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Compile Data Set for Download or QSAR

Found 52 hits with Last Name = 'gonzalez-muniz' and Initial = 'r'   
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 receptor


(Homo sapiens (Human))
BDBM50228604
PNG
(CHEMBL3350720)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C50H65N9O15S/c1-5-6-16-36(56-46(66)39(59-49(69)74-50(2,3)4)24-30-19-21-33(22-20-30)75(70,71)72)44(64)54-28-41(60)55-40(25-32-27-53-35-17-11-10-15-34(32)35)47(67)57-37(45(65)58-38(43(51)63)26-42(61)62)18-12-23-52-48(68)73-29-31-13-8-7-9-14-31/h7-11,13-15,17,19-22,27,36-40,53H,5-6,12,16,18,23-26,28-29H2,1-4H3,(H2,51,63)(H,52,68)(H,54,64)(H,55,60)(H,56,66)(H,57,67)(H,58,65)(H,59,69)(H,61,62)(H,70,71,72)/t36-,37-,38-,39-,40-/m0/s1
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54n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Apparent affinity to inhibit binding of [3H]pCCK-8 to Cholecystokinin type B receptor of guinea pig brain membranes


J Med Chem 33: 3199-204 (1991)


Article DOI: 10.1021/jm00174a016
BindingDB Entry DOI: 10.7270/Q2XP73WF
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50228605
PNG
(CHEMBL3350665)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C59H74N10O16S/c1-5-6-21-43(65-54(76)46(69-58(80)85-59(2,3)4)30-37-24-26-40(27-25-37)86(81,82)83)52(74)63-34-49(70)64-47(31-39-33-62-42-22-14-13-20-41(39)42)55(77)66-44(23-15-28-61-57(79)84-35-38-18-11-8-12-19-38)53(75)68-48(32-50(71)72)56(78)67-45(51(60)73)29-36-16-9-7-10-17-36/h7-14,16-20,22,24-27,33,43-48,62H,5-6,15,21,23,28-32,34-35H2,1-4H3,(H2,60,73)(H,61,79)(H,63,74)(H,64,70)(H,65,76)(H,66,77)(H,67,78)(H,68,75)(H,69,80)(H,71,72)(H,81,82,83)/t43-,44-,45-,46-,47-,48-/m0/s1
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93n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Apparent affinity to inhibit binding of [3H]-pCCK-8 to Cholecystokinin type B receptor of guinea pig brain membranes


J Med Chem 33: 3199-204 (1991)


Article DOI: 10.1021/jm00174a016
BindingDB Entry DOI: 10.7270/Q2XP73WF
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50228605
PNG
(CHEMBL3350665)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C59H74N10O16S/c1-5-6-21-43(65-54(76)46(69-58(80)85-59(2,3)4)30-37-24-26-40(27-25-37)86(81,82)83)52(74)63-34-49(70)64-47(31-39-33-62-42-22-14-13-20-41(39)42)55(77)66-44(23-15-28-61-57(79)84-35-38-18-11-8-12-19-38)53(75)68-48(32-50(71)72)56(78)67-45(51(60)73)29-36-16-9-7-10-17-36/h7-14,16-20,22,24-27,33,43-48,62H,5-6,15,21,23,28-32,34-35H2,1-4H3,(H2,60,73)(H,61,79)(H,63,74)(H,64,70)(H,65,76)(H,66,77)(H,67,78)(H,68,75)(H,69,80)(H,71,72)(H,81,82,83)/t43-,44-,45-,46-,47-,48-/m0/s1
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113n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Apparent affinity to inhibit binding of [3H]-pCCK-8 to Cholecystokinin type A receptor of guinea pig pancreatic membranes


J Med Chem 33: 3199-204 (1991)


