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Compile Data Set for Download or QSAR

Found 16 hits Enz. Inhib. hit(s) with all data for entry = 50029133   
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))
BDBM50281664
PNG
(CHEMBL262894 | p-Tyr(SO3Na)-gNle-mGly-Trp-(N-Me)Nl...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](N)Cc1ccc(OS([O-])(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C47H61N9O13S/c1-3-5-15-35(53-43(61)33(48)22-29-18-20-31(21-19-29)69-70(66,67)68)44(62)51-27-40(57)52-38(24-30-26-50-34-17-11-10-14-32(30)34)46(64)54-36(16-6-4-2)45(63)56-39(25-41(58)59)47(65)55-37(42(49)60)23-28-12-8-7-9-13-28/h7-14,17-21,26,33,35-39,50H,3-6,15-16,22-25,27,48H2,1-2H3,(H2,49,60)(H,51,62)(H,52,57)(H,53,61)(H,54,64)(H,55,65)(H,56,63)(H,58,59)(H,66,67,68)/p-1/t33-,35-,36-,37-,38-,39-/m0/s1
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0.0600n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the inhibition of [3H]-pCCK-8 to Cholecystokinin type B receptor in guinea pig brain


Bioorg Med Chem Lett 3: 847-850 (1993)


Article DOI: 10.1016/S0960-894X(00)80678-2
BindingDB Entry DOI: 10.7270/Q2P26Z28
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50016504
PNG
((S)-3-(2-{[(S)-2-(2-{2-[2-tert-Butoxycarbonylamino...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS([O-])(=O)=O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C52H69N9O15S/c1-6-8-18-37(57-48(68)40(61-51(71)75-52(3,4)5)26-32-21-23-34(24-22-32)76-77(72,73)74)46(66)55-30-43(62)56-41(27-33-29-54-36-20-14-13-17-35(33)36)49(69)58-38(19-9-7-2)47(67)60-42(28-44(63)64)50(70)59-39(45(53)65)25-31-15-11-10-12-16-31/h10-17,20-24,29,37-42,54H,6-9,18-19,25-28,30H2,1-5H3,(H2,53,65)(H,55,66)(H,56,62)(H,57,68)(H,58,69)(H,59,70)(H,60,67)(H,61,71)(H,63,64)(H,72,73,74)/p-1/t37-,38-,39-,40-,41-,42-/m0/s1
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0.150n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the inhibition of [3H]-pCCK-8 binding to Cholecystokinin type B receptor in guinea pig brain


Bioorg Med Chem Lett 3: 847-850 (1993)


Article DOI: 10.1016/S0960-894X(00)80678-2
BindingDB Entry DOI: 10.7270/Q2P26Z28
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50281665
PNG
(Boc-Phe(CH2-SO3Na)-gNle-mCIy-Trp-(N-Me)Nle-Asp-Phe...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(CS([O-])(=O)=O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C53H71N9O14S/c1-6-8-18-38(58-49(69)41(62-52(72)76-53(3,4)5)26-33-21-23-34(24-22-33)31-77(73,74)75)47(67)56-30-44(63)57-42(27-35-29-55-37-20-14-13-17-36(35)37)50(70)59-39(19-9-7-2)48(68)61-43(28-45(64)65)51(71)60-40(46(54)66)25-32-15-11-10-12-16-32/h10-17,20-24,29,38-43,55H,6-9,18-19,25-28,30-31H2,1-5H3,(H2,54,66)(H,56,67)(H,57,63)(H,58,69)(H,59,70)(H,60,71)(H,61,68)(H,62,72)(H,64,65)(H,73,74,75)/p-1/t38-,39-,40-,41-,42-,43-/m0/s1
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0.460n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the inhibition of [3H]-pCCK-8 to Cholecystokinin type B receptor in guinea pig brain


Bioorg Med Chem Lett 3: 847-850 (1993)


Article DOI: 10.1016/S0960-894X(00)80678-2
BindingDB Entry DOI: 10.7270/Q2P26Z28
More data for this
Ligand-Target Pair
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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0.640n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the inhibition of [3H]-pCCK-8 binding to Cholecystokinin type B receptor in guinea pig brain


Bioorg Med Chem Lett 3: 847-850 (1993)


Article DOI: 10.1016/S0960-894X(00)80678-2
BindingDB Entry DOI: 10.7270/Q2P26Z28
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(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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0.640n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the inhibition of [3H]-pCCK-8 binding to Cholecystokinin type A receptor in pancreatic membranes of guinea-pig


