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PubMed code 1700123

Compile data set for download or QSAR
Found 26 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)
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 0.400n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-CCK-8 from Cholecystokinin type A receptor in guinea pig pancreas


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


(Cavia porcellus)
BDBM50040523
PNG
((S)-3-{[(S)-2-[(S)-2-tert-Butoxycarbonylamino-3-(1...)
Show SMILES CN([C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(=O)[C@H](CCCCNC(=O)Nc1ccccc1C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C44H56N8O9/c1-27-15-9-11-19-31(27)50-42(59)46-22-14-13-21-33(41(58)52(5)36(25-37(53)54)40(57)49-34(38(45)55)23-28-16-7-6-8-17-28)48-39(56)35(51-43(60)61-44(2,3)4)24-29-26-47-32-20-12-10-18-30(29)32/h6-12,15-20,26,33-36,47H,13-14,21-25H2,1-5H3,(H2,45,55)(H,48,56)(H,49,57)(H,51,60)(H,53,54)(H2,46,50,59)/t33-,34-,35-,36-/m0/s1
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n/an/a 3.70n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-CCK-8 from Cholecystokinin type A receptor in guinea pig pancreas


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


(Cavia porcellus)
BDBM50007916
PNG
(3-{1-[1-aminobutyl oxycarbonylamino-2-(1H-3-indoly...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccccc1Cl)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](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 3.80n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-CCK-8 from Cholecystokinin type A receptor in guinea pig pancreas


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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n/an/a 3.80n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-CCK-8 from Cholecystokinin type A receptor in guinea pig pancreas


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin 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 8.20n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-CCK-8 from Cholecystokinin type B receptor of guinea pig cortex


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


(Cavia porcellus)
BDBM50007917
PNG
(3-{1-[1-aminobutyl oxycarbonylamino-2-(1H-3-indoly...)
Show SMILES Cc1cccc(NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](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
Displacement of [125I]BH-CCK-8 from Cholecystokinin type A receptor in guinea pig pancreas


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


(Cavia porcellus)
BDBM50007919
PNG
(3-{1-[1-aminobutyl oxycarbonylamino-2-(1H-3-indoly...)
Show SMILES COc1ccccc1NC(=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/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 23n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-CCK-8 from Cholecystokinin type A receptor in guinea pig pancreas


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


(Homo sapiens (human))
BDBM50002477
PNG
((S)-3-{(S)-2-[(S)-2-tert-Butoxycarbonylamino-3-(1H...)
Show SMILES CSCC[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/C34H44N6O8S/c1-34(2,3)48-33(47)40-26(17-21-19-36-23-13-9-8-12-22(21)23)31(45)37-24(14-15-49-4)30(44)39-27(18-28(41)42)32(46)38-25(29(35)43)16-20-10-6-5-7-11-20/h5-13,19,24-27,36H,14-18H2,1-4H3,(H2,35,43)(H,37,45)(H,38,46)(H,39,44)(H,40,47)(H,41,42)/t24-,25-,26-,27-/m0/s1
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n/an/a 25n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-CCK-8 from Cholecystokinin type B receptor of guinea pig cortex


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


(Cavia porcellus)
BDBM50007918
PNG
(3-{1-[1-aminobutyl oxycarbonylamino-2-(1H-3-indoly...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](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 26n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-CCK-8 from Cholecystokinin type A receptor in guinea pig pancreas


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


(Cavia porcellus)
BDBM50007922
PNG
(3-{1-[1-aminobutyl oxycarbonylamino-2-(1H-3-indoly...)
Show SMILES Cc1ccc(NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](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 53n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-CCK-8 from Cholecystokinin type A receptor in guinea pig pancreas


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


(Homo sapiens (human))
BDBM50007921
PNG
(3-{2-[2-(2-{2-[2-(2-Amino-3-carboxy-propionylamino...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(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/C49H62N10O13S2/c1-73-18-16-34(55-47(70)37(21-28-12-14-30(60)15-13-28)58-44(67)32(50)23-41(62)63)45(68)53-26-40(61)54-38(22-29-25-52-33-11-7-6-10-31(29)33)48(71)56-35(17-19-74-2)46(69)59-39(24-42(64)65)49(72)57-36(43(51)66)20-27-8-4-3-5-9-27/h3-15,25,32,34-39,52,60H,16-24,26,50H2,1-2H3,(H2,51,66)(H,53,68)(H,54,61)(H,55,70)(H,56,71)(H,57,72)(H,58,67)(H,59,69)(H,62,63)(H,64,65)/t32-,34-,35-,36-,37-,38-,39-/m0/s1
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n/an/a 170n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-CCK-8 from Cholecystokinin type B receptor of guinea pig cortex