Article DOI: 10.1021/jm00174a016
BindingDB Entry DOI: 10.7270/Q2XP73WF
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50228603
PNG
(CHEMBL3350278)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C33H42N6O9/c1-33(2,3)48-32(46)39-26(16-21-18-36-23-13-8-7-12-22(21)23)30(44)37-24(29(43)38-25(28(34)42)17-27(40)41)14-9-15-35-31(45)47-19-20-10-5-4-6-11-20/h4-8,10-13,18,24-26,36H,9,14-17,19H2,1-3H3,(H2,34,42)(H,35,45)(H,37,44)(H,38,43)(H,39,46)(H,40,41)/t24-,25-,26-/m0/s1
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200n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Apparent affinity to inhibit binding of [3H]pCCK-8 to Cholecystokinin type A receptor of guinea pig pancreatic membranes


J Med Chem 33: 3199-204 (1991)


Article DOI: 10.1021/jm00174a016
BindingDB Entry DOI: 10.7270/Q2XP73WF
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50228604
PNG
(CHEMBL3350720)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C50H65N9O15S/c1-5-6-16-36(56-46(66)39(59-49(69)74-50(2,3)4)24-30-19-21-33(22-20-30)75(70,71)72)44(64)54-28-41(60)55-40(25-32-27-53-35-17-11-10-15-34(32)35)47(67)57-37(45(65)58-38(43(51)63)26-42(61)62)18-12-23-52-48(68)73-29-31-13-8-7-9-14-31/h7-11,13-15,17,19-22,27,36-40,53H,5-6,12,16,18,23-26,28-29H2,1-4H3,(H2,51,63)(H,52,68)(H,54,64)(H,55,60)(H,56,66)(H,57,67)(H,58,65)(H,59,69)(H,61,62)(H,70,71,72)/t36-,37-,38-,39-,40-/m0/s1
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230n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Apparent affinity to inhibit binding of [3H]pCCK-8 to Cholecystokinin type A receptor of guinea pig pancreatic membranes


J Med Chem 33: 3199-204 (1991)


Article DOI: 10.1021/jm00174a016
BindingDB Entry DOI: 10.7270/Q2XP73WF
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50007932
PNG
(Boc-Tyr(SO3H)NLe-Gly-Trp-Orn(Z)-Asp-NH2 | CHEMBL23...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=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/C56H76N10O16S/c1-8-9-19-39(62-50(73)42(66-54(77)82-56(5,6)7)28-34-22-24-36(25-23-34)83(78,79)80)48(71)60-32-45(67)61-43(29-35-31-59-38-20-14-13-18-37(35)38)51(74)63-40(21-15-26-58-53(76)81-55(2,3)4)49(72)65-44(30-46(68)69)52(75)64-41(47(57)70)27-33-16-11-10-12-17-33/h10-14,16-18,20,22-25,31,39-44,59H,8-9,15,19,21,26-30,32H2,1-7H3,(H2,57,70)(H,58,76)(H,60,71)(H,61,67)(H,62,73)(H,63,74)(H,64,75)(H,65,72)(H,66,77)(H,68,69)(H,78,79,80)/t39-,40-,41-,42-,43-,44-/m0/s1
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290n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Apparent affinity to inhibit binding of [3H]-pCCK-8 to Cholecystokinin type B receptor of guinea pig brain membranes


J Med Chem 33: 3199-204 (1991)


Article DOI: 10.1021/jm00174a016
BindingDB Entry DOI: 10.7270/Q2XP73WF
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50228605
PNG
(CHEMBL3350665)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C59H74N10O16S/c1-5-6-21-43(65-54(76)46(69-58(80)85-59(2,3)4)30-37-24-26-40(27-25-37)86(81,82)83)52(74)63-34-49(70)64-47(31-39-33-62-42-22-14-13-20-41(39)42)55(77)66-44(23-15-28-61-57(79)84-35-38-18-11-8-12-19-38)53(75)68-48(32-50(71)72)56(78)67-45(51(60)73)29-36-16-9-7-10-17-36/h7-14,16-20,22,24-27,33,43-48,62H,5-6,15,21,23,28-32,34-35H2,1-4H3,(H2,60,73)(H,61,79)(H,63,74)(H,64,70)(H,65,76)(H,66,77)(H,67,78)(H,68,75)(H,69,80)(H,71,72)(H,81,82,83)/t43-,44-,45-,46-,47-,48-/m0/s1
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310n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Apparent affinity to inhibit binding of [3H]-pCCK-8 to Cholecystokinin type B receptor of guinea pig brain membranes