Bioorg Med Chem Lett 3: 847-850 (1993)


Article DOI: 10.1016/S0960-894X(00)80678-2
BindingDB Entry DOI: 10.7270/Q2P26Z28
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(RAT)
BDBM50281669
PNG
(Boc-Trp-Phg-Asp-1Nal-NH2 | CHEMBL353862)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O)c1ccccc1
Show InChI InChI=1S/C41H44N6O8/c1-41(2,3)55-40(54)46-32(21-27-23-43-30-19-10-9-18-29(27)30)38(52)47-35(25-13-5-4-6-14-25)39(53)45-33(22-34(48)49)37(51)44-31(36(42)50)20-26-16-11-15-24-12-7-8-17-28(24)26/h4-19,23,31-33,35,43H,20-22H2,1-3H3,(H2,42,50)(H,44,51)(H,45,53)(H,46,54)(H,47,52)(H,48,49)/t31-,32-,33-,35-/m0/s1
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11n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the inhibition of [3H]-pCCK-8 binding to Merk CCK-B antagonist L365,260 receptor in rat brain membranes


Bioorg Med Chem Lett 3: 847-850 (1993)


Article DOI: 10.1016/S0960-894X(00)80678-2
BindingDB Entry DOI: 10.7270/Q2P26Z28
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50281669
PNG
(Boc-Trp-Phg-Asp-1Nal-NH2 | CHEMBL353862)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O)c1ccccc1
Show InChI InChI=1S/C41H44N6O8/c1-41(2,3)55-40(54)46-32(21-27-23-43-30-19-10-9-18-29(27)30)38(52)47-35(25-13-5-4-6-14-25)39(53)45-33(22-34(48)49)37(51)44-31(36(42)50)20-26-16-11-15-24-12-7-8-17-28(24)26/h4-19,23,31-33,35,43H,20-22H2,1-3H3,(H2,42,50)(H,44,51)(H,45,53)(H,46,54)(H,47,52)(H,48,49)/t31-,32-,33-,35-/m0/s1
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14n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the inhibition of [3H]-pCCK-8 to Cholecystokinin type B receptor in guinea pig brain


Bioorg Med Chem Lett 3: 847-850 (1993)


Article DOI: 10.1016/S0960-894X(00)80678-2
BindingDB Entry DOI: 10.7270/Q2P26Z28
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50281666
PNG
(Boc-Trp-Phg-Asp-1Nal-N(CH3)2 | CHEMBL436722)
Show SMILES CN(C)C(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)c1ccccc1
Show InChI InChI=1S/C43H48N6O8/c1-43(2,3)57-42(56)47-33(23-29-25-44-32-21-12-11-20-31(29)32)39(53)48-37(27-15-7-6-8-16-27)40(54)45-34(24-36(50)51)38(52)46-35(41(55)49(4)5)22-28-18-13-17-26-14-9-10-19-30(26)28/h6-21,25,33-35,37,44H,22-24H2,1-5H3,(H,45,54)(H,46,52)(H,47,56)(H,48,53)(H,50,51)/t33-,34-,35-,37-/m0/s1
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39n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the inhibition of [3H]-pCCK-8 to Cholecystokinin type B receptor in guinea pig brain


Bioorg Med Chem Lett 3: 847-850 (1993)


Article DOI: 10.1016/S0960-894X(00)80678-2
BindingDB Entry DOI: 10.7270/Q2P26Z28
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(RAT)
BDBM50281669
PNG
(Boc-Trp-Phg-Asp-1Nal-NH2 | CHEMBL353862)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O)c1ccccc1
Show InChI InChI=1S/C41H44N6O8/c1-41(2,3)55-40(54)46-32(21-27-23-43-30-19-10-9-18-29(27)30)38(52)47-35(25-13-5-4-6-14-25)39(53)45-33(22-34(48)49)37(51)44-31(36(42)50)20-26-16-11-15-24-12-7-8-17-28(24)26/h4-19,23,31-33,35,43H,20-22H2,1-3H3,(H2,42,50)(H,44,51)(H,45,53)(H,46,54)(H,47,52)(H,48,49)/t31-,32-,33-,35-/m0/s1
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51n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the inhibition of [3H]-pCCK-8 binding to Cholecystokinin type B receptor in rat brain membranes


