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Compile Data Set for Download or QSAR

Found 75 hits with Last Name = 'triscari' and Initial = 'j'   
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


(Bos taurus)
BDBM50003204
PNG
(CHEMBL122438 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-{2...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC1CCC[C@H]1NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C46H56N8O13S2/c1-68-19-18-34(42(59)53-38(24-40(56)57)45(62)52-35(41(47)58)20-26-8-3-2-4-9-26)51-44(61)37(22-29-25-48-33-12-6-5-11-31(29)33)49-39(55)23-28-10-7-13-32(28)50-43(60)36(54-46(63)64)21-27-14-16-30(17-15-27)69(65,66)67/h2-6,8-9,11-12,14-17,25,28,32,34-38,48,54H,7,10,13,18-24H2,1H3,(H2,47,58)(H,49,55)(H,50,60)(H,51,61)(H,52,62)(H,53,59)(H,56,57)(H,63,64)(H,65,66,67)/t28?,32-,34+,35+,36+,37+,38+/m1/s1
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n/an/a 0.0290n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-propanoyl-CCK-8 binding to Cholecystokinin type B receptor in bovine striatum


J Med Chem 35: 3774-83 (1992)


BindingDB Entry DOI: 10.7270/Q2CC0ZMG
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50003666
PNG
(3-[2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CN([C@@H](Cc1ccccc1)C(N)=O)C(=O)[C@H](CC(O)=O)NC(=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(39(56)49-35(25-37(53)54)41(58)52(5)36(38(45)55)23-28-16-7-6-8-17-28)48-40(57)34(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,48,57)(H,49,56)(H,51,60)(H,53,54)(H2,46,50,59)/t33?,34-,35?,36?/m0/s1
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n/an/a 0.0500n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity against cholecystokinin type A receptor from rat pancreas binding assay


J Med Chem 35: 4249-52 (1992)


BindingDB Entry DOI: 10.7270/Q2Z60N07
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50003669
PNG
(Ac-Tyr(SO3H)-Met-Gly-Trp-Met-R-Dtc-Phe-NH2 | CHEMB...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N1CSC(C)(C)[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C49H63N9O11S4/c1-29(59)53-39(24-31-15-17-33(18-16-31)73(67,68)69)45(63)55-36(19-21-70-4)44(62)52-27-41(60)54-40(25-32-26-51-35-14-10-9-13-34(32)35)46(64)56-37(20-22-71-5)48(66)58-28-72-49(2,3)42(58)47(65)57-38(43(50)61)23-30-11-7-6-8-12-30/h6-18,26,36-40,42,51H,19-25,27-28H2,1-5H3,(H2,50,61)(H,52,62)(H,53,59)(H,54,60)(H,55,63)(H,56,64)(H,57,65)(H,67,68,69)/t36-,37-,38-,39-,40-,42-/m0/s1
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n/an/a 0.0500n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Concentration inhibiting [3H]-propanoyl-CCK-8 binding to cholecystokinin type A receptor of rat pancreatic membranes.


J Med Chem 35: 4249-52 (1992)


BindingDB Entry DOI: 10.7270/Q2Z60N07
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Bos taurus)
BDBM50003199
PNG
(CHEMBL126008 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-{2...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(NC(=O)[C@H](Cc2ccc(cc2)S(O)(=O)=O)NC(O)=O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C46H50N8O13S2/c1-68-20-19-34(42(59)53-38(24-39(55)56)45(62)51-35(40(47)57)21-26-7-3-2-4-8-26)50-44(61)37(23-29-25-48-33-10-6-5-9-32(29)33)52-41(58)28-13-15-30(16-14-28)49-43(60)36(54-46(63)64)22-27-11-17-31(18-12-27)69(65,66)67/h2-18,25,34-38,48,54H,19-24H2,1H3,(H2,47,57)(H,49,60)(H,50,61)(H,51,62)(H,52,58)(H,53,59)(H,55,56)(H,63,64)(H,65,66,67)/t34-,35-,36-,37-,38-/m0/s1
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n/an/a 0.0850n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-propanoyl-CCK-8 binding to Cholecystokinin type B receptor in bovine striatum


J Med Chem 35: 3774-83 (1992)


BindingDB Entry DOI: 10.7270/Q2CC0ZMG
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50011545
PNG
(CHEMBL430906 | Desamino-Tyr(SO3H)-Met-Gly-Trp-Met-...)
Show SMILES CSCC[C@H](NC(=O)CCc1ccc(OS(O)(=O)=O)cc1)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/C45H56N8O13S3/c1-67-20-18-33(49-38(54)17-14-27-12-15-30(16-13-27)66-69(63,64)65)42(59)48-26-39(55)50-36(23-29-25-47-32-11-7-6-10-31(29)32)44(61)51-34(19-21-68-2)43(60)53-37(24-40(56)57)45(62)52-35(41(46)58)22-28-8-4-3-5-9-28/h3-13,15-16,25,33-37,47H,14,17-24,26H2,1-2H3,(H2,46,58)(H,48,59)(H,49,54)(H,50,55)(H,51,61)(H,52,62)(H,53,60)(H,56,57)(H,63,64,65)/t33-,34-,35-,36-,37-/m0/s1
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Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-propanoyl binding to cholecystokinin type A receptor was determined in fresh rat pancreatic tissue membranes


J Med Chem 34: 1125-36 (1991)


BindingDB Entry DOI: 10.7270/Q27P8XCT
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Bos taurus)
BDBM50003202
PNG
(CHEMBL331408 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-{2...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccc(NC(=O)[C@H](Cc2ccc(cc2)S(O)(=O)=O)NC(O)=O)c1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C46H50N8O13S2/c1-68-19-18-34(42(59)53-38(24-39(55)56)45(62)51-35(40(47)57)20-26-8-3-2-4-9-26)50-44(61)37(23-29-25-48-33-13-6-5-12-32(29)33)52-41(58)28-10-7-11-30(22-28)49-43(60)36(54-46(63)64)21-27-14-16-31(17-15-27)69(65,66)67/h2-17,22,25,34-38,48,54H,18-21,23-24H2,1H3,(H2,47,57)(H,49,60)(H,50,61)(H,51,62)(H,52,58)(H,53,59)(H,55,56)(H,63,64)(H,65,66,67)/t34-,35-,36-,37-,38-/m0/s1
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Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-propanoyl-CCK-8 binding to Cholecystokinin type B receptor in bovine striatum


J Med Chem 35: 3774-83 (1992)


BindingDB Entry DOI: 10.7270/Q2CC0ZMG
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Bos taurus)
BDBM50406497
PNG
(CHEMBL2079606)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)-c1nnn[nH]1)NC(C)=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/C48H59N13O10S2/c1-27(62)52-37(22-29-13-15-30(16-14-29)43-58-60-61-59-43)46(69)54-34(17-19-72-2)44(67)51-26-40(63)53-38(23-31-25-50-33-12-8-7-11-32(31)33)47(70)55-35(18-20-73-3)45(68)57-39(24-41(64)65)48(71)56-36(42(49)66)21-28-9-5-4-6-10-28/h4-16,25,34-39,50H,17-24,26H2,1-3H3,(H2,49,66)(H,51,67)(H,52,62)(H,53,63)(H,54,69)(H,55,70)(H,56,71)(H,57,68)(H,64,65)(H,58,59,60,61)/t34-,35-,36-,37-,38-,39-/m0/s1
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Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-propanoyl binding to cholecystokinin type B receptor subtype was determined in bovine striatum membranes