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


(Cavia porcellus)
BDBM50007921
PNG
(3-{2-[2-(2-{2-[2-(2-Amino-3-carboxy-propionylamino...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(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/C49H62N10O13S2/c1-73-18-16-34(55-47(70)37(21-28-12-14-30(60)15-13-28)58-44(67)32(50)23-41(62)63)45(68)53-26-40(61)54-38(22-29-25-52-33-11-7-6-10-31(29)33)48(71)56-35(17-19-74-2)46(69)59-39(24-42(64)65)49(72)57-36(43(51)66)20-27-8-4-3-5-9-27/h3-15,25,32,34-39,52,60H,16-24,26,50H2,1-2H3,(H2,51,66)(H,53,68)(H,54,61)(H,55,70)(H,56,71)(H,57,72)(H,58,67)(H,59,69)(H,62,63)(H,64,65)/t32-,34-,35-,36-,37-,38-,39-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-CCK-8 from Cholecystokinin type A receptor in guinea pig pancreas


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


(Cavia porcellus)
BDBM50007923
PNG
(3-[5-aminocarboxybenzyl-1-[2-(1H-3-indolyl)-1-buty...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C43H53N7O10/c1-43(2,3)60-42(58)50-34(23-29-25-46-31-19-11-10-18-30(29)31)39(55)47-32(20-12-13-21-45-41(57)59-26-28-16-8-5-9-17-28)38(54)49-35(24-36(51)52)40(56)48-33(37(44)53)22-27-14-6-4-7-15-27/h4-11,14-19,25,32-35,46H,12-13,20-24,26H2,1-3H3,(H2,44,53)(H,45,57)(H,47,55)(H,48,56)(H,49,54)(H,50,58)(H,51,52)/t32-,33-,34-,35-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-CCK-8 from Cholecystokinin type A receptor in guinea pig pancreas


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


(Cavia porcellus)
BDBM50007924
PNG
(3-{1-[1-aminobutyl oxycarbonylamino-2-(1H-3-indoly...)
Show SMILES Cc1cccc(C)c1NC(=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/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 930n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-CCK-8 from Cholecystokinin type A receptor in guinea pig pancreas


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


(Homo sapiens (human))
BDBM50007918
PNG
(3-{1-[1-aminobutyl oxycarbonylamino-2-(1H-3-indoly...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](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
Displacement of [125I]BH-CCK-8 from Cholecystokinin type B receptor of guinea pig cortex


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


(Homo sapiens (human))
BDBM50007922
PNG
(3-{1-[1-aminobutyl oxycarbonylamino-2-(1H-3-indoly...)
Show SMILES Cc1ccc(NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](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
Displacement of [125I]BH-CCK-8 from Cholecystokinin type B receptor of guinea pig cortex


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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n/an/a 1.50E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-CCK-8 from Cholecystokinin type B receptor of guinea pig cortex


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


(Cavia porcellus)
BDBM50002477
PNG
((S)-3-{(S)-2-[(S)-2-tert-Butoxycarbonylamino-3-(1H...)
Show SMILES CSCC[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/C34H44N6O8S/c1-34(2,3)48-33(47)40-26(17-21-19-36-23-13-9-8-12-22(21)23)31(45)37-24(14-15-49-4)30(44)39-27(18-28(41)42)32(46)38-25(29(35)43)16-20-10-6-5-7-11-20/h5-13,19,24-27,36H,14-18H2,1-4H3,(H2,35,43)(H,37,45)(H,38,46)(H,39,44)(H,40,47)(H,41,42)/t24-,25-,26-,27-/m0/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-CCK-8 from Cholecystokinin type A receptor in guinea pig pancreas


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


(Homo sapiens (human))
BDBM50007916
PNG
(3-{1-[1-aminobutyl oxycarbonylamino-2-(1H-3-indoly...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccccc1Cl)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](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
Displacement of [125I]BH-CCK-8 from Cholecystokinin type B receptor of guinea pig cortex