Bioorg Med Chem Lett 3: 847-850 (1993)


Article DOI: 10.1016/S0960-894X(00)80678-2
BindingDB Entry DOI: 10.7270/Q2P26Z28
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Cavia porcellus)
BDBM50281664
PNG
(CHEMBL262894 | p-Tyr(SO3Na)-gNle-mGly-Trp-(N-Me)Nl...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](N)Cc1ccc(OS([O-])(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C47H61N9O13S/c1-3-5-15-35(53-43(61)33(48)22-29-18-20-31(21-19-29)69-70(66,67)68)44(62)51-27-40(57)52-38(24-30-26-50-34-17-11-10-14-32(30)34)46(64)54-36(16-6-4-2)45(63)56-39(25-41(58)59)47(65)55-37(42(49)60)23-28-12-8-7-9-13-28/h7-14,17-21,26,33,35-39,50H,3-6,15-16,22-25,27,48H2,1-2H3,(H2,49,60)(H,51,62)(H,52,57)(H,53,61)(H,54,64)(H,55,65)(H,56,63)(H,58,59)(H,66,67,68)/p-1/t33-,35-,36-,37-,38-,39-/m0/s1
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62n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the inhibition of [3H]-pCCK-8 binding to Cholecystokinin type A receptor in pancreatic membranes of guinea-pig


Bioorg Med Chem Lett 3: 847-850 (1993)


Article DOI: 10.1016/S0960-894X(00)80678-2
BindingDB Entry DOI: 10.7270/Q2P26Z28
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50281668
PNG
(Boc-Trp-Phe-Asp-1Nal-NH2 | CHEMBL171594)
Show SMILES CC(C)(C)OC(=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](Cc1cccc2ccccc12)C(N)=O
Show InChI InChI=1S/C42H46N6O8/c1-42(2,3)56-41(55)48-34(22-28-24-44-31-19-10-9-18-30(28)31)39(53)46-33(20-25-12-5-4-6-13-25)38(52)47-35(23-36(49)50)40(54)45-32(37(43)51)21-27-16-11-15-26-14-7-8-17-29(26)27/h4-19,24,32-35,44H,20-23H2,1-3H3,(H2,43,51)(H,45,54)(H,46,53)(H,47,52)(H,48,55)(H,49,50)/t32-,33-,34-,35-/m0/s1
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71n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the inhibition of [3H]-pCCK-8 to Cholecystokinin type B receptor in guinea pig brain


Bioorg Med Chem Lett 3: 847-850 (1993)


Article DOI: 10.1016/S0960-894X(00)80678-2
BindingDB Entry DOI: 10.7270/Q2P26Z28
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Cavia porcellus)
BDBM50016504
PNG
((S)-3-(2-{[(S)-2-(2-{2-[2-tert-Butoxycarbonylamino...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS([O-])(=O)=O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C52H69N9O15S/c1-6-8-18-37(57-48(68)40(61-51(71)75-52(3,4)5)26-32-21-23-34(24-22-32)76-77(72,73)74)46(66)55-30-43(62)56-41(27-33-29-54-36-20-14-13-17-35(33)36)49(69)58-38(19-9-7-2)47(67)60-42(28-44(63)64)50(70)59-39(45(53)65)25-31-15-11-10-12-16-31/h10-17,20-24,29,37-42,54H,6-9,18-19,25-28,30H2,1-5H3,(H2,53,65)(H,55,66)(H,56,62)(H,57,68)(H,58,69)(H,59,70)(H,60,67)(H,61,71)(H,63,64)(H,72,73,74)/p-1/t37-,38-,39-,40-,41-,42-/m0/s1
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78n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the inhibition of [3H]-pCCK-8 binding to Cholecystokinin type A receptor in pancreatic membranes of guinea-pig


Bioorg Med Chem Lett 3: 847-850 (1993)


Article DOI: 10.1016/S0960-894X(00)80678-2
BindingDB Entry DOI: 10.7270/Q2P26Z28
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Cavia porcellus)
BDBM50281666
PNG
(Boc-Trp-Phg-Asp-1Nal-N(CH3)2 | CHEMBL436722)
Show SMILES CN(C)C(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)c1ccccc1
Show InChI InChI=1S/C43H48N6O8/c1-43(2,3)57-42(56)47-33(23-29-25-44-32-21-12-11-20-31(29)32)39(53)48-37(27-15-7-6-8-16-27)40(54)45-34(24-36(50)51)38(52)46-35(41(55)49(4)5)22-28-18-13-17-26-14-9-10-19-30(26)28/h6-21,25,33-35,37,44H,22-24H2,1-5H3,(H,45,54)(H,46,52)(H,47,56)(H,48,53)(H,50,51)/t33-,34-,35-,37-/m0/s1
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1.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the inhibition of [3H]-pCCK-8 binding to Cholecystokinin type A receptor in pancreatic membranes of guinea-pig