J Med Chem 34: 1125-36 (1991)


BindingDB Entry DOI: 10.7270/Q27P8XCT
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50003670
PNG
(3-{2-[2-(2-{2-[2-Acetylamino-3-(4-sulfo-phenyl)-pr...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(C)=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/C47H59N9O13S3/c1-27(57)51-37(22-29-13-15-31(16-14-29)72(67,68)69)45(64)53-34(17-19-70-2)43(62)50-26-40(58)52-38(23-30-25-49-33-12-8-7-11-32(30)33)46(65)54-35(18-20-71-3)44(63)56-39(24-41(59)60)47(66)55-36(42(48)61)21-28-9-5-4-6-10-28/h4-16,25,34-39,49H,17-24,26H2,1-3H3,(H2,48,61)(H,50,62)(H,51,57)(H,52,58)(H,53,64)(H,54,65)(H,55,66)(H,56,63)(H,59,60)(H,67,68,69)/t34-,35-,36-,37-,38-,39-/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Concentration inhibiting [3H]-propanoyl-CCK-8 binding to cholecystokinin type A receptor of rat pancreatic membranes.


J Med Chem 35: 4249-52 (1992)


BindingDB Entry DOI: 10.7270/Q2Z60N07
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50003200
PNG
(CHEMBL267849 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-{2...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(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/C46H57N9O14S3/c1-70-18-16-32(51-43(62)35(55-46(65)66)21-27-12-14-29(15-13-27)72(67,68)69)41(60)49-25-38(56)50-36(22-28-24-48-31-11-7-6-10-30(28)31)44(63)52-33(17-19-71-2)42(61)54-37(23-39(57)58)45(64)53-34(40(47)59)20-26-8-4-3-5-9-26/h3-15,24,32-37,48,55H,16-23,25H2,1-2H3,(H2,47,59)(H,49,60)(H,50,56)(H,51,62)(H,52,63)(H,53,64)(H,54,61)(H,57,58)(H,65,66)(H,67,68,69)/t32-,33-,34-,35-,36-,37-/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibition of specific [3H]-propanoyl-CCK-8 binding to cholecystokinin type A receptor in rat pancreatic membran...


J Med Chem 35: 3774-83 (1992)


BindingDB Entry DOI: 10.7270/Q2CC0ZMG
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Bos taurus)
BDBM50003201
PNG
(CHEMBL386376 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-{2...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccc(NC(=O)[C@H](Cc2ccc(cc2)S(O)(=O)=O)NC(O)=O)c1C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C47H52N8O13S2/c1-26-31(12-8-14-33(26)50-44(61)37(55-47(64)65)22-28-15-17-30(18-16-28)70(66,67)68)42(59)53-38(23-29-25-49-34-13-7-6-11-32(29)34)45(62)51-35(19-20-69-2)43(60)54-39(24-40(56)57)46(63)52-36(41(48)58)21-27-9-4-3-5-10-27/h3-18,25,35-39,49,55H,19-24H2,1-2H3,(H2,48,58)(H,50,61)(H,51,62)(H,52,63)(H,53,59)(H,54,60)(H,56,57)(H,64,65)(H,66,67,68)/t35-,36-,37-,38-,39-/m0/s1
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n/an/a 0.910n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-propanoyl-CCK-8 binding to Cholecystokinin type B receptor in bovine striatum


J Med Chem 35: 3774-83 (1992)


BindingDB Entry DOI: 10.7270/Q2CC0ZMG
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50003667
PNG
(4-{2-Acetylamino-2-[1-({[1-{1-[2-carbamoyl-1-(1-ca...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C47H60N10O12S3/c1-27(58)52-37(22-29-13-15-31(16-14-29)72(67,68)69)45(64)54-34(17-19-70-2)43(62)51-26-41(60)53-38(23-30-25-50-33-12-8-7-11-32(30)33)46(65)55-35(18-20-71-3)44(63)57-39(24-40(48)59)47(66)56-36(42(49)61)21-28-9-5-4-6-10-28/h4-16,25,34-39,50H,17-24,26H2,1-3H3,(H2,48,59)(H2,49,61)(H,51,62)(H,52,58)(H,53,60)(H,54,64)(H,55,65)(H,56,66)(H,57,63)(H,67,68,69)/t34-,35-,36-,37-,38-,39-/m0/s1
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Roche Research Center

Curated by ChEMBL


Assay Description
Concentration inhibiting [3H]-propanoyl-CCK-8 binding to cholecystokinin type A receptor of rat pancreatic membranes.


J Med Chem 35: 4249-52 (1992)


BindingDB Entry DOI: 10.7270/Q2Z60N07
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Bos taurus)
BDBM50003196
PNG
(CHEMBL433647 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-{2...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCCNC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C43H52N8O13S2/c1-65-19-17-31(40(57)50-35(23-37(53)54)42(59)49-32(38(44)55)20-25-8-3-2-4-9-25)48-41(58)34(22-27-24-46-30-11-6-5-10-29(27)30)47-36(52)12-7-18-45-39(56)33(51-43(60)61)21-26-13-15-28(16-14-26)66(62,63)64/h2-6,8-11,13-16,24,31-35,46,51H,7,12,17-23H2,1H3,(H2,44,55)(H,45,56)(H,47,52)(H,48,58)(H,49,59)(H,50,57)(H,53,54)(H,60,61)(H,62,63,64)/t31-,32-,33-,34-,35-/m0/s1
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n/an/a 1.80n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-propanoyl-CCK-8 binding to Cholecystokinin type B receptor in bovine striatum


J Med Chem 35: 3774-83 (1992)


BindingDB Entry DOI: 10.7270/Q2CC0ZMG
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50003202
PNG
(CHEMBL331408 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-{2...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccc(NC(=O)[C@H](Cc2ccc(cc2)S(O)(=O)=O)NC(O)=O)c1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C46H50N8O13S2/c1-68-19-18-34(42(59)53-38(24-39(55)56)45(62)51-35(40(47)57)20-26-8-3-2-4-9-26)50-44(61)37(23-29-25-48-33-13-6-5-12-32(29)33)52-41(58)28-10-7-11-30(22-28)49-43(60)36(54-46(63)64)21-27-14-16-31(17-15-27)69(65,66)67/h2-17,22,25,34-38,48,54H,18-21,23-24H2,1H3,(H2,47,57)(H,49,60)(H,50,61)(H,51,62)(H,52,58)(H,53,59)(H,55,56)(H,63,64)(H,65,66,67)/t34-,35-,36-,37-,38-/m0/s1
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n/an/a 2.10n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibition of specific [3H]-propanoyl-CCK-8 binding to Cholecystokinin type A receptor in rat pancreatic membran...