J Med Chem 33: 3199-204 (1991)


Article DOI: 10.1021/jm00174a016
BindingDB Entry DOI: 10.7270/Q2XP73WF
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50228602
PNG
(CHEMBL3350331)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C42H51N7O10/c1-42(2,3)59-41(57)49-33(22-28-24-45-30-18-11-10-17-29(28)30)38(54)46-31(19-12-20-44-40(56)58-25-27-15-8-5-9-16-27)37(53)48-34(23-35(50)51)39(55)47-32(36(43)52)21-26-13-6-4-7-14-26/h4-11,13-18,24,31-34,45H,12,19-23,25H2,1-3H3,(H2,43,52)(H,44,56)(H,46,54)(H,47,55)(H,48,53)(H,49,57)(H,50,51)/t31-,32-,33-,34-/m0/s1
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340n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Apparent affinity to inhibit binding of [3H]-pCCK-8 to Cholecystokinin type B receptor of guinea pig brain membranes


J Med Chem 33: 3199-204 (1991)


Article DOI: 10.1021/jm00174a016
BindingDB Entry DOI: 10.7270/Q2XP73WF
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50228605
PNG
(CHEMBL3350665)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C59H74N10O16S/c1-5-6-21-43(65-54(76)46(69-58(80)85-59(2,3)4)30-37-24-26-40(27-25-37)86(81,82)83)52(74)63-34-49(70)64-47(31-39-33-62-42-22-14-13-20-41(39)42)55(77)66-44(23-15-28-61-57(79)84-35-38-18-11-8-12-19-38)53(75)68-48(32-50(71)72)56(78)67-45(51(60)73)29-36-16-9-7-10-17-36/h7-14,16-20,22,24-27,33,43-48,62H,5-6,15,21,23,28-32,34-35H2,1-4H3,(H2,60,73)(H,61,79)(H,63,74)(H,64,70)(H,65,76)(H,66,77)(H,67,78)(H,68,75)(H,69,80)(H,71,72)(H,81,82,83)/t43-,44-,45-,46-,47-,48-/m0/s1
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340n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Apparent affinity to inhibit binding of [3H]-pCCK-8 to Cholecystokinin type A receptor of guinea pig pancreatic membranes


J Med Chem 33: 3199-204 (1991)


Article DOI: 10.1021/jm00174a016
BindingDB Entry DOI: 10.7270/Q2XP73WF
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50228602
PNG
(CHEMBL3350331)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C42H51N7O10/c1-42(2,3)59-41(57)49-33(22-28-24-45-30-18-11-10-17-29(28)30)38(54)46-31(19-12-20-44-40(56)58-25-27-15-8-5-9-16-27)37(53)48-34(23-35(50)51)39(55)47-32(36(43)52)21-26-13-6-4-7-14-26/h4-11,13-18,24,31-34,45H,12,19-23,25H2,1-3H3,(H2,43,52)(H,44,56)(H,46,54)(H,47,55)(H,48,53)(H,49,57)(H,50,51)/t31-,32-,33-,34-/m0/s1
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580n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Apparent affinity to inhibit binding of [3H]pCCK-8 to Cholecystokinin type B receptor of guinea pig brain membranes


J Med Chem 33: 3199-204 (1991)


Article DOI: 10.1021/jm00174a016
BindingDB Entry DOI: 10.7270/Q2XP73WF
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50007932
PNG
(Boc-Tyr(SO3H)NLe-Gly-Trp-Orn(Z)-Asp-NH2 | CHEMBL23...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=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/C56H76N10O16S/c1-8-9-19-39(62-50(73)42(66-54(77)82-56(5,6)7)28-34-22-24-36(25-23-34)83(78,79)80)48(71)60-32-45(67)61-43(29-35-31-59-38-20-14-13-18-37(35)38)51(74)63-40(21-15-26-58-53(76)81-55(2,3)4)49(72)65-44(30-46(68)69)52(75)64-41(47(57)70)27-33-16-11-10-12-17-33/h10-14,16-18,20,22-25,31,39-44,59H,8-9,15,19,21,26-30,32H2,1-7H3,(H2,57,70)(H,58,76)(H,60,71)(H,61,67)(H,62,73)(H,63,74)(H,64,75)(H,65,72)(H,66,77)(H,68,69)(H,78,79,80)/t39-,40-,41-,42-,43-,44-/m0/s1
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660n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Apparent affinity to inhibit binding of [3H]-pCCK-8 to Cholecystokinin type A receptor of guinea pig pancreatic membranes