Bioorg Med Chem Lett 3: 847-850 (1993)


Article DOI: 10.1016/S0960-894X(00)80678-2
BindingDB Entry DOI: 10.7270/Q2P26Z28
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Cavia porcellus)
BDBM50281669
PNG
(Boc-Trp-Phg-Asp-1Nal-NH2 | CHEMBL353862)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O)c1ccccc1
Show InChI InChI=1S/C41H44N6O8/c1-41(2,3)55-40(54)46-32(21-27-23-43-30-19-10-9-18-29(27)30)38(52)47-35(25-13-5-4-6-14-25)39(53)45-33(22-34(48)49)37(51)44-31(36(42)50)20-26-16-11-15-24-12-7-8-17-28(24)26/h4-19,23,31-33,35,43H,20-22H2,1-3H3,(H2,42,50)(H,44,51)(H,45,53)(H,46,54)(H,47,52)(H,48,49)/t31-,32-,33-,35-/m0/s1
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1.10E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the inhibition of [3H]-pCCK-8 binding to Cholecystokinin type A receptor in pancreatic membranes of guinea-pig


Bioorg Med Chem Lett 3: 847-850 (1993)


Article DOI: 10.1016/S0960-894X(00)80678-2
BindingDB Entry DOI: 10.7270/Q2P26Z28
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Cavia porcellus)
BDBM50281665
PNG
(Boc-Phe(CH2-SO3Na)-gNle-mCIy-Trp-(N-Me)Nle-Asp-Phe...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(CS([O-])(=O)=O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C53H71N9O14S/c1-6-8-18-38(58-49(69)41(62-52(72)76-53(3,4)5)26-33-21-23-34(24-22-33)31-77(73,74)75)47(67)56-30-44(63)57-42(27-35-29-55-37-20-14-13-17-36(35)37)50(70)59-39(19-9-7-2)48(68)61-43(28-45(64)65)51(71)60-40(46(54)66)25-32-15-11-10-12-16-32/h10-17,20-24,29,38-43,55H,6-9,18-19,25-28,30-31H2,1-5H3,(H2,54,66)(H,56,67)(H,57,63)(H,58,69)(H,59,70)(H,60,71)(H,61,68)(H,62,72)(H,64,65)(H,73,74,75)/p-1/t38-,39-,40-,41-,42-,43-/m0/s1
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1.10E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the inhibition of [3H]-pCCK-8 binding to Cholecystokinin type A receptor in pancreatic membranes of guinea-pig


Bioorg Med Chem Lett 3: 847-850 (1993)


Article DOI: 10.1016/S0960-894X(00)80678-2
BindingDB Entry DOI: 10.7270/Q2P26Z28
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Cavia porcellus)
BDBM50281668
PNG
(Boc-Trp-Phe-Asp-1Nal-NH2 | CHEMBL171594)
Show SMILES CC(C)(C)OC(=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](Cc1cccc2ccccc12)C(N)=O
Show InChI InChI=1S/C42H46N6O8/c1-42(2,3)56-41(55)48-34(22-28-24-44-31-19-10-9-18-30(28)31)39(53)46-33(20-25-12-5-4-6-13-25)38(52)47-35(23-36(49)50)40(54)45-32(37(43)51)21-27-16-11-15-26-14-7-8-17-29(26)27/h4-19,24,32-35,44H,20-23H2,1-3H3,(H2,43,51)(H,45,54)(H,46,53)(H,47,52)(H,48,55)(H,49,50)/t32-,33-,34-,35-/m0/s1
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2.40E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the inhibition of [3H]-pCCK-8 binding to Cholecystokinin type A receptor in pancreatic membranes of guinea-pig


Bioorg Med Chem Lett 3: 847-850 (1993)


Article DOI: 10.1016/S0960-894X(00)80678-2
BindingDB Entry DOI: 10.7270/Q2P26Z28
More data for this
Ligand-Target Pair