J Med Chem 35: 3774-83 (1992)


BindingDB Entry DOI: 10.7270/Q2CC0ZMG
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50003664
PNG
(4-{2-Acetylamino-2-[1-({[1-{1-[1-(1-carbamoyl-2-ph...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C47H61N9O11S3/c1-28(57)51-38(24-30-15-17-32(18-16-30)70(65,66)67)43(61)53-35(19-21-68-4)42(60)50-27-40(58)52-39(25-31-26-49-34-14-10-9-13-33(31)34)44(62)54-36(20-22-69-5)45(63)56-47(2,3)46(64)55-37(41(48)59)23-29-11-7-6-8-12-29/h6-18,26,35-39,49H,19-25,27H2,1-5H3,(H2,48,59)(H,50,60)(H,51,57)(H,52,58)(H,53,61)(H,54,62)(H,55,64)(H,56,63)(H,65,66,67)/t35-,36-,37-,38-,39-/m0/s1
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Roche Research Center

Curated by ChEMBL


Assay Description
Concentration inhibiting [3H]-propanoyl-CCK-8 binding to cholecystokinin type A receptor of rat pancreatic membranes.


J Med Chem 35: 4249-52 (1992)


BindingDB Entry DOI: 10.7270/Q2Z60N07
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50406489
PNG
(CHEMBL2079549)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(CC(O)=O)cc1)NC(C)=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/C49H61N9O12S2/c1-28(59)53-38(22-30-13-15-31(16-14-30)23-42(61)62)47(68)55-35(17-19-71-2)45(66)52-27-41(60)54-39(24-32-26-51-34-12-8-7-11-33(32)34)48(69)56-36(18-20-72-3)46(67)58-40(25-43(63)64)49(70)57-37(44(50)65)21-29-9-5-4-6-10-29/h4-16,26,35-40,51H,17-25,27H2,1-3H3,(H2,50,65)(H,52,66)(H,53,59)(H,54,60)(H,55,68)(H,56,69)(H,57,70)(H,58,67)(H,61,62)(H,63,64)/t35-,36-,37-,38-,39-,40-/m0/s1
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Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-propanoyl binding to cholecystokinin type A receptor was determined in fresh rat pancreatic tissue membranes


J Med Chem 34: 1125-36 (1991)


BindingDB Entry DOI: 10.7270/Q27P8XCT
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50003201
PNG
(CHEMBL386376 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-{2...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccc(NC(=O)[C@H](Cc2ccc(cc2)S(O)(=O)=O)NC(O)=O)c1C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C47H52N8O13S2/c1-26-31(12-8-14-33(26)50-44(61)37(55-47(64)65)22-28-15-17-30(18-16-28)70(66,67)68)42(59)53-38(23-29-25-49-34-13-7-6-11-32(29)34)45(62)51-35(19-20-69-2)43(60)54-39(24-40(56)57)46(63)52-36(41(48)58)21-27-9-4-3-5-10-27/h3-18,25,35-39,49,55H,19-24H2,1-2H3,(H2,48,58)(H,50,61)(H,51,62)(H,52,63)(H,53,59)(H,54,60)(H,56,57)(H,64,65)(H,66,67,68)/t35-,36-,37-,38-,39-/m0/s1
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Roche Research Center

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibition of specific [3H]-propanoyl-CCK-8 binding toCholecystokinin type A receptor in rat pancreatic membrane...


J Med Chem 35: 3774-83 (1992)


BindingDB Entry DOI: 10.7270/Q2CC0ZMG
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50406497
PNG
(CHEMBL2079606)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)-c1nnn[nH]1)NC(C)=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/C48H59N13O10S2/c1-27(62)52-37(22-29-13-15-30(16-14-29)43-58-60-61-59-43)46(69)54-34(17-19-72-2)44(67)51-26-40(63)53-38(23-31-25-50-33-12-8-7-11-32(31)33)47(70)55-35(18-20-73-3)45(68)57-39(24-41(64)65)48(71)56-36(42(49)66)21-28-9-5-4-6-10-28/h4-16,25,34-39,50H,17-24,26H2,1-3H3,(H2,49,66)(H,51,67)(H,52,62)(H,53,63)(H,54,69)(H,55,70)(H,56,71)(H,57,68)(H,64,65)(H,58,59,60,61)/t34-,35-,36-,37-,38-,39-/m0/s1
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Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-propanoyl binding to cholecystokinin type A receptor was determined in fresh rat pancreatic tissue membranes


J Med Chem 34: 1125-36 (1991)


BindingDB Entry DOI: 10.7270/Q27P8XCT
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Bos taurus)
BDBM50011545
PNG
(CHEMBL430906 | Desamino-Tyr(SO3H)-Met-Gly-Trp-Met-...)
Show SMILES CSCC[C@H](NC(=O)CCc1ccc(OS(O)(=O)=O)cc1)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/C45H56N8O13S3/c1-67-20-18-33(49-38(54)17-14-27-12-15-30(16-13-27)66-69(63,64)65)42(59)48-26-39(55)50-36(23-29-25-47-32-11-7-6-10-31(29)32)44(61)51-34(19-21-68-2)43(60)53-37(24-40(56)57)45(62)52-35(41(46)58)22-28-8-4-3-5-9-28/h3-13,15-16,25,33-37,47H,14,17-24,26H2,1-2H3,(H2,46,58)(H,48,59)(H,49,54)(H,50,55)(H,51,61)(H,52,62)(H,53,60)(H,56,57)(H,63,64,65)/t33-,34-,35-,36-,37-/m0/s1
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Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-propanoyl binding to cholecystokinin type B receptor subtype was determined in bovine striatum membranes


J Med Chem 34: 1125-36 (1991)


BindingDB Entry DOI: 10.7270/Q27P8XCT
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Bos taurus)
BDBM50406690
PNG
(CHEMBL2112635)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[C@@H]1CCCC[C@@H]1NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C47H58N8O13S2/c1-69-20-19-35(43(60)54-39(25-41(57)58)46(63)53-36(42(48)59)21-27-9-3-2-4-10-27)52-45(62)38(23-30-26-49-34-14-8-6-12-32(30)34)50-40(56)24-29-11-5-7-13-33(29)51-44(61)37(55-47(64)65)22-28-15-17-31(18-16-28)70(66,67)68/h2-4,6,8-10,12,14-18,26,29,33,35-39,49,55H,5,7,11,13,19-25H2,1H3,(H2,48,59)(H,50,56)(H,51,61)(H,52,62)(H,53,63)(H,54,60)(H,57,58)(H,64,65)(H,66,67,68)/t29-,33-,35-,36-,37-,38-,39-/m0/s1
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Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-propanoyl-CCK-8 binding to Cholecystokinin type B receptor in bovine striatum


J Med Chem 35: 3774-83 (1992)