J Med Chem 33: 3199-204 (1991)


Article DOI: 10.1021/jm00174a016
BindingDB Entry DOI: 10.7270/Q2XP73WF
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50007929
PNG
(3-{5-Amino-2-[2-tert-butoxycarbonylamino-3-(1H-ind...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C34H45N7O8/c1-34(2,3)49-33(48)41-26(17-21-19-37-23-13-8-7-12-22(21)23)31(46)38-24(14-9-15-35)30(45)40-27(18-28(42)43)32(47)39-25(29(36)44)16-20-10-5-4-6-11-20/h4-8,10-13,19,24-27,37H,9,14-18,35H2,1-3H3,(H2,36,44)(H,38,46)(H,39,47)(H,40,45)(H,41,48)(H,42,43)/t24-,25-,26-,27-/m0/s1
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1.40E+3n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Apparent affinity to inhibit binding of [3H]-pCCK-8 to Cholecystokinin type B receptor of guinea pig brain membranes


J Med Chem 33: 3199-204 (1991)


Article DOI: 10.1021/jm00174a016
BindingDB Entry DOI: 10.7270/Q2XP73WF
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50007933
PNG
(3-{5-tert-Butoxycarbonylamino-2-[2-tert-butoxycarb...)
Show SMILES CC(C)(C)OC(=O)NCCC[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/C39H53N7O10/c1-38(2,3)55-36(53)41-18-12-17-27(33(50)45-30(21-31(47)48)35(52)44-28(32(40)49)19-23-13-8-7-9-14-23)43-34(51)29(46-37(54)56-39(4,5)6)20-24-22-42-26-16-11-10-15-25(24)26/h7-11,13-16,22,27-30,42H,12,17-21H2,1-6H3,(H2,40,49)(H,41,53)(H,43,51)(H,44,52)(H,45,50)(H,46,54)(H,47,48)
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2.20E+3n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Apparent affinity to inhibit binding of [3H]-pCCK-8 to Cholecystokinin type B receptor of guinea pig brain membranes


J Med Chem 33: 3199-204 (1991)


Article DOI: 10.1021/jm00174a016
BindingDB Entry DOI: 10.7270/Q2XP73WF
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50228603
PNG
(CHEMBL3350278)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C33H42N6O9/c1-33(2,3)48-32(46)39-26(16-21-18-36-23-13-8-7-12-22(21)23)30(44)37-24(29(43)38-25(28(34)42)17-27(40)41)14-9-15-35-31(45)47-19-20-10-5-4-6-11-20/h4-8,10-13,18,24-26,36H,9,14-17,19H2,1-3H3,(H2,34,42)(H,35,45)(H,37,44)(H,38,43)(H,39,46)(H,40,41)/t24-,25-,26-/m0/s1
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4.20E+3n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Apparent affinity to inhibit binding of [3H]pCCK-8 to Cholecystokinin type B receptor of guinea pig brain membranes


J Med Chem 33: 3199-204 (1991)


Article DOI: 10.1021/jm00174a016
BindingDB Entry DOI: 10.7270/Q2XP73WF
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50007930
PNG
(3-{5-tert-Butoxycarbonylamino-2-[2-tert-butoxycarb...)
Show SMILES CC(C)(C)OC(=O)NCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C30H44N6O9/c1-29(2,3)44-27(42)32-13-9-12-20(25(40)35-21(24(31)39)15-23(37)38)34-26(41)22(36-28(43)45-30(4,5)6)14-17-16-33-19-11-8-7-10-18(17)19/h7-8,10-11,16,20-22,33H,9,12-15H2,1-6H3,(H2,31,39)(H,32,42)(H,34,41)(H,35,40)(H,36,43)(H,37,38)
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4.30E+3n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Apparent affinity to inhibit binding of [3H]-pCCK-8 to Cholecystokinin type B receptor of guinea pig brain membranes


