2,45,55)(H,48,57)(H,49,58)(H,50,56)(H,52,60)(H,53,54)(H2,46,51,59)/t30-,31?,32?,33?/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards cholecystokinin type A receptor in guinea pig pancreas by using [125I]-BH-CCK-8 as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50007990
PNG
(3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CC(C)(C)OC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccccc1C(F)(F)F)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C43H51F3N8O9/c1-42(2,3)63-41(62)54-33(22-26-24-49-29-17-9-7-15-27(26)29)38(59)50-31(19-11-12-20-48-40(61)53-30-18-10-8-16-28(30)43(44,45)46)37(58)52-34(23-35(55)56)39(60)51-32(36(47)57)21-25-13-5-4-6-14-25/h4-10,13-18,24,31-34,49H,11-12,19-23H2,1-3H3,(H2,47,57)(H,50,59)(H,51,60)(H,52,58)(H,54,62)(H,55,56)(H2,48,53,61)/t31-,32?,33?,34?/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Cholecystokinin type A receptor in guinea pig pancreas by using [125I]-BH-CCK-8 as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50007993
PNG
(3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CC(C)(C)OC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccc(Cl)cc1Cl)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C42H50Cl2N8O9/c1-42(2,3)61-41(60)52-33(20-25-23-47-29-14-8-7-13-27(25)29)38(57)48-31(15-9-10-18-46-40(59)51-30-17-16-26(43)21-28(30)44)37(56)50-34(22-35(53)54)39(58)49-32(36(45)55)19-24-11-5-4-6-12-24/h4-8,11-14,16-17,21,23,31-34,47H,9-10,15,18-20,22H2,1-3H3,(H2,45,55)(H,48,57)(H,49,58)(H,50,56)(H,52,60)(H,53,54)(H2,46,51,59)/t31-,32?,33?,34?/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards cholecystokinin type A receptor in guinea pig pancreas by using [125I]-BH-CCK-8 as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50007977
PNG
(3-[2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CC(C)(C)OC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1cccc2ccccc12)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C46H54N8O9/c1-46(2,3)63-45(62)54-37(25-30-27-49-33-20-10-9-19-32(30)33)42(59)50-35(21-11-12-23-48-44(61)53-34-22-13-17-29-16-7-8-18-31(29)34)41(58)52-38(26-39(55)56)43(60)51-36(40(47)57)24-28-14-5-4-6-15-28/h4-10,13-20,22,27,35-38,49H,11-12,21,23-26H2,1-3H3,(H2,47,57)(H,50,59)(H,51,60)(H,52,58)(H,54,62)(H,55,56)(H2,48,53,61)/t35-,36?,37?,38?/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Cholecystokinin type A receptor in guinea pig pancreas by using [125I]-BH-CCK-8 as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50007998
PNG
(3-[(S)-2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3...)
Show SMILES Cc1cccc(NC(=O)NCCCC[C@H](NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)C(=O)NC(CC(O)=O)C(=O)NC(Cc2ccccc2)C(N)=O)c1
Show InChI InChI=1S/C43H54N8O9/c1-26-13-12-16-29(21-26)47-41(58)45-20-11-10-19-32(38(55)50-35(24-36(52)53)40(57)49-33(37(44)54)22-27-14-6-5-7-15-27)48-39(56)34(51-42(59)60-43(2,3)4)23-28-25-46-31-18-9-8-17-30(28)31/h5-9,12-18,21,25,32-35,46H,10-11,19-20,22-24H2,1-4H3,(H2,44,54)(H,48,56)(H,49,57)(H,50,55)(H,51,59)(H,52,53)(H2,45,47,58)/t32-,33?,34?,35?/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards cholecystokinin type A receptor in guinea pig pancreas by using [125I]-BH-CCK-8 as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50008004
PNG
(3-[2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CC(C)(C)OC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccc2ccccc2c1)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C46H54N8O9/c1-46(2,3)63-45(62)54-37(25-31-27-49-34-18-10-9-17-33(31)34)42(59)51-35(19-11-12-22-48-44(61)50-32-21-20-29-15-7-8-16-30(29)24-32)41(58)53-38(26-39(55)56)43(60)52-36(40(47)57)23-28-13-5-4-6-14-28/h4-10,13-18,20-21,24,27,35-38,49H,11-12,19,22-23,25-26H2,1-3H3,(H2,47,57)(H,51,59)(H,52,60)(H,53,58)(H,54,62)(H,55,56)(H2,48,50,61)/t35-,36?,37?,38?/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Cholecystokinin type A receptor in guinea pig pancreas by using [125I]-BH-CCK-8 as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50007986
PNG
(3-{(S)-6-[3-(3-Acetyl-phenyl)-ureido]-2-[2-tert-bu...)
Show SMILES CC(=O)c1cccc(NC(=O)NCCCC[C@H](NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)C(=O)NC(CC(O)=O)C(=O)NC(Cc2ccccc2)C(N)=O)c1
Show InChI InChI=1S/C44H54N8O10/c1-26(53)28-15-12-16-30(22-28)48-42(60)46-20-11-10-19-33(39(57)51-36(24-37(54)55)41(59)50-34(38(45)56)21-27-13-6-5-7-14-27)49-40(58)35(52-43(61)62-44(2,3)4)23-29-25-47-32-18-9-8-17-31(29)32/h5-9,12-18,22,25,33-36,47H,10-11,19-21,23-24H2,1-4H3,(H2,45,56)(H,49,58)(H,50,59)(H,51,57)(H,52,61)(H,54,55)(H2,46,48,60)/t33-,34?,35?,36?/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards cholecystokinin type A receptor in guinea pig pancreas by using [125I]-BH-CCK-8 as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50007982
PNG
(3-[2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CC(C)(C)OC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)NC1CCCCC1)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C42H58N8O9/c1-42(2,3)59-41(58)50-33(23-27-25-45-30-19-11-10-18-29(27)30)38(55)47-31(20-12-13-21-44-40(57)46-28-16-8-5-9-17-28)37(54)49-34(24-35(51)52)39(56)48-32(36(43)53)22-26-14-6-4-7-15-26/h4,6-7,10-11,14-15,18-19,25,28,31-34,45H,5,8-9,12-13,16-17,20-24H2,1-3H3,(H2,43,53)(H,47,55)(H,48,56)(H,49,54)(H,50,58)(H,51,52)(H2,44,46,57)/t31-,32?,33?,34?/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Cholecystokinin type A receptor in guinea pig pancreas by using [125I]-BH-CCK-8 as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50008000
PNG
(3-{(S)-2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3...)