BindingDB Entry DOI: 10.7270/Q2CC0ZMG
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Bos taurus)
BDBM50003200
PNG
(CHEMBL267849 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-{2...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(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/C46H57N9O14S3/c1-70-18-16-32(51-43(62)35(55-46(65)66)21-27-12-14-29(15-13-27)72(67,68)69)41(60)49-25-38(56)50-36(22-28-24-48-31-11-7-6-10-30(28)31)44(63)52-33(17-19-71-2)42(61)54-37(23-39(57)58)45(64)53-34(40(47)59)20-26-8-4-3-5-9-26/h3-15,24,32-37,48,55H,16-23,25H2,1-2H3,(H2,47,59)(H,49,60)(H,50,56)(H,51,62)(H,52,63)(H,53,64)(H,54,61)(H,57,58)(H,65,66)(H,67,68,69)/t32-,33-,34-,35-,36-,37-/m0/s1
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Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-propanoyl-CCK-8 binding to Cholecystokinin type B receptor in bovine striatum


J Med Chem 35: 3774-83 (1992)


BindingDB Entry DOI: 10.7270/Q2CC0ZMG
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Bos taurus)
BDBM50003670
PNG
(3-{2-[2-(2-{2-[2-Acetylamino-3-(4-sulfo-phenyl)-pr...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(C)=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/C47H59N9O13S3/c1-27(57)51-37(22-29-13-15-31(16-14-29)72(67,68)69)45(64)53-34(17-19-70-2)43(62)50-26-40(58)52-38(23-30-25-49-33-12-8-7-11-32(30)33)46(65)54-35(18-20-71-3)44(63)56-39(24-41(59)60)47(66)55-36(42(48)61)21-28-9-5-4-6-10-28/h4-16,25,34-39,49H,17-24,26H2,1-3H3,(H2,48,61)(H,50,62)(H,51,57)(H,52,58)(H,53,64)(H,54,65)(H,55,66)(H,56,63)(H,59,60)(H,67,68,69)/t34-,35-,36-,37-,38-,39-/m0/s1
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Roche Research Center

Curated by ChEMBL


Assay Description
Concentration of the compound inhibiting [3H]-propanoyl-CCK-8 binding to cholecystokinin type B receptor of bovine striatum.


J Med Chem 35: 4249-52 (1992)


BindingDB Entry DOI: 10.7270/Q2Z60N07
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50011538
PNG
(Ac-Phe(4-SO3H)-Met-Gly-Trp-Met-Asp-Phe-NH2 | CHEMB...)
Show SMILES CSCC[C@@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(C)=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/C47H59N9O14S3/c1-27(57)51-37(22-29-13-15-31(16-14-29)70-73(67,68)69)45(64)53-34(17-19-71-2)43(62)50-26-40(58)52-38(23-30-25-49-33-12-8-7-11-32(30)33)46(65)54-35(18-20-72-3)44(63)56-39(24-41(59)60)47(66)55-36(42(48)61)21-28-9-5-4-6-10-28/h4-16,25,34-39,49H,17-24,26H2,1-3H3,(H2,48,61)(H,50,62)(H,51,57)(H,52,58)(H,53,64)(H,54,65)(H,55,66)(H,56,63)(H,59,60)(H,67,68,69)/t34-,35-,36+,37+,38+,39+/m1/s1
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Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-propanoyl binding to cholecystokinin type A receptor was determined in fresh rat pancreatic tissue membranes


J Med Chem 34: 1125-36 (1991)


BindingDB Entry DOI: 10.7270/Q27P8XCT
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Bos taurus)
BDBM50011538
PNG
(Ac-Phe(4-SO3H)-Met-Gly-Trp-Met-Asp-Phe-NH2 | CHEMB...)
Show SMILES CSCC[C@@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(C)=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/C47H59N9O14S3/c1-27(57)51-37(22-29-13-15-31(16-14-29)70-73(67,68)69)45(64)53-34(17-19-71-2)43(62)50-26-40(58)52-38(23-30-25-49-33-12-8-7-11-32(30)33)46(65)54-35(18-20-72-3)44(63)56-39(24-41(59)60)47(66)55-36(42(48)61)21-28-9-5-4-6-10-28/h4-16,25,34-39,49H,17-24,26H2,1-3H3,(H2,48,61)(H,50,62)(H,51,57)(H,52,58)(H,53,64)(H,54,65)(H,55,66)(H,56,63)(H,59,60)(H,67,68,69)/t34-,35-,36+,37+,38+,39+/m1/s1
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Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-propanoyl binding to cholecystokinin type B receptor subtype was determined in bovine striatum membranes


J Med Chem 34: 1125-36 (1991)


BindingDB Entry DOI: 10.7270/Q27P8XCT
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50003196
PNG
(CHEMBL433647 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-{2...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCCNC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C43H52N8O13S2/c1-65-19-17-31(40(57)50-35(23-37(53)54)42(59)49-32(38(44)55)20-25-8-3-2-4-9-25)48-41(58)34(22-27-24-46-30-11-6-5-10-29(27)30)47-36(52)12-7-18-45-39(56)33(51-43(60)61)21-26-13-15-28(16-14-26)66(62,63)64/h2-6,8-11,13-16,24,31-35,46,51H,7,12,17-23H2,1H3,(H2,44,55)(H,45,56)(H,47,52)(H,48,58)(H,49,59)(H,50,57)(H,53,54)(H,60,61)(H,62,63,64)/t31-,32-,33-,34-,35-/m0/s1
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Roche Research Center

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibition of specific [3H]-propanoyl-CCK-8 binding to cholecystokinin type A receptor in rat pancreatic membran...


J Med Chem 35: 3774-83 (1992)


BindingDB Entry DOI: 10.7270/Q2CC0ZMG
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Bos taurus)
BDBM50011541
PNG
(3-4-(tetrazol-5-ylphenyl)propanoyl-Met-Gly-Trp-Met...)
Show SMILES CSCC[C@H](NC(=O)CCc1ccc(cc1)-c1nnn[nH]1)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/C46H56N12O9S2/c1-68-20-18-33(50-38(59)17-14-27-12-15-29(16-13-27)42-55-57-58-56-42)43(64)49-26-39(60)51-36(23-30-25-48-32-11-7-6-10-31(30)32)45(66)52-34(19-21-69-2)44(65)54-37(24-40(61)62)46(67)53-35(41(47)63)22-28-8-4-3-5-9-28/h3-13,15-16,25,33-37,48H,14,17-24,26H2,1-2H3,(H2,47,63)(H,49,64)(H,50,59)(H,51,60)(H,52,66)(H,53,67)(H,54,65)(H,61,62)(H,55,56,57,58)/t33-,34-,35-,36-,37-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-propanoyl binding to cholecystokinin type B receptor subtype was determined in bovine striatum membranes


J Med Chem 34: 1125-36 (1991)