J Med Chem 33: 3199-204 (1991)


Article DOI: 10.1021/jm00174a016
BindingDB Entry DOI: 10.7270/Q2XP73WF
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50007933
PNG
(3-{5-tert-Butoxycarbonylamino-2-[2-tert-butoxycarb...)
Show SMILES CC(C)(C)OC(=O)NCCC[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/C39H53N7O10/c1-38(2,3)55-36(53)41-18-12-17-27(33(50)45-30(21-31(47)48)35(52)44-28(32(40)49)19-23-13-8-7-9-14-23)43-34(51)29(46-37(54)56-39(4,5)6)20-24-22-42-26-16-11-10-15-25(24)26/h7-11,13-16,22,27-30,42H,12,17-21H2,1-6H3,(H2,40,49)(H,41,53)(H,43,51)(H,44,52)(H,45,50)(H,46,54)(H,47,48)
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5.20E+3n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Apparent affinity to inhibit binding of [3H]-pCCK-8 to Cholecystokinin type A receptor of guinea pig pancreatic membranes


J Med Chem 33: 3199-204 (1991)


Article DOI: 10.1021/jm00174a016
BindingDB Entry DOI: 10.7270/Q2XP73WF
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50007929
PNG
(3-{5-Amino-2-[2-tert-butoxycarbonylamino-3-(1H-ind...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C34H45N7O8/c1-34(2,3)49-33(48)41-26(17-21-19-37-23-13-8-7-12-22(21)23)31(46)38-24(14-9-15-35)30(45)40-27(18-28(42)43)32(47)39-25(29(36)44)16-20-10-5-4-6-11-20/h4-8,10-13,19,24-27,37H,9,14-18,35H2,1-3H3,(H2,36,44)(H,38,46)(H,39,47)(H,40,45)(H,41,48)(H,42,43)/t24-,25-,26-,27-/m0/s1
MMDB

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1.40E+4n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Apparent affinity to inhibit binding of [3H]-pCCK-8 to Cholecystokinin type A receptor of guinea pig pancreatic membranes


J Med Chem 33: 3199-204 (1991)


Article DOI: 10.1021/jm00174a016
BindingDB Entry DOI: 10.7270/Q2XP73WF
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50007930
PNG
(3-{5-tert-Butoxycarbonylamino-2-[2-tert-butoxycarb...)
Show SMILES CC(C)(C)OC(=O)NCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C30H44N6O9/c1-29(2,3)44-27(42)32-13-9-12-20(25(40)35-21(24(31)39)15-23(37)38)34-26(41)22(36-28(43)45-30(4,5)6)14-17-16-33-19-11-8-7-10-18(17)19/h7-8,10-11,16,20-22,33H,9,12-15H2,1-6H3,(H2,31,39)(H,32,42)(H,34,41)(H,35,40)(H,36,43)(H,37,38)
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2.90E+4n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Apparent affinity to inhibit binding of [3H]-pCCK-8 to Cholecystokinin type A receptor of guinea pig pancreatic membranes


J Med Chem 33: 3199-204 (1991)


Article DOI: 10.1021/jm00174a016
BindingDB Entry DOI: 10.7270/Q2XP73WF
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50421881
PNG
(CHEMBL2112488)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C25H36N6O7/c1-25(2,3)38-24(37)31-19(11-14-13-28-16-8-5-4-7-15(14)16)23(36)29-17(9-6-10-26)22(35)30-18(21(27)34)12-20(32)33/h4-5,7-8,13,17-19,28H,6,9-12,26H2,1-3H3,(H2,27,34)(H,29,36)(H,30,35)(H,31,37)(H,32,33)/t17-,18-,19-/m0/s1
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1.00E+5n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Apparent affinity to inhibit binding of [3H]-pCCK-8 to Cholecystokinin type B receptor of guinea pig brain membranes


J Med Chem 33: 3199-204 (1991)