Show SMILES CC(C)(C)OC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccccc1[N+]([O-])=O)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C42H51N9O11/c1-42(2,3)62-41(59)50-32(22-26-24-45-28-16-8-7-15-27(26)28)38(56)46-30(18-11-12-20-44-40(58)49-29-17-9-10-19-34(29)51(60)61)37(55)48-33(23-35(52)53)39(57)47-31(36(43)54)21-25-13-5-4-6-14-25/h4-10,13-17,19,24,30-33,45H,11-12,18,20-23H2,1-3H3,(H2,43,54)(H,46,56)(H,47,57)(H,48,55)(H,50,59)(H,52,53)(H2,44,49,58)/t30-,31?,32?,33?/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Cholecystokinin type A receptor in guinea pig pancreas by using [125I]-BH-CCK-8 as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50007979
PNG
(3-{(S)-2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3...)
Show SMILES COc1ccccc1NC(=O)NCCCC[C@H](NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C43H54N8O10/c1-43(2,3)61-42(59)51-33(23-27-25-46-29-17-9-8-16-28(27)29)39(56)47-31(19-12-13-21-45-41(58)50-30-18-10-11-20-35(30)60-4)38(55)49-34(24-36(52)53)40(57)48-32(37(44)54)22-26-14-6-5-7-15-26/h5-11,14-18,20,25,31-34,46H,12-13,19,21-24H2,1-4H3,(H2,44,54)(H,47,56)(H,48,57)(H,49,55)(H,51,59)(H,52,53)(H2,45,50,58)/t31-,32?,33?,34?/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Cholecystokinin type A receptor in guinea pig pancreas by using [125I]-BH-CCK-8 as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50007996
PNG
(3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CC(C)c1ccccc1NC(=O)NCCCC[C@H](NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C45H58N8O9/c1-27(2)30-17-9-12-20-33(30)52-43(60)47-22-14-13-21-34(40(57)51-37(25-38(54)55)42(59)50-35(39(46)56)23-28-15-7-6-8-16-28)49-41(58)36(53-44(61)62-45(3,4)5)24-29-26-48-32-19-11-10-18-31(29)32/h6-12,15-20,26-27,34-37,48H,13-14,21-25H2,1-5H3,(H2,46,56)(H,49,58)(H,50,59)(H,51,57)(H,53,61)(H,54,55)(H2,47,52,60)/t34-,35?,36?,37?/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Cholecystokinin type A receptor in guinea pig pancreas by using [125I]-BH-CCK-8 as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50008005
PNG
(3-(3-{(S)-5-[2-tert-Butoxycarbonylamino-3-(1H-indo...)
Show SMILES COC(=O)c1cccc(NC(=O)NCCCC[C@H](NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)C(=O)NC(CC(O)=O)C(=O)NC(Cc2ccccc2)C(N)=O)c1
Show InChI InChI=1S/C44H54N8O11/c1-44(2,3)63-43(61)52-34(23-28-25-47-31-18-9-8-17-30(28)31)39(57)49-32(19-10-11-20-46-42(60)48-29-16-12-15-27(22-29)41(59)62-4)38(56)51-35(24-36(53)54)40(58)50-33(37(45)55)21-26-13-6-5-7-14-26/h5-9,12-18,22,25,32-35,47H,10-11,19-21,23-24H2,1-4H3,(H2,45,55)(H,49,57)(H,50,58)(H,51,56)(H,52,61)(H,53,54)(H2,46,48,60)/t32-,33?,34?,35?/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards cholecystokinin type A receptor in guinea pig pancreas by using [125I]-BH-CCK-8 as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50007987
PNG
(3-[2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CC(C)(C)OC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccccc1)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C42H52N8O9/c1-42(2,3)59-41(58)50-33(23-27-25-45-30-19-11-10-18-29(27)30)38(55)47-31(20-12-13-21-44-40(57)46-28-16-8-5-9-17-28)37(54)49-34(24-35(51)52)39(56)48-32(36(43)53)22-26-14-6-4-7-15-26/h4-11,14-19,25,31-34,45H,12-13,20-24H2,1-3H3,(H2,43,53)(H,47,55)(H,48,56)(H,49,54)(H,50,58)(H,51,52)(H2,44,46,57)/t31-,32?,33?,34?/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards cholecystokinin type A receptor in guinea pig pancreas by using [125I]-BH-CCK-8 as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50008006
PNG
(2-(3-{(S)-5-[2-tert-Butoxycarbonylamino-3-(1H-indo...)
Show SMILES COC(=O)c1ccccc1NC(=O)NCCCC[C@H](NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C44H54N8O11/c1-44(2,3)63-43(61)52-34(23-27-25-47-30-18-10-8-16-28(27)30)39(57)48-32(20-12-13-21-46-42(60)51-31-19-11-9-17-29(31)41(59)62-4)38(56)50-35(24-36(53)54)40(58)49-33(37(45)55)22-26-14-6-5-7-15-26/h5-11,14-19,25,32-35,47H,12-13,20-24H2,1-4H3,(H2,45,55)(H,48,57)(H,49,58)(H,50,56)(H,52,61)(H,53,54)(H2,46,51,60)/t32-,33?,34?,35?/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Cholecystokinin type A receptor in guinea pig pancreas by using [125I]-BH-CCK-8 as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50008007
PNG
(3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CC(C)(C)OC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1cccc(Cl)c1)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C42H51ClN8O9/c1-42(2,3)60-41(59)51-33(21-26-24-46-30-17-8-7-16-29(26)30)38(56)48-31(18-9-10-19-45-40(58)47-28-15-11-14-27(43)22-28)37(55)50-34(23-35(52)53)39(57)49-32(36(44)54)20-25-12-5-4-6-13-25/h4-8,11-17,22,24,31-34,46H,9-10,18-21,23H2,1-3H3,(H2,44,54)(H,48,56)(H,49,57)(H,50,55)(H,51,59)(H,52,53)(H2,45,47,58)/t31-,32?,33?,34?/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Cholecystokinin type A receptor in guinea pig pancreas by using [125I]-BH-CCK-8 as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50007980
PNG
(3-[(S)-2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3...)