BindingDB Entry DOI: 10.7270/Q27P8XCT
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Bos taurus)
BDBM50003207
PNG
(CHEMBL405805 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-{2...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc(NC(=O)[C@H](Cc2ccc(cc2)S(O)(=O)=O)NC(O)=O)ccc1C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C47H52N8O13S2/c1-26-12-15-30(50-44(61)37(55-47(64)65)21-28-13-16-31(17-14-28)70(66,67)68)23-33(26)42(59)53-38(22-29-25-49-34-11-7-6-10-32(29)34)45(62)51-35(18-19-69-2)43(60)54-39(24-40(56)57)46(63)52-36(41(48)58)20-27-8-4-3-5-9-27/h3-17,23,25,35-39,49,55H,18-22,24H2,1-2H3,(H2,48,58)(H,50,61)(H,51,62)(H,52,63)(H,53,59)(H,54,60)(H,56,57)(H,64,65)(H,66,67,68)/t35-,36-,37-,38-,39-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-propanoyl-CCK-8 binding to Cholecystokinin type B receptor in bovine striatum


J Med Chem 35: 3774-83 (1992)


BindingDB Entry DOI: 10.7270/Q2CC0ZMG
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50003665
PNG
(3-{2-[2-(2-{2-[2-Acetylamino-3-(4-sulfo-phenyl)-pr...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(C)=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/C47H59N9O13S3/c1-27(57)51-37(22-29-13-15-31(16-14-29)72(67,68)69)45(64)53-34(17-19-70-2)43(62)50-26-40(58)52-38(23-30-25-49-33-12-8-7-11-32(30)33)46(65)54-35(18-20-71-3)44(63)56-39(24-41(59)60)47(66)55-36(42(48)61)21-28-9-5-4-6-10-28/h4-16,25,34-39,49H,17-24,26H2,1-3H3,(H2,48,61)(H,50,62)(H,51,57)(H,52,58)(H,53,64)(H,54,65)(H,55,66)(H,56,63)(H,59,60)(H,67,68,69)/t34-,35-,36-,37-,38-,39+/m0/s1
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n/an/a 5.5n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Concentration inhibiting [3H]-propanoyl-CCK-8 binding to cholecystokinin type A receptor of rat pancreatic membranes.


J Med Chem 35: 4249-52 (1992)


BindingDB Entry DOI: 10.7270/Q2Z60N07
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50003662
PNG
(4-{2-Acetylamino-2-[1-({[1-{1-[2-(1-carbamoyl-2-ph...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C48H61N9O11S3/c1-29(58)52-39(25-31-15-17-33(18-16-31)71(66,67)68)45(62)54-36(19-22-69-2)44(61)51-28-42(59)53-40(26-32-27-50-35-13-8-7-12-34(32)35)46(63)55-37(20-23-70-3)48(65)57-21-9-14-41(57)47(64)56-38(43(49)60)24-30-10-5-4-6-11-30/h4-8,10-13,15-18,27,36-41,50H,9,14,19-26,28H2,1-3H3,(H2,49,60)(H,51,61)(H,52,58)(H,53,59)(H,54,62)(H,55,63)(H,56,64)(H,66,67,68)/t36-,37-,38-,39-,40-,41-/m0/s1
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n/an/a 8.30n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Concentration inhibiting [3H]-propanoyl-CCK-8 binding to cholecystokinin type A receptor of rat pancreatic membranes.


J Med Chem 35: 4249-52 (1992)


BindingDB Entry DOI: 10.7270/Q2Z60N07
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Bos taurus)
BDBM50003205
PNG
(CHEMBL421471 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-{2...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCCCNC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C44H54N8O13S2/c1-66-20-18-32(41(58)51-36(24-38(54)55)43(60)50-33(39(45)56)21-26-9-3-2-4-10-26)49-42(59)35(23-28-25-47-31-12-6-5-11-30(28)31)48-37(53)13-7-8-19-46-40(57)34(52-44(61)62)22-27-14-16-29(17-15-27)67(63,64)65/h2-6,9-12,14-17,25,32-36,47,52H,7-8,13,18-24H2,1H3,(H2,45,56)(H,46,57)(H,48,53)(H,49,59)(H,50,60)(H,51,58)(H,54,55)(H,61,62)(H,63,64,65)/t32-,33-,34-,35-,36-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-propanoyl-CCK-8 binding to Cholecystokinin type B receptor in bovine striatum


J Med Chem 35: 3774-83 (1992)


BindingDB Entry DOI: 10.7270/Q2CC0ZMG
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Bos taurus)
BDBM50003203
PNG
(CHEMBL436199 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-{2...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCCCCNC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C45H56N8O13S2/c1-67-21-19-33(42(59)52-37(25-39(55)56)44(61)51-34(40(46)57)22-27-10-4-2-5-11-27)50-43(60)36(24-29-26-48-32-13-8-7-12-31(29)32)49-38(54)14-6-3-9-20-47-41(58)35(53-45(62)63)23-28-15-17-30(18-16-28)68(64,65)66/h2,4-5,7-8,10-13,15-18,26,33-37,48,53H,3,6,9,14,19-25H2,1H3,(H2,46,57)(H,47,58)(H,49,54)(H,50,60)(H,51,61)(H,52,59)(H,55,56)(H,62,63)(H,64,65,66)/t33-,34-,35-,36-,37-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-propanoyl-CCK-8 binding to Cholecystokinin type B receptor in bovine striatum


J Med Chem 35: 3774-83 (1992)


BindingDB Entry DOI: 10.7270/Q2CC0ZMG
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Bos taurus)
BDBM50406496
PNG
(CHEMBL2079551)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(Cc2nnn[nH]2)cc1)NC(C)=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/C49H61N13O10S2/c1-28(63)53-38(22-30-13-15-31(16-14-30)23-41-59-61-62-60-41)47(70)55-35(17-19-73-2)45(68)52-27-42(64)54-39(24-32-26-51-34-12-8-7-11-33(32)34)48(71)56-36(18-20-74-3)46(69)58-40(25-43(65)66)49(72)57-37(44(50)67)21-29-9-5-4-6-10-29/h4-16,26,35-40,51H,17-25,27H2,1-3H3,(H2,50,67)(H,52,68)(H,53,63)(H,54,64)(H,55,70)(H,56,71)(H,57,72)(H,58,69)(H,65,66)(H,59,60,61,62)/t35-,36-,37-,38-,39-,40-/m0/s1
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n/an/a 18n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-propanoyl binding to cholecystokinin type B receptor subtype was determined in bovine striatum membranes


J Med Chem 34: 1125-36 (1991)


BindingDB Entry DOI: 10.7270/Q27P8XCT
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50406490
PNG
(CHEMBL2079603)
Show SMILES CSCC[C@H](NC(=O)[C@@H](Cc1ccc(CC(O)=O)cc1)NC(C)=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/C49H61N9O12S2/c1-28(59)53-38(22-30-13-15-31(16-14-30)23-42(61)62)47(68)55-35(17-19-71-2)45(66)52-27-41(60)54-39(24-32-26-51-34-12-8-7-11-33(32)34)48(69)56-36(18-20-72-3)46(67)58-40(25-43(63)64)49(70)57-37(44(50)65)21-29-9-5-4-6-10-29/h4-16,26,35-40,51H,17-25,27H2,1-3H3,(H2,50,65)(H,52,66)(H,53,59)(H,54,60)(H,55,68)(H,56,69)(H,57,70)(H,58,67)(H,61,62)(H,63,64)/t35-,36-,37-,38+,39-,40-/m0/s1
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n/an/a 21n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-propanoyl binding to cholecystokinin type A receptor was determined in fresh rat pancreatic tissue membranes