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


(Homo sapiens (human))
BDBM50007926
PNG
(3-{1-[1-aminobutyl oxycarbonylamino-2-(1H-3-indoly...)
Show SMILES CC(=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/C37H49N7O9/c1-22(45)39-17-11-10-16-27(33(49)43-30(20-31(46)47)35(51)42-28(32(38)48)18-23-12-6-5-7-13-23)41-34(50)29(44-36(52)53-37(2,3)4)19-24-21-40-26-15-9-8-14-25(24)26/h5-9,12-15,21,27-30,40H,10-11,16-20H2,1-4H3,(H2,38,48)(H,39,45)(H,41,50)(H,42,51)(H,43,49)(H,44,52)(H,46,47)/t27-,28-,29-,30-/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
Displacement of [125I]BH-CCK-8 from Cholecystokinin type B receptor of guinea pig cortex


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


(Homo sapiens (human))
BDBM50007917
PNG
(3-{1-[1-aminobutyl oxycarbonylamino-2-(1H-3-indoly...)
Show SMILES Cc1cccc(NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](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
Displacement of [125I]BH-CCK-8 from Cholecystokinin type B receptor of guinea pig cortex


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


(Homo sapiens (human))
BDBM50007919
PNG
(3-{1-[1-aminobutyl oxycarbonylamino-2-(1H-3-indoly...)
Show SMILES COc1ccccc1NC(=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/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 3.80E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-CCK-8 from Cholecystokinin type B receptor of guinea pig cortex


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


(Homo sapiens (human))
BDBM50040523
PNG
((S)-3-{[(S)-2-[(S)-2-tert-Butoxycarbonylamino-3-(1...)
Show SMILES CN([C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(=O)[C@H](CCCCNC(=O)Nc1ccccc1C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C44H56N8O9/c1-27-15-9-11-19-31(27)50-42(59)46-22-14-13-21-33(41(58)52(5)36(25-37(53)54)40(57)49-34(38(45)55)23-28-16-7-6-8-17-28)48-39(56)35(51-43(60)61-44(2,3)4)24-29-26-47-32-20-12-10-18-30(29)32/h6-12,15-20,26,33-36,47H,13-14,21-25H2,1-5H3,(H2,45,55)(H,48,56)(H,49,57)(H,51,60)(H,53,54)(H2,46,50,59)/t33-,34-,35-,36-/m0/s1
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n/an/a 4.50E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-CCK-8 from Cholecystokinin type B receptor of guinea pig cortex


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


(Homo sapiens (human))
BDBM50007923
PNG
(3-[5-aminocarboxybenzyl-1-[2-(1H-3-indolyl)-1-buty...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C43H53N7O10/c1-43(2,3)60-42(58)50-34(23-29-25-46-31-19-11-10-18-30(29)31)39(55)47-32(20-12-13-21-45-41(57)59-26-28-16-8-5-9-17-28)38(54)49-35(24-36(51)52)40(56)48-33(37(44)53)22-27-14-6-4-7-15-27/h4-11,14-19,25,32-35,46H,12-13,20-24,26H2,1-3H3,(H2,44,53)(H,45,57)(H,47,55)(H,48,56)(H,49,54)(H,50,58)(H,51,52)/t32-,33-,34-,35-/m0/s1
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n/an/a 4.90E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-CCK-8 from Cholecystokinin type B receptor of guinea pig cortex


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


(Cavia porcellus)
BDBM50007926
PNG
(3-{1-[1-aminobutyl oxycarbonylamino-2-(1H-3-indoly...)
Show SMILES CC(=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/C37H49N7O9/c1-22(45)39-17-11-10-16-27(33(49)43-30(20-31(46)47)35(51)42-28(32(38)48)18-23-12-6-5-7-13-23)41-34(50)29(44-36(52)53-37(2,3)4)19-24-21-40-26-15-9-8-14-25(24)26/h5-9,12-15,21,27-30,40H,10-11,16-20H2,1-4H3,(H2,38,48)(H,39,45)(H,41,50)(H,42,51)(H,43,49)(H,44,52)(H,46,47)/t27-,28-,29-,30-/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
Displacement of [125I]BH-CCK-8 from Cholecystokinin type A receptor in guinea pig pancreas


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


(Homo sapiens (human))
BDBM50007924
PNG
(3-{1-[1-aminobutyl oxycarbonylamino-2-(1H-3-indoly...)
Show SMILES Cc1cccc(C)c1NC(=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/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 2.70E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-CCK-8 from Cholecystokinin type B receptor of guinea pig cortex


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