Show SMILES Cc1ccc(NC(=O)NCCCC[C@H](NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)C(=O)NC(CC(O)=O)C(=O)NC(Cc2ccccc2)C(N)=O)cc1
Show InChI InChI=1S/C43H54N8O9/c1-26-17-19-29(20-18-26)47-41(58)45-21-11-10-16-32(38(55)50-35(24-36(52)53)40(57)49-33(37(44)54)22-27-12-6-5-7-13-27)48-39(56)34(51-42(59)60-43(2,3)4)23-28-25-46-31-15-9-8-14-30(28)31/h5-9,12-15,17-20,25,32-35,46H,10-11,16,21-24H2,1-4H3,(H2,44,54)(H,48,56)(H,49,57)(H,50,55)(H,51,59)(H,52,53)(H2,45,47,58)/t32-,33?,34?,35?/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards cholecystokinin type A receptor in guinea pig pancreas by using [125I]-BH-CCK-8 as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50007984
PNG
(3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CC(C)(C)OC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1cccc(c1)C(F)(F)F)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C43H51F3N8O9/c1-42(2,3)63-41(62)54-33(21-26-24-49-30-17-8-7-16-29(26)30)38(59)51-31(18-9-10-19-48-40(61)50-28-15-11-14-27(22-28)43(44,45)46)37(58)53-34(23-35(55)56)39(60)52-32(36(47)57)20-25-12-5-4-6-13-25/h4-8,11-17,22,24,31-34,49H,9-10,18-21,23H2,1-3H3,(H2,47,57)(H,51,59)(H,52,60)(H,53,58)(H,54,62)(H,55,56)(H2,48,50,61)/t31-,32?,33?,34?/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Cholecystokinin type A receptor in guinea pig pancreas by using [125I]-BH-CCK-8 as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50008002
PNG
(3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CC(C)(C)OC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccc(Cl)cc1)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C42H51ClN8O9/c1-42(2,3)60-41(59)51-33(22-26-24-46-30-14-8-7-13-29(26)30)38(56)48-31(15-9-10-20-45-40(58)47-28-18-16-27(43)17-19-28)37(55)50-34(23-35(52)53)39(57)49-32(36(44)54)21-25-11-5-4-6-12-25/h4-8,11-14,16-19,24,31-34,46H,9-10,15,20-23H2,1-3H3,(H2,44,54)(H,48,56)(H,49,57)(H,50,55)(H,51,59)(H,52,53)(H2,45,47,58)/t31-,32?,33?,34?/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Cholecystokinin type A receptor in guinea pig pancreas by using [125I]-BH-CCK-8 as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50007976
PNG
(3-[2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES Cc1ccccc1NC(=O)NCCCCC[C@H](NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C44H56N8O9/c1-27-15-10-12-19-31(27)51-42(59)46-22-14-6-9-21-33(39(56)50-36(25-37(53)54)41(58)49-34(38(45)55)23-28-16-7-5-8-17-28)48-40(57)35(52-43(60)61-44(2,3)4)24-29-26-47-32-20-13-11-18-30(29)32/h5,7-8,10-13,15-20,26,33-36,47H,6,9,14,21-25H2,1-4H3,(H2,45,55)(H,48,57)(H,49,58)(H,50,56)(H,52,60)(H,53,54)(H2,46,51,59)/t33-,34?,35?,36?/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Cholecystokinin type A receptor in guinea pig pancreas by using [125I]-BH-CCK-8 as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50007981
PNG
(3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CC(C)(C)OC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=S)Nc1ccccc1Cl)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C42H51ClN8O8S/c1-42(2,3)59-41(58)51-33(22-26-24-46-29-17-9-7-15-27(26)29)38(56)47-31(19-11-12-20-45-40(60)50-30-18-10-8-16-28(30)43)37(55)49-34(23-35(52)53)39(57)48-32(36(44)54)21-25-13-5-4-6-14-25/h4-10,13-18,24,31-34,46H,11-12,19-23H2,1-3H3,(H2,44,54)(H,47,56)(H,48,57)(H,49,55)(H,51,58)(H,52,53)(H2,45,50,60)/t31-,32?,33?,34?/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Cholecystokinin type A receptor in guinea pig pancreas by using [125I]-BH-CCK-8 as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50007991
PNG
(3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CC(C)(C)OC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1c(Cl)cccc1Cl)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C42H50Cl2N8O9/c1-42(2,3)61-41(60)51-32(21-25-23-47-29-17-8-7-14-26(25)29)38(57)48-30(18-9-10-19-46-40(59)52-35-27(43)15-11-16-28(35)44)37(56)50-33(22-34(53)54)39(58)49-31(36(45)55)20-24-12-5-4-6-13-24/h4-8,11-17,23,30-33,47H,9-10,18-22H2,1-3H3,(H2,45,55)(H,48,57)(H,49,58)(H,50,56)(H,51,60)(H,53,54)(H2,46,52,59)/t30-,31?,32?,33?/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Cholecystokinin type A receptor in guinea pig pancreas by using [125I]-BH-CCK-8 as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50007975
PNG
(3-[2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CC(C)(C)NC(=O)NCCCC[C@H](NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C40H56N8O9/c1-39(2,3)48-37(55)42-19-13-12-18-28(34(52)46-31(22-32(49)50)36(54)45-29(33(41)51)20-24-14-8-7-9-15-24)44-35(53)30(47-38(56)57-40(4,5)6)21-25-23-43-27-17-11-10-16-26(25)27/h7-11,14-17,23,28-31,43H,12-13,18-22H2,1-6H3,(H2,41,51)(H,44,53)(H,45,54)(H,46,52)(H,47,56)(H,49,50)(H2,42,48,55)/t28-,29?,30?,31?/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Cholecystokinin type A receptor in guinea pig pancreas by using [125I]-BH-CCK-8 as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50007992
PNG
(3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CC(C)(C)OC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccc(cc1)C(F)(F)F)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C43H51F3N8O9/c1-42(2,3)63-41(62)54-33(22-26-24-49-30-14-8-7-13-29(26)30)38(59)51-31(15-9-10-20-48-40(61)50-28-18-16-27(17-19-28)43(44,45)46)37(58)53-34(23-35(55)56)39(60)52-32(36(47)57)21-25-11-5-4-6-12-25/h4-8,11-14,16-19,24,31-34,49H,9-10,15,20-23H2,1-3H3,(H2,47,57)(H,51,59)(H,52,60)(H,53,58)(H,54,62)(H,55,56)(H2,48,50,61)/t31-,32?,33?,34?/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Cholecystokinin type A receptor in guinea pig pancreas by using [125I]-BH-CCK-8 as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50008003
PNG
(3-[2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES Cc1ccccc1NC(=S)NCCCC[C@H](NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C43H54N8O8S/c1-26-14-8-10-18-30(26)50-41(60)45-21-13-12-20-32(38(55)49-35(24-36(52)53)40(57)48-33(37(44)54)22-27-15-6-5-7-16-27)47-39(56)34(51-42(58)59-43(2,3)4)23-28-25-46-31-19-11-9-17-29(28)31/h5-11,14-19,25,32-35,46H,12-13,20-24H2,1-4H3,(H2,44,54)(H,47,56)(H,48,57)(H,49,55)(H,51,58)(H,52,53)(H2,45,50,60)/t32-,33?,34?,35?/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards cholecystokinin type A receptor in guinea pig pancreas by using [125I]-BH-CCK-8 as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50007997
PNG
(3-{6-(3-Benzyl-ureido)-2-[2-tert-butoxycarbonylami...)