J Med Chem 34: 1125-36 (1991)


BindingDB Entry DOI: 10.7270/Q27P8XCT
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50003205
PNG
(CHEMBL421471 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-{2...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCCCNC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C44H54N8O13S2/c1-66-20-18-32(41(58)51-36(24-38(54)55)43(60)50-33(39(45)56)21-26-9-3-2-4-10-26)49-42(59)35(23-28-25-47-31-12-6-5-11-30(28)31)48-37(53)13-7-8-19-46-40(57)34(52-44(61)62)22-27-14-16-29(17-15-27)67(63,64)65/h2-6,9-12,14-17,25,32-36,47,52H,7-8,13,18-24H2,1H3,(H2,45,56)(H,46,57)(H,48,53)(H,49,59)(H,50,60)(H,51,58)(H,54,55)(H,61,62)(H,63,64,65)/t32-,33-,34-,35-,36-/m0/s1
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n/an/a 22n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibition of specific [3H]-propanoyl-CCK-8 binding to cholecystokinin type A receptor in rat pancreatic membran...


J Med Chem 35: 3774-83 (1992)


BindingDB Entry DOI: 10.7270/Q2CC0ZMG
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Bos taurus)
BDBM50011542
PNG
(3-[4-(carboxymethyl)phenyl]propanoyl-Met-Gly-Trp-M...)
Show SMILES CSCC[C@H](NC(=O)CCc1ccc(CC(O)=O)cc1)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/C47H58N8O11S2/c1-67-20-18-34(51-39(56)17-16-28-12-14-30(15-13-28)23-41(58)59)44(63)50-27-40(57)52-37(24-31-26-49-33-11-7-6-10-32(31)33)46(65)53-35(19-21-68-2)45(64)55-38(25-42(60)61)47(66)54-36(43(48)62)22-29-8-4-3-5-9-29/h3-15,26,34-38,49H,16-25,27H2,1-2H3,(H2,48,62)(H,50,63)(H,51,56)(H,52,57)(H,53,65)(H,54,66)(H,55,64)(H,58,59)(H,60,61)/t34-,35-,36-,37-,38-/m0/s1
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n/an/a 22n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-propanoyl binding to cholecystokinin type B receptor subtype was determined in bovine striatum membranes


J Med Chem 34: 1125-36 (1991)


BindingDB Entry DOI: 10.7270/Q27P8XCT
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Bos taurus)
BDBM50003665
PNG
(3-{2-[2-(2-{2-[2-Acetylamino-3-(4-sulfo-phenyl)-pr...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(C)=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/C47H59N9O13S3/c1-27(57)51-37(22-29-13-15-31(16-14-29)72(67,68)69)45(64)53-34(17-19-70-2)43(62)50-26-40(58)52-38(23-30-25-49-33-12-8-7-11-32(30)33)46(65)54-35(18-20-71-3)44(63)56-39(24-41(59)60)47(66)55-36(42(48)61)21-28-9-5-4-6-10-28/h4-16,25,34-39,49H,17-24,26H2,1-3H3,(H2,48,61)(H,50,62)(H,51,57)(H,52,58)(H,53,64)(H,54,65)(H,55,66)(H,56,63)(H,59,60)(H,67,68,69)/t34-,35-,36-,37-,38-,39+/m0/s1
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n/an/a 22n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Concentration inhibiting [3H]-propanoyl-CCK-8 binding to cholecystokinin type B receptor of bovine striatum.


J Med Chem 35: 4249-52 (1992)


BindingDB Entry DOI: 10.7270/Q2Z60N07
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Bos taurus)
BDBM50011544
PNG
(Ac-(R,S)Phe(3-CH2COOH)-Met-Gly-Trp-Met-Asp-Phe-NH2...)
Show SMILES CSCC[C@H](NC(=O)C(Cc1cccc(CC(O)=O)c1)NC(C)=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/C49H61N9O12S2/c1-28(59)53-38(22-30-12-9-13-31(20-30)23-42(61)62)47(68)55-35(16-18-71-2)45(66)52-27-41(60)54-39(24-32-26-51-34-15-8-7-14-33(32)34)48(69)56-36(17-19-72-3)46(67)58-40(25-43(63)64)49(70)57-37(44(50)65)21-29-10-5-4-6-11-29/h4-15,20,26,35-40,51H,16-19,21-25,27H2,1-3H3,(H2,50,65)(H,52,66)(H,53,59)(H,54,60)(H,55,68)(H,56,69)(H,57,70)(H,58,67)(H,61,62)(H,63,64)/t35-,36+,37-,38?,39-,40-/m0/s1
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n/an/a 23n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-propanoyl binding to cholecystokinin type B receptor subtype was determined in bovine striatum membranes


J Med Chem 34: 1125-36 (1991)


BindingDB Entry DOI: 10.7270/Q27P8XCT
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50011544
PNG
(Ac-(R,S)Phe(3-CH2COOH)-Met-Gly-Trp-Met-Asp-Phe-NH2...)
Show SMILES CSCC[C@H](NC(=O)C(Cc1cccc(CC(O)=O)c1)NC(C)=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/C49H61N9O12S2/c1-28(59)53-38(22-30-12-9-13-31(20-30)23-42(61)62)47(68)55-35(16-18-71-2)45(66)52-27-41(60)54-39(24-32-26-51-34-15-8-7-14-33(32)34)48(69)56-36(17-19-72-3)46(67)58-40(25-43(63)64)49(70)57-37(44(50)65)21-29-10-5-4-6-11-29/h4-15,20,26,35-40,51H,16-19,21-25,27H2,1-3H3,(H2,50,65)(H,52,66)(H,53,59)(H,54,60)(H,55,68)(H,56,69)(H,57,70)(H,58,67)(H,61,62)(H,63,64)/t35-,36+,37-,38?,39-,40-/m0/s1
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n/an/a 23n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-propanoyl binding to cholecystokinin type A receptor was determined in fresh rat pancreatic tissue membranes


J Med Chem 34: 1125-36 (1991)


BindingDB Entry DOI: 10.7270/Q27P8XCT
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50003204
PNG
(CHEMBL122438 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-{2...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC1CCC[C@H]1NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C46H56N8O13S2/c1-68-19-18-34(42(59)53-38(24-40(56)57)45(62)52-35(41(47)58)20-26-8-3-2-4-9-26)51-44(61)37(22-29-25-48-33-12-6-5-11-31(29)33)49-39(55)23-28-10-7-13-32(28)50-43(60)36(54-46(63)64)21-27-14-16-30(17-15-27)69(65,66)67/h2-6,8-9,11-12,14-17,25,28,32,34-38,48,54H,7,10,13,18-24H2,1H3,(H2,47,58)(H,49,55)(H,50,60)(H,51,61)(H,52,62)(H,53,59)(H,56,57)(H,63,64)(H,65,66,67)/t28?,32-,34+,35+,36+,37+,38+/m1/s1
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n/an/a 25n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibition of specific [3H]-propanoyl-CCK-8 binding to Cholecystokinin type A receptor in rat pancreatic membran...