Show SMILES CC(C)(C)OC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)NCc1ccccc1)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C43H54N8O9/c1-43(2,3)60-42(59)51-34(23-29-26-46-31-19-11-10-18-30(29)31)39(56)48-32(20-12-13-21-45-41(58)47-25-28-16-8-5-9-17-28)38(55)50-35(24-36(52)53)40(57)49-33(37(44)54)22-27-14-6-4-7-15-27/h4-11,14-19,26,32-35,46H,12-13,20-25H2,1-3H3,(H2,44,54)(H,48,56)(H,49,57)(H,50,55)(H,51,59)(H,52,53)(H2,45,47,58)/t32-,33?,34?,35?/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Cholecystokinin type A receptor in guinea pig pancreas by using [125I]-BH-CCK-8 as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50007985
PNG
(3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CC(C)(C)OC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=S)Nc1ccc(Cl)cc1)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C42H51ClN8O8S/c1-42(2,3)59-41(58)51-33(22-26-24-46-30-14-8-7-13-29(26)30)38(56)48-31(15-9-10-20-45-40(60)47-28-18-16-27(43)17-19-28)37(55)50-34(23-35(52)53)39(57)49-32(36(44)54)21-25-11-5-4-6-12-25/h4-8,11-14,16-19,24,31-34,46H,9-10,15,20-23H2,1-3H3,(H2,44,54)(H,48,56)(H,49,57)(H,50,55)(H,51,58)(H,52,53)(H2,45,47,60)/t31-,32?,33?,34?/m0/s1
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n/an/a 270n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Cholecystokinin type A receptor in guinea pig pancreas by using [125I]-BH-CCK-8 as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50007988
PNG
(3-[2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES Cc1ccccc1NC(=O)NCCC[C@H](NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C42H52N8O9/c1-25-13-8-10-17-29(25)49-40(57)44-20-12-19-31(37(54)48-34(23-35(51)52)39(56)47-32(36(43)53)21-26-14-6-5-7-15-26)46-38(55)33(50-41(58)59-42(2,3)4)22-27-24-45-30-18-11-9-16-28(27)30/h5-11,13-18,24,31-34,45H,12,19-23H2,1-4H3,(H2,43,53)(H,46,55)(H,47,56)(H,48,54)(H,50,58)(H,51,52)(H2,44,49,57)/t31-,32?,33?,34?/m0/s1
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n/an/a 650n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Cholecystokinin type A receptor in guinea pig pancreas by using [125I]-BH-CCK-8 as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50008002
PNG
(3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CC(C)(C)OC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccc(Cl)cc1)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C42H51ClN8O9/c1-42(2,3)60-41(59)51-33(22-26-24-46-30-14-8-7-13-29(26)30)38(56)48-31(15-9-10-20-45-40(58)47-28-18-16-27(43)17-19-28)37(55)50-34(23-35(52)53)39(57)49-32(36(44)54)21-25-11-5-4-6-12-25/h4-8,11-14,16-19,24,31-34,46H,9-10,15,20-23H2,1-3H3,(H2,44,54)(H,48,56)(H,49,57)(H,50,55)(H,51,59)(H,52,53)(H2,45,47,58)/t31-,32?,33?,34?/m0/s1
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n/an/a 770n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Cholecystokinin type B receptor in guinea pig cortex by using [125I]-BH-CCK-8 as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50007983
PNG
(3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES Cc1cccc(C)c1NC(=O)NCCCC[C@H](NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C44H56N8O9/c1-26-14-13-15-27(2)37(26)52-42(59)46-21-12-11-20-32(39(56)50-35(24-36(53)54)41(58)49-33(38(45)55)22-28-16-7-6-8-17-28)48-40(57)34(51-43(60)61-44(3,4)5)23-29-25-47-31-19-10-9-18-30(29)31/h6-10,13-19,25,32-35,47H,11-12,20-24H2,1-5H3,(H2,45,55)(H,48,57)(H,49,58)(H,50,56)(H,51,60)(H,53,54)(H2,46,52,59)/t32-,33?,34?,35?/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Cholecystokinin type A receptor in guinea pig pancreas by using [125I]-BH-CCK-8 as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50007992
PNG
(3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CC(C)(C)OC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccc(cc1)C(F)(F)F)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C43H51F3N8O9/c1-42(2,3)63-41(62)54-33(22-26-24-49-30-14-8-7-13-29(26)30)38(59)51-31(15-9-10-20-48-40(61)50-28-18-16-27(17-19-28)43(44,45)46)37(58)53-34(23-35(55)56)39(60)52-32(36(47)57)21-25-11-5-4-6-12-25/h4-8,11-14,16-19,24,31-34,49H,9-10,15,20-23H2,1-3H3,(H2,47,57)(H,51,59)(H,52,60)(H,53,58)(H,54,62)(H,55,56)(H2,48,50,61)/t31-,32?,33?,34?/m0/s1
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n/an/a 850n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Cholecystokinin type B receptor in guinea pig cortex by using [125I]-BH-CCK-8 as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50008000
PNG
(3-{(S)-2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3...)