J Med Chem 35: 3774-83 (1992)


BindingDB Entry DOI: 10.7270/Q2CC0ZMG
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50011542
PNG
(3-[4-(carboxymethyl)phenyl]propanoyl-Met-Gly-Trp-M...)
Show SMILES CSCC[C@H](NC(=O)CCc1ccc(CC(O)=O)cc1)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/C47H58N8O11S2/c1-67-20-18-34(51-39(56)17-16-28-12-14-30(15-13-28)23-41(58)59)44(63)50-27-40(57)52-37(24-31-26-49-33-11-7-6-10-32(31)33)46(65)53-35(19-21-68-2)45(64)55-38(25-42(60)61)47(66)54-36(43(48)62)22-29-8-4-3-5-9-29/h3-15,26,34-38,49H,16-25,27H2,1-2H3,(H2,48,62)(H,50,63)(H,51,56)(H,52,57)(H,53,65)(H,54,66)(H,55,64)(H,58,59)(H,60,61)/t34-,35-,36-,37-,38-/m0/s1
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n/an/a 26n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-propanoyl binding to cholecystokinin type A receptor was determined in fresh rat pancreatic tissue membranes


J Med Chem 34: 1125-36 (1991)


BindingDB Entry DOI: 10.7270/Q27P8XCT
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50406491
PNG
(CHEMBL2079548)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)C(O)=O)NC(C)=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/C48H59N9O12S2/c1-27(58)52-37(22-29-13-15-30(16-14-29)48(68)69)45(65)54-34(17-19-70-2)43(63)51-26-40(59)53-38(23-31-25-50-33-12-8-7-11-32(31)33)46(66)55-35(18-20-71-3)44(64)57-39(24-41(60)61)47(67)56-36(42(49)62)21-28-9-5-4-6-10-28/h4-16,25,34-39,50H,17-24,26H2,1-3H3,(H2,49,62)(H,51,63)(H,52,58)(H,53,59)(H,54,65)(H,55,66)(H,56,67)(H,57,64)(H,60,61)(H,68,69)/t34-,35-,36-,37-,38-,39-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-propanoyl binding to cholecystokinin type A receptor was determined in fresh rat pancreatic tissue membranes


J Med Chem 34: 1125-36 (1991)


BindingDB Entry DOI: 10.7270/Q27P8XCT
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50011541
PNG
(3-4-(tetrazol-5-ylphenyl)propanoyl-Met-Gly-Trp-Met...)
Show SMILES CSCC[C@H](NC(=O)CCc1ccc(cc1)-c1nnn[nH]1)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/C46H56N12O9S2/c1-68-20-18-33(50-38(59)17-14-27-12-15-29(16-13-27)42-55-57-58-56-42)43(64)49-26-39(60)51-36(23-30-25-48-32-11-7-6-10-31(30)32)45(66)52-34(19-21-69-2)44(65)54-37(24-40(61)62)46(67)53-35(41(47)63)22-28-8-4-3-5-9-28/h3-13,15-16,25,33-37,48H,14,17-24,26H2,1-2H3,(H2,47,63)(H,49,64)(H,50,59)(H,51,60)(H,52,66)(H,53,67)(H,54,65)(H,61,62)(H,55,56,57,58)/t33-,34-,35-,36-,37-/m0/s1
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n/an/a 35n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-propanoyl binding to cholecystokinin type A receptor was determined in fresh rat pancreatic tissue membranes


J Med Chem 34: 1125-36 (1991)


BindingDB Entry DOI: 10.7270/Q27P8XCT
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Bos taurus)
BDBM50406489
PNG
(CHEMBL2079549)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(CC(O)=O)cc1)NC(C)=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/C49H61N9O12S2/c1-28(59)53-38(22-30-13-15-31(16-14-30)23-42(61)62)47(68)55-35(17-19-71-2)45(66)52-27-41(60)54-39(24-32-26-51-34-12-8-7-11-33(32)34)48(69)56-36(18-20-72-3)46(67)58-40(25-43(63)64)49(70)57-37(44(50)65)21-29-9-5-4-6-10-29/h4-16,26,35-40,51H,17-25,27H2,1-3H3,(H2,50,65)(H,52,66)(H,53,59)(H,54,60)(H,55,68)(H,56,69)(H,57,70)(H,58,67)(H,61,62)(H,63,64)/t35-,36-,37-,38-,39-,40-/m0/s1
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n/an/a 54n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-propanoyl binding to cholecystokinin type B receptor subtype was determined in bovine striatum membranes


J Med Chem 34: 1125-36 (1991)


BindingDB Entry DOI: 10.7270/Q27P8XCT
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50003668
PNG
(CHEMBL3143146 | [1-[1-[4-(1-Carbamoyl-2-phenyl-eth...)
Show SMILES Cc1ccccc1NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N1CSC(C)(C)[C@H]1C(=O)NC(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C45H58N8O7S/c1-28-16-10-12-20-32(28)51-42(58)47-23-15-14-22-34(49-39(55)36(52-43(59)60-44(2,3)4)25-30-26-48-33-21-13-11-19-31(30)33)41(57)53-27-61-45(5,6)37(53)40(56)50-35(38(46)54)24-29-17-8-7-9-18-29/h7-13,16-21,26,34-37,48H,14-15,22-25,27H2,1-6H3,(H2,46,54)(H,49,55)(H,50,56)(H,52,59)(H2,47,51,58)/t34?,35?,36-,37?/m0/s1
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n/an/a 59n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity against cholecystokinin type A receptor from rat pancreas binding assay


J Med Chem 35: 4249-52 (1992)


BindingDB Entry DOI: 10.7270/Q2Z60N07
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Bos taurus)
BDBM50406491
PNG
(CHEMBL2079548)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)C(O)=O)NC(C)=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/C48H59N9O12S2/c1-27(58)52-37(22-29-13-15-30(16-14-29)48(68)69)45(65)54-34(17-19-70-2)43(63)51-26-40(59)53-38(23-31-25-50-33-12-8-7-11-32(31)33)46(66)55-35(18-20-71-3)44(64)57-39(24-41(60)61)47(67)56-36(42(49)62)21-28-9-5-4-6-10-28/h4-16,25,34-39,50H,17-24,26H2,1-3H3,(H2,49,62)(H,51,63)(H,52,58)(H,53,59)(H,54,65)(H,55,66)(H,56,67)(H,57,64)(H,60,61)(H,68,69)/t34-,35-,36-,37-,38-,39-/m0/s1
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n/an/a 62n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-propanoyl binding to cholecystokinin type B receptor subtype was determined in bovine striatum membranes


J Med Chem 34: 1125-36 (1991)