Show SMILES CC(C)(C)OC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccccc1[N+]([O-])=O)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C42H51N9O11/c1-42(2,3)62-41(59)50-32(22-26-24-45-28-16-8-7-15-27(26)28)38(56)46-30(18-11-12-20-44-40(58)49-29-17-9-10-19-34(29)51(60)61)37(55)48-33(23-35(52)53)39(57)47-31(36(43)54)21-25-13-5-4-6-14-25/h4-10,13-17,19,24,30-33,45H,11-12,18,20-23H2,1-3H3,(H2,43,54)(H,46,56)(H,47,57)(H,48,55)(H,50,59)(H,52,53)(H2,44,49,58)/t30-,31?,32?,33?/m0/s1
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n/an/a 990n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Cholecystokinin type B receptor in guinea pig cortex by using [125I]-BH-CCK-8 as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50007989
PNG
(3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CC(C)(C)OC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(N)=O)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C36H48N8O9/c1-36(2,3)53-35(52)44-27(18-22-20-40-24-14-8-7-13-23(22)24)32(49)41-25(15-9-10-16-39-34(38)51)31(48)43-28(19-29(45)46)33(50)42-26(30(37)47)17-21-11-5-4-6-12-21/h4-8,11-14,20,25-28,40H,9-10,15-19H2,1-3H3,(H2,37,47)(H,41,49)(H,42,50)(H,43,48)(H,44,52)(H,45,46)(H3,38,39,51)/t25-,26?,27?,28?/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Cholecystokinin type B receptor in guinea pig cortex by using [125I]-BH-CCK-8 as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50007987
PNG
(3-[2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CC(C)(C)OC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccccc1)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C42H52N8O9/c1-42(2,3)59-41(58)50-33(23-27-25-45-30-19-11-10-18-29(27)30)38(55)47-31(20-12-13-21-44-40(57)46-28-16-8-5-9-17-28)37(54)49-34(24-35(51)52)39(56)48-32(36(43)53)22-26-14-6-4-7-15-26/h4-11,14-19,25,31-34,45H,12-13,20-24H2,1-3H3,(H2,43,53)(H,47,55)(H,48,56)(H,49,54)(H,50,58)(H,51,52)(H2,44,46,57)/t31-,32?,33?,34?/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards cholecystokinin type B receptor in guinea pig cortex by using [125I]-BH-CCK-8 as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50007980
PNG
(3-[(S)-2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3...)
Show SMILES Cc1ccc(NC(=O)NCCCC[C@H](NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)C(=O)NC(CC(O)=O)C(=O)NC(Cc2ccccc2)C(N)=O)cc1
Show InChI InChI=1S/C43H54N8O9/c1-26-17-19-29(20-18-26)47-41(58)45-21-11-10-16-32(38(55)50-35(24-36(52)53)40(57)49-33(37(44)54)22-27-12-6-5-7-13-27)48-39(56)34(51-42(59)60-43(2,3)4)23-28-25-46-31-15-9-8-14-30(28)31/h5-9,12-15,17-20,25,32-35,46H,10-11,16,21-24H2,1-4H3,(H2,44,54)(H,48,56)(H,49,57)(H,50,55)(H,51,59)(H,52,53)(H2,45,47,58)/t32-,33?,34?,35?/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards cholecystokinin type B receptor in guinea pig cortex by using [125I]-BH-CCK-8 as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50007986
PNG
(3-{(S)-6-[3-(3-Acetyl-phenyl)-ureido]-2-[2-tert-bu...)
Show SMILES CC(=O)c1cccc(NC(=O)NCCCC[C@H](NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)C(=O)NC(CC(O)=O)C(=O)NC(Cc2ccccc2)C(N)=O)c1
Show InChI InChI=1S/C44H54N8O10/c1-26(53)28-15-12-16-30(22-28)48-42(60)46-20-11-10-19-33(39(57)51-36(24-37(54)55)41(59)50-34(38(45)56)21-27-13-6-5-7-14-27)49-40(58)35(52-43(61)62-44(2,3)4)23-29-25-47-32-18-9-8-17-31(29)32/h5-9,12-18,22,25,33-36,47H,10-11,19-21,23-24H2,1-4H3,(H2,45,56)(H,49,58)(H,50,59)(H,51,57)(H,52,61)(H,54,55)(H2,46,48,60)/t33-,34?,35?,36?/m0/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards cholecystokinin type B receptor in guinea pig cortex by using [125I]-BH-CCK-8 as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50008001
PNG
(3-{6-[3-(2-Bromo-phenyl)-ureido]-2-[2-tert-butoxyc...)
Show SMILES CC(C)(C)OC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccccc1Br)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C42H51BrN8O9/c1-42(2,3)60-41(59)51-33(22-26-24-46-29-17-9-7-15-27(26)29)38(56)47-31(19-11-12-20-45-40(58)50-30-18-10-8-16-28(30)43)37(55)49-34(23-35(52)53)39(57)48-32(36(44)54)21-25-13-5-4-6-14-25/h4-10,13-18,24,31-34,46H,11-12,19-23H2,1-3H3,(H2,44,54)(H,47,56)(H,48,57)(H,49,55)(H,51,59)(H,52,53)(H2,45,50,58)/t31-,32?,33?,34?/m0/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Cholecystokinin type B receptor in guinea pig cortex by using [125I]-BH-CCK-8 as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50007925
PNG
((S)-3-[(S)-2-[(S)-2-tert-Butoxycarbonylamino-3-(1H...)
Show SMILES Cc1ccccc1NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C43H54N8O9/c1-26-14-8-10-18-30(26)50-41(58)45-21-13-12-20-32(38(55)49-35(24-36(52)53)40(57)48-33(37(44)54)22-27-15-6-5-7-16-27)47-39(56)34(51-42(59)60-43(2,3)4)23-28-25-46-31-19-11-9-17-29(28)31/h5-11,14-19,25,32-35,46H,12-13,20-24H2,1-4H3,(H2,44,54)(H,47,56)(H,48,57)(H,49,55)(H,51,59)(H,52,53)(H2,45,50,58)/t32-,33-,34-,35-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Cholecystokinin type B receptor in guinea pig cortex by using [125I]-BH-CCK-8 as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50008005
PNG
(3-(3-{(S)-5-[2-tert-Butoxycarbonylamino-3-(1H-indo...)
Show SMILES COC(=O)c1cccc(NC(=O)NCCCC[C@H](NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)C(=O)NC(CC(O)=O)C(=O)NC(Cc2ccccc2)C(N)=O)c1
Show InChI InChI=1S/C44H54N8O11/c1-44(2,3)63-43(61)52-34(23-28-25-47-31-18-9-8-17-30(28)31)39(57)49-32(19-10-11-20-46-42(60)48-29-16-12-15-27(22-29)41(59)62-4)38(56)51-35(24-36(53)54)40(58)50-33(37(45)55)21-26-13-6-5-7-14-26/h5-9,12-18,22,25,32-35,47H,10-11,19-21,23-24H2,1-4H3,(H2,45,55)(H,49,57)(H,50,58)(H,51,56)(H,52,61)(H,53,54)(H2,46,48,60)/t32-,33?,34?,35?/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards cholecystokinin type B receptor in guinea pig cortex by using [125I]-BH-CCK-8 as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50007990
PNG
(3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CC(C)(C)OC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccccc1C(F)(F)F)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C43H51F3N8O9/c1-42(2,3)63-41(62)54-33(22-26-24-49-29-17-9-7-15-27(26)29)38(59)50-31(19-11-12-20-48-40(61)53-30-18-10-8-16-28(30)43(44,45)46)37(58)52-34(23-35(55)56)39(60)51-32(36(47)57)21-25-13-5-4-6-14-25/h4-10,13-18,24,31-34,49H,11-12,19-23H2,1-3H3,(H2,47,57)(H,50,59)(H,51,60)(H,52,58)(H,54,62)(H,55,56)(H2,48,53,61)/t31-,32?,33?,34?/m0/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Cholecystokinin type B receptor in guinea pig cortex by using [125I]-BH-CCK-8 as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50007998
PNG
(3-[(S)-2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3...)
Show SMILES Cc1cccc(NC(=O)NCCCC[C@H](NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)C(=O)NC(CC(O)=O)C(=O)NC(Cc2ccccc2)C(N)=O)c1
Show InChI InChI=1S/C43H54N8O9/c1-26-13-12-16-29(21-26)47-41(58)45-20-11-10-19-32(38(55)50-35(24-36(52)53)40(57)49-33(37(44)54)22-27-14-6-5-7-15-27)48-39(56)34(51-42(59)60-43(2,3)4)23-28-25-46-31-18-9-8-17-30(28)31/h5-9,12-18,21,25,32-35,46H,10-11,19-20,22-24H2,1-4H3,(H2,44,54)(H,48,56)(H,49,57)(H,50,55)(H,51,59)(H,52,53)(H2,45,47,58)/t32-,33?,34?,35?/m0/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards cholecystokinin type B receptor in guinea pig cortex by using [125I]-BH-CCK-8 as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50007994
PNG
(3-{(S)-2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3...)
Show SMILES CC(C)(C)OC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccccc1Cl)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C42H51ClN8O9/c1-42(2,3)60-41(59)51-33(22-26-24-46-29-17-9-7-15-27(26)29)38(56)47-31(19-11-12-20-45-40(58)50-30-18-10-8-16-28(30)43)37(55)49-34(23-35(52)53)39(57)48-32(36(44)54)21-25-13-5-4-6-14-25/h4-10,13-18,24,31-34,46H,11-12,19-23H2,1-3H3,(H2,44,54)(H,47,56)(H,48,57)(H,49,55)(H,51,59)(H,52,53)(H2,45,50,58)/t31-,32?,33?,34?/m0/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Cholecystokinin type B receptor in guinea pig cortex by using [125I]-BH-CCK-8 as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50008003
PNG
(3-[2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES Cc1ccccc1NC(=S)NCCCC[C@H](NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C43H54N8O8S/c1-26-14-8-10-18-30(26)50-41(60)45-21-13-12-20-32(38(55)49-35(24-36(52)53)40(57)48-33(37(44)54)22-27-15-6-5-7-16-27)47-39(56)34(51-42(58)59-43(2,3)4)23-28-25-46-31-19-11-9-17-29(28)31/h5-11,14-19,25,32-35,46H,12-13,20-24H2,1-4H3,(H2,44,54)(H,47,56)(H,48,57)(H,49,55)(H,51,58)(H,52,53)(H2,45,50,60)/t32-,33?,34?,35?/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards cholecystokinin type B receptor in guinea pig cortex by using [125I]-BH-CCK-8 as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50007976
PNG
(3-[2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES Cc1ccccc1NC(=O)NCCCCC[C@H](NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C44H56N8O9/c1-27-15-10-12-19-31(27)51-42(59)46-22-14-6-9-21-33(39(56)50-36(25-37(53)54)41(58)49-34(38(45)55)23-28-16-7-5-8-17-28)48-40(57)35(52-43(60)61-44(2,3)4)24-29-26-47-32-20-13-11-18-30(29)32/h5,7-8,10-13,15-20,26,33-36,47H,6,9,14,21-25H2,1-4H3,(H2,45,55)(H,48,57)(H,49,58)(H,50,56)(H,52,60)(H,53,54)(H2,46,51,59)/t33-,34?,35?,36?/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Cholecystokinin type B receptor in guinea pig cortex by using [125I]-BH-CCK-8 as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50007982
PNG
(3-[2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CC(C)(C)OC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)NC1CCCCC1)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C42H58N8O9/c1-42(2,3)59-41(58)50-33(23-27-25-45-30-19-11-10-18-29(27)30)38(55)47-31(20-12-13-21-44-40(57)46-28-16-8-5-9-17-28)37(54)49-34(24-35(51)52)39(56)48-32(36(43)53)22-26-14-6-4-7-15-26/h4,6-7,10-11,14-15,18-19,25,28,31-34,45H,5,8-9,12-13,16-17,20-24H2,1-3H3,(H2,43,53)(H,47,55)(H,48,56)(H,49,54)(H,50,58)(H,51,52)(H2,44,46,57)/t31-,32?,33?,34?/m0/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Cholecystokinin type B receptor in guinea pig cortex by using [125I]-BH-CCK-8 as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50008007
PNG
(3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CC(C)(C)OC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1cccc(Cl)c1)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C42H51ClN8O9/c1-42(2,3)60-41(59)51-33(21-26-24-46-30-17-8-7-16-29(26)30)38(56)48-31(18-9-10-19-45-40(58)47-28-15-11-14-27(43)22-28)37(55)50-34(23-35(52)53)39(57)49-32(36(44)54)20-25-12-5-4-6-13-25/h4-8,11-17,22,24,31-34,46H,9-10,18-21,23H2,1-3H3,(H2,44,54)(H,48,56)(H,49,57)(H,50,55)(H,51,59)(H,52,53)(H2,45,47,58)/t31-,32?,33?,34?/m0/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Cholecystokinin type B receptor in guinea pig cortex by using [125I]-BH-CCK-8 as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50007993
PNG
(3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CC(C)(C)OC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccc(Cl)cc1Cl)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C42H50Cl2N8O9/c1-42(2,3)61-41(60)52-33(20-25-23-47-29-14-8-7-13-27(25)29)38(57)48-31(15-9-10-18-46-40(59)51-30-17-16-26(43)21-28(30)44)37(56)50-34(22-35(53)54)39(58)49-32(36(45)55)19-24-11-5-4-6-12-24/h4-8,11-14,16-17,21,23,31-34,47H,9-10,15,18-20,22H2,1-3H3,(H2,45,55)(H,48,57)(H,49,58)(H,50,56)(H,52,60)(H,53,54)(H2,46,51,59)/t31-,32?,33?,34?/m0/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards cholecystokinin type B receptor in guinea pig cortex by using [125I]-BH-CCK-8 as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50007981