BindingDB Entry DOI: 10.7270/Q27P8XCT
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Bos taurus)
BDBM50406492
PNG
(CHEMBL2079601)
Show SMILES CSCC[C@H](NC(=O)[C@@H](Cc1ccc(Cc2nnn[nH]2)cc1)NC(C)=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/C49H61N13O10S2/c1-28(63)53-38(22-30-13-15-31(16-14-30)23-41-59-61-62-60-41)47(70)55-35(17-19-73-2)45(68)52-27-42(64)54-39(24-32-26-51-34-12-8-7-11-33(32)34)48(71)56-36(18-20-74-3)46(69)58-40(25-43(65)66)49(72)57-37(44(50)67)21-29-9-5-4-6-10-29/h4-16,26,35-40,51H,17-25,27H2,1-3H3,(H2,50,67)(H,52,68)(H,53,63)(H,54,64)(H,55,70)(H,56,71)(H,57,72)(H,58,69)(H,65,66)(H,59,60,61,62)/t35-,36-,37-,38+,39-,40-/m0/s1
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n/an/a 62n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-propanoyl binding to cholecystokinin type B receptor subtype was determined in bovine striatum membranes


J Med Chem 34: 1125-36 (1991)


BindingDB Entry DOI: 10.7270/Q27P8XCT
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50406496
PNG
(CHEMBL2079551)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(Cc2nnn[nH]2)cc1)NC(C)=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/C49H61N13O10S2/c1-28(63)53-38(22-30-13-15-31(16-14-30)23-41-59-61-62-60-41)47(70)55-35(17-19-73-2)45(68)52-27-42(64)54-39(24-32-26-51-34-12-8-7-11-33(32)34)48(71)56-36(18-20-74-3)46(69)58-40(25-43(65)66)49(72)57-37(44(50)67)21-29-9-5-4-6-10-29/h4-16,26,35-40,51H,17-25,27H2,1-3H3,(H2,50,67)(H,52,68)(H,53,63)(H,54,64)(H,55,70)(H,56,71)(H,57,72)(H,58,69)(H,65,66)(H,59,60,61,62)/t35-,36-,37-,38-,39-,40-/m0/s1
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n/an/a 67n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-propanoyl binding to cholecystokinin type A receptor was determined in fresh rat pancreatic tissue membranes


J Med Chem 34: 1125-36 (1991)


BindingDB Entry DOI: 10.7270/Q27P8XCT
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Bos taurus)
BDBM50406493
PNG
(CHEMBL2079604)
Show SMILES CSCC[C@H](NC(=O)[C@@H](Cc1ccc(cc1)C(O)=O)NC(C)=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/C48H59N9O12S2/c1-27(58)52-37(22-29-13-15-30(16-14-29)48(68)69)45(65)54-34(17-19-70-2)43(63)51-26-40(59)53-38(23-31-25-50-33-12-8-7-11-32(31)33)46(66)55-35(18-20-71-3)44(64)57-39(24-41(60)61)47(67)56-36(42(49)62)21-28-9-5-4-6-10-28/h4-16,25,34-39,50H,17-24,26H2,1-3H3,(H2,49,62)(H,51,63)(H,52,58)(H,53,59)(H,54,65)(H,55,66)(H,56,67)(H,57,64)(H,60,61)(H,68,69)/t34-,35-,36-,37+,38-,39-/m0/s1
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n/an/a 68n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-propanoyl binding to cholecystokinin type B receptor subtype was determined in bovine striatum membranes


J Med Chem 34: 1125-36 (1991)


BindingDB Entry DOI: 10.7270/Q27P8XCT
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50003207
PNG
(CHEMBL405805 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-{2...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc(NC(=O)[C@H](Cc2ccc(cc2)S(O)(=O)=O)NC(O)=O)ccc1C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C47H52N8O13S2/c1-26-12-15-30(50-44(61)37(55-47(64)65)21-28-13-16-31(17-14-28)70(66,67)68)23-33(26)42(59)53-38(22-29-25-49-34-11-7-6-10-32(29)34)45(62)51-35(18-19-69-2)43(60)54-39(24-40(56)57)46(63)52-36(41(48)58)20-27-8-4-3-5-9-27/h3-17,23,25,35-39,49,55H,18-22,24H2,1-2H3,(H2,48,58)(H,50,61)(H,51,62)(H,52,63)(H,53,59)(H,54,60)(H,56,57)(H,64,65)(H,66,67,68)/t35-,36-,37-,38-,39-/m0/s1
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n/an/a 73n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibition of specific [3H]-propanoyl-CCK-8 binding to Cholecystokinin type A receptor in rat pancreatic membran...


J Med Chem 35: 3774-83 (1992)


BindingDB Entry DOI: 10.7270/Q2CC0ZMG
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Bos taurus)
BDBM50406495
PNG
(CHEMBL2079547)
Show SMILES CSCC[C@H](NC(=O)[C@@H](Cc1ccc(cc1)-c1nnn[nH]1)NC(C)=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/C48H59N13O10S2/c1-27(62)52-37(22-29-13-15-30(16-14-29)43-58-60-61-59-43)46(69)54-34(17-19-72-2)44(67)51-26-40(63)53-38(23-31-25-50-33-12-8-7-11-32(31)33)47(70)55-35(18-20-73-3)45(68)57-39(24-41(64)65)48(71)56-36(42(49)66)21-28-9-5-4-6-10-28/h4-16,25,34-39,50H,17-24,26H2,1-3H3,(H2,49,66)(H,51,67)(H,52,62)(H,53,63)(H,54,69)(H,55,70)(H,56,71)(H,57,68)(H,64,65)(H,58,59,60,61)/t34-,35-,36-,37+,38-,39-/m0/s1
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n/an/a 76n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-propanoyl binding to cholecystokinin type B receptor subtype was determined in bovine striatum membranes


J Med Chem 34: 1125-36 (1991)


BindingDB Entry DOI: 10.7270/Q27P8XCT
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Bos taurus)
BDBM50406488
PNG
(CHEMBL2079550)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)C(F)(F)C(O)=O)NC(C)=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/C49H59F2N9O12S2/c1-27(61)55-37(22-29-13-15-31(16-14-29)49(50,51)48(71)72)45(68)57-34(17-19-73-2)43(66)54-26-40(62)56-38(23-30-25-53-33-12-8-7-11-32(30)33)46(69)58-35(18-20-74-3)44(67)60-39(24-41(63)64)47(70)59-36(42(52)65)21-28-9-5-4-6-10-28/h4-16,25,34-39,53H,17-24,26H2,1-3H3,(H2,52,65)(H,54,66)(H,55,61)(H,56,62)(H,57,68)(H,58,69)(H,59,70)(H,60,67)(H,63,64)(H,71,72)/t34-,35-,36-,37-,38-,39-/m0/s1
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Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-propanoyl binding to cholecystokinin type B receptor subtype was determined in bovine striatum membranes


J Med Chem 34: 1125-36 (1991)


BindingDB Entry DOI: 10.7270/Q27P8XCT
More data for this
Ligand-Target Pair
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