PNG
(3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CC(C)(C)OC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=S)Nc1ccccc1Cl)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C42H51ClN8O8S/c1-42(2,3)59-41(58)51-33(22-26-24-46-29-17-9-7-15-27(26)29)38(56)47-31(19-11-12-20-45-40(60)50-30-18-10-8-16-28(30)43)37(55)49-34(23-35(52)53)39(57)48-32(36(44)54)21-25-13-5-4-6-14-25/h4-10,13-18,24,31-34,46H,11-12,19-23H2,1-3H3,(H2,44,54)(H,47,56)(H,48,57)(H,49,55)(H,51,58)(H,52,53)(H2,45,50,60)/t31-,32?,33?,34?/m0/s1
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n/an/a 2.90E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Cholecystokinin type B receptor in guinea pig cortex by using [125I]-BH-CCK-8 as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50007984
PNG
(3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CC(C)(C)OC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1cccc(c1)C(F)(F)F)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C43H51F3N8O9/c1-42(2,3)63-41(62)54-33(21-26-24-49-30-17-8-7-16-29(26)30)38(59)51-31(18-9-10-19-48-40(61)50-28-15-11-14-27(22-28)43(44,45)46)37(58)53-34(23-35(55)56)39(60)52-32(36(47)57)20-25-12-5-4-6-13-25/h4-8,11-17,22,24,31-34,49H,9-10,18-21,23H2,1-3H3,(H2,47,57)(H,51,59)(H,52,60)(H,53,58)(H,54,62)(H,55,56)(H2,48,50,61)/t31-,32?,33?,34?/m0/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Cholecystokinin type B receptor in guinea pig cortex by using [125I]-BH-CCK-8 as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50007978
PNG
(3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CC(C)(C)OC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1cccc(Cl)c1Cl)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C42H50Cl2N8O9/c1-42(2,3)61-41(60)52-32(21-25-23-47-28-16-8-7-14-26(25)28)38(57)48-30(17-9-10-19-46-40(59)51-29-18-11-15-27(43)35(29)44)37(56)50-33(22-34(53)54)39(58)49-31(36(45)55)20-24-12-5-4-6-13-24/h4-8,11-16,18,23,30-33,47H,9-10,17,19-22H2,1-3H3,(H2,45,55)(H,48,57)(H,49,58)(H,50,56)(H,52,60)(H,53,54)(H2,46,51,59)/t30-,31?,32?,33?/m0/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards cholecystokinin type B receptor in guinea pig cortex by using [125I]-BH-CCK-8 as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50008006
PNG
(2-(3-{(S)-5-[2-tert-Butoxycarbonylamino-3-(1H-indo...)
Show SMILES COC(=O)c1ccccc1NC(=O)NCCCC[C@H](NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C44H54N8O11/c1-44(2,3)63-43(61)52-34(23-27-25-47-30-18-10-8-16-28(27)30)39(57)48-32(20-12-13-21-46-42(60)51-31-19-11-9-17-29(31)41(59)62-4)38(56)50-35(24-36(53)54)40(58)49-33(37(45)55)22-26-14-6-5-7-15-26/h5-11,14-19,25,32-35,47H,12-13,20-24H2,1-4H3,(H2,45,55)(H,48,57)(H,49,58)(H,50,56)(H,52,61)(H,53,54)(H2,46,51,60)/t32-,33?,34?,35?/m0/s1
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n/an/a 3.10E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Cholecystokinin type B receptor in guinea pig cortex by using [125I]-BH-CCK-8 as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50008004
PNG
(3-[2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CC(C)(C)OC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccc2ccccc2c1)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C46H54N8O9/c1-46(2,3)63-45(62)54-37(25-31-27-49-34-18-10-9-17-33(31)34)42(59)51-35(19-11-12-22-48-44(61)50-32-21-20-29-15-7-8-16-30(29)24-32)41(58)53-38(26-39(55)56)43(60)52-36(40(47)57)23-28-13-5-4-6-14-28/h4-10,13-18,20-21,24,27,35-38,49H,11-12,19,22-23,25-26H2,1-3H3,(H2,47,57)(H,51,59)(H,52,60)(H,53,58)(H,54,62)(H,55,56)(H2,48,50,61)/t35-,36?,37?,38?/m0/s1
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n/an/a 3.20E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Cholecystokinin type B receptor in guinea pig cortex by using [125I]-BH-CCK-8 as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50007997
PNG
(3-{6-(3-Benzyl-ureido)-2-[2-tert-butoxycarbonylami...)
Show SMILES CC(C)(C)OC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)NCc1ccccc1)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C43H54N8O9/c1-43(2,3)60-42(59)51-34(23-29-26-46-31-19-11-10-18-30(29)31)39(56)48-32(20-12-13-21-45-41(58)47-25-28-16-8-5-9-17-28)38(55)50-35(24-36(52)53)40(57)49-33(37(44)54)22-27-14-6-4-7-15-27/h4-11,14-19,26,32-35,46H,12-13,20-25H2,1-3H3,(H2,44,54)(H,48,56)(H,49,57)(H,50,55)(H,51,59)(H,52,53)(H2,45,47,58)/t32-,33?,34?,35?/m0/s1
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n/an/a 3.30E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Cholecystokinin type B receptor in guinea pig cortex by using [125I]-BH-CCK-8 as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50007979
PNG
(3-{(S)-2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3...)
Show SMILES COc1ccccc1NC(=O)NCCCC[C@H](NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C43H54N8O10/c1-43(2,3)61-42(59)51-33(23-27-25-46-29-17-9-8-16-28(27)29)39(56)47-31(19-12-13-21-45-41(58)50-30-18-10-11-20-35(30)60-4)38(55)49-34(24-36(52)53)40(57)48-32(37(44)54)22-26-14-6-5-7-15-26/h5-11,14-18,20,25,31-34,46H,12-13,19,21-24H2,1-4H3,(H2,44,54)(H,47,56)(H,48,57)(H,49,55)(H,51,59)(H,52,53)(H2,45,50,58)/t31-,32?,33?,34?/m0/s1
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n/an/a 3.40E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Cholecystokinin type B receptor in guinea pig cortex by using [125I]-BH-CCK-8 as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50007985
PNG
(3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CC(C)(C)OC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=S)Nc1ccc(Cl)cc1)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C42H51ClN8O8S/c1-42(2,3)59-41(58)51-33(22-26-24-46-30-14-8-7-13-29(26)30)38(56)48-31(15-9-10-20-45-40(60)47-28-18-16-27(43)17-19-28)37(55)50-34(23-35(52)53)39(57)49-32(36(44)54)21-25-11-5-4-6-12-25/h4-8,11-14,16-19,24,31-34,46H,9-10,15,20-23H2,1-3H3,(H2,44,54)(H,48,56)(H,49,57)(H,50,55)(H,51,58)(H,52,53)(H2,45,47,60)/t31-,32?,33?,34?/m0/s1
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n/an/a 3.70E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Cholecystokinin type B receptor in guinea pig cortex by using [125I]-BH-CCK-8 as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50007975
PNG
(3-[2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CC(C)(C)NC(=O)NCCCC[C@H](NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C40H56N8O9/c1-39(2,3)48-37(55)42-19-13-12-18-28(34(52)46-31(22-32(49)50)36(54)45-29(33(41)51)20-24-14-8-7-9-15-24)44-35(53)30(47-38(56)57-40(4,5)6)21-25-23-43-27-17-11-10-16-26(25)27/h7-11,14-17,23,28-31,43H,12-13,18-22H2,1-6H3,(H2,41,51)(H,44,53)(H,45,54)(H,46,52)(H,47,56)(H,49,50)(H2,42,48,55)/t28-,29?,30?,31?/m0/s1
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n/an/a 5.60E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Cholecystokinin type B receptor in guinea pig cortex by using [125I]-BH-CCK-8 as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50007996
PNG
(3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CC(C)c1ccccc1NC(=O)NCCCC[C@H](NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C45H58N8O9/c1-27(2)30-17-9-12-20-33(30)52-43(60)47-22-14-13-21-34(40(57)51-37(25-38(54)55)42(59)50-35(39(46)56)23-28-15-7-6-8-16-28)49-41(58)36(53-44(61)62-45(3,4)5)24-29-26-48-32-19-11-10-18-31(29)32/h6-12,15-20,26-27,34-37,48H,13-14,21-25H2,1-5H3,(H2,46,56)(H,49,58)(H,50,59)(H,51,57)(H,53,61)(H,54,55)(H2,47,52,60)/t34-,35?,36?,37?/m0/s1
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n/an/a 5.70E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Cholecystokinin type B receptor in guinea pig cortex by using [125I]-BH-CCK-8 as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50007991
PNG
(3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CC(C)(C)OC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1c(Cl)cccc1Cl)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C42H50Cl2N8O9/c1-42(2,3)61-41(60)51-32(21-25-23-47-29-17-8-7-14-26(25)29)38(57)48-30(18-9-10-19-46-40(59)52-35-27(43)15-11-16-28(35)44)37(56)50-33(22-34(53)54)39(58)49-31(36(45)55)20-24-12-5-4-6-13-24/h4-8,11-17,23,30-33,47H,9-10,18-22H2,1-3H3,(H2,45,55)(H,48,57)(H,49,58)(H,50,56)(H,51,60)(H,53,54)(H2,46,52,59)/t30-,31?,32?,33?/m0/s1
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n/an/a 7.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Cholecystokinin type B receptor in guinea pig cortex by using [125I]-BH-CCK-8 as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50007977
PNG
(3-[2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CC(C)(C)OC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1cccc2ccccc12)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C46H54N8O9/c1-46(2,3)63-45(62)54-37(25-30-27-49-33-20-10-9-19-32(30)33)42(59)50-35(21-11-12-23-48-44(61)53-34-22-13-17-29-16-7-8-18-31(29)34)41(58)52-38(26-39(55)56)43(60)51-36(40(47)57)24-28-14-5-4-6-15-28/h4-10,13-20,22,27,35-38,49H,11-12,21,23-26H2,1-3H3,(H2,47,57)(H,50,59)(H,51,60)(H,52,58)(H,54,62)(H,55,56)(H2,48,53,61)/t35-,36?,37?,38?/m0/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Cholecystokinin type B receptor in guinea pig cortex by using [125I]-BH-CCK-8 as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50007989
PNG
(3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CC(C)(C)OC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(N)=O)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C36H48N8O9/c1-36(2,3)53-35(52)44-27(18-22-20-40-24-14-8-7-13-23(22)24)32(49)41-25(15-9-10-16-39-34(38)51)31(48)43-28(19-29(45)46)33(50)42-26(30(37)47)17-21-11-5-4-6-12-21/h4-8,11-14,20,25-28,40H,9-10,15-19H2,1-3H3,(H2,37,47)(H,41,49)(H,42,50)(H,43,48)(H,44,52)(H,45,46)(H3,38,39,51)/t25-,26?,27?,28?/m0/s1
MMDB

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n/an/a 1.20E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Cholecystokinin type A receptor in guinea pig pancreas by using [125I]-BH-CCK-8 as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50007988
PNG
(3-[2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES Cc1ccccc1NC(=O)NCCC[C@H](NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C42H52N8O9/c1-25-13-8-10-17-29(25)49-40(57)44-20-12-19-31(37(54)48-34(23-35(51)52)39(56)47-32(36(43)53)21-26-14-6-5-7-15-26)46-38(55)33(50-41(58)59-42(2,3)4)22-27-24-45-30-18-11-9-16-28(27)30/h5-11,13-18,24,31-34,45H,12,19-23H2,1-4H3,(H2,43,53)(H,46,55)(H,47,56)(H,48,54)(H,50,58)(H,51,52)(H2,44,49,57)/t31-,32?,33?,34?/m0/s1
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n/an/a 1.50E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Cholecystokinin type B receptor in guinea pig cortex by using [125I]-BH-CCK-8 as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50007983
PNG
(3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES Cc1cccc(C)c1NC(=O)NCCCC[C@H](NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C44H56N8O9/c1-26-14-13-15-27(2)37(26)52-42(59)46-21-12-11-20-32(39(56)50-35(24-36(53)54)41(58)49-33(38(45)55)22-28-16-7-6-8-17-28)48-40(57)34(51-43(60)61-44(3,4)5)23-29-25-47-31-19-10-9-18-30(29)31/h6-10,13-19,25,32-35,47H,11-12,20-24H2,1-5H3,(H2,45,55)(H,48,57)(H,49,58)(H,50,56)(H,51,60)(H,53,54)(H2,46,52,59)/t32-,33?,34?,35?/m0/s1
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n/an/a 2.50E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Cholecystokinin type B receptor in guinea pig cortex by using [125I]-BH-CCK-8 as radioligand


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%