Article DOI: 10.1021/jm00174a016
BindingDB Entry DOI: 10.7270/Q2XP73WF
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50421881
PNG
(CHEMBL2112488)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C25H36N6O7/c1-25(2,3)38-24(37)31-19(11-14-13-28-16-8-5-4-7-15(14)16)23(36)29-17(9-6-10-26)22(35)30-18(21(27)34)12-20(32)33/h4-5,7-8,13,17-19,28H,6,9-12,26H2,1-3H3,(H2,27,34)(H,29,36)(H,30,35)(H,31,37)(H,32,33)/t17-,18-,19-/m0/s1
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1.00E+6n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Apparent affinity to inhibit binding of [3H]-pCCK-8 to Cholecystokinin type A receptor of guinea pig pancreatic membranes


J Med Chem 33: 3199-204 (1991)


Article DOI: 10.1021/jm00174a016
BindingDB Entry DOI: 10.7270/Q2XP73WF
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
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 1.10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the inhibition of specific [3H]propionyl-CCK-8 binding to rat pancreas membrane(CCK-A)


Bioorg Med Chem Lett 7: 855-860 (1997)


Article DOI: 10.1016/S0960-894X(97)00107-8
BindingDB Entry DOI: 10.7270/Q218370Q
More data for this
Ligand-Target Pair
CCKBR


(RAT)
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 6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the inhibition of specific [3H]propionyl-CCK-8 binding to rat cerebral cortex membrane(CCK-B)


Bioorg Med Chem Lett 7: 855-860 (1997)


Article DOI: 10.1016/S0960-894X(97)00107-8
BindingDB Entry DOI: 10.7270/Q218370Q
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50450461
PNG
(CHEMBL2367718)
Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)O[C@@H]1C[C@@H]2CC[C@]1(C)C2(C)C)C(=O)NC[C@H](NC(=O)CCC(O)=O)c1ccccc1
Show InChI InChI=1S/C35H44N4O6/c1-33(2)24-16-17-34(33,3)28(18-24)45-32(44)39-35(4,19-23-20-36-26-13-9-8-12-25(23)26)31(43)37-21-27(22-10-6-5-7-11-22)38-29(40)14-15-30(41)42/h5-13,20,24,27-28,36H,14-19,21H2,1-4H3,(H,37,43)(H,38,40)(H,39,44)(H,41,42)/t24-,27-,28+,34-,35+/m0/s1
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n/an/a 13n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of specific [3H]propionyl-CCK-8 binding to rat cerebral cortex membrane Cholecystokinin type B receptor


Bioorg Med Chem Lett 7: 855-860 (1997)


Article DOI: 10.1016/S0960-894X(97)00107-8
BindingDB Entry DOI: 10.7270/Q218370Q
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50291421
PNG
((S)-3-{(S)-2-[(1S,2S)-2-Benzyloxycarbonylamino-1-c...)
Show SMILES CCCC[C@H](N[C@H](C#N)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C39H45N7O7/c1-2-3-17-30(37(50)45-33(21-35(47)48)38(51)44-32(36(41)49)19-25-12-6-4-7-13-25)43-34(22-40)31(20-27-23-42-29-18-11-10-16-28(27)29)46-39(52)53-24-26-14-8-5-9-15-26/h4-16,18,23,30-34,42-43H,2-3,17,19-21,24H2,1H3,(H2,41,49)(H,44,51)(H,45,50)(H,46,52)(H,47,48)/t30-,31-,32-,33-,34+/m0/s1
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n/an/a 15n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of specific [3H]propionyl-CCK-8 binding to rat cerebral cortex membrane Cholecystokinin type B receptor


Bioorg Med Chem Lett 7: 855-860 (1997)


Article DOI: 10.1016/S0960-894X(97)00107-8
BindingDB Entry DOI: 10.7270/Q218370Q
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



TBA

Curated by ChEMBL


Assay Description
Tested for the inhibition of specific [3H]propionyl-CCK-8 binding to guinea pig pancreatic Cholecystokinin type B receptor


Bioorg Med Chem Lett 7: 855-860 (1997)


Article DOI: 10.1016/S0960-894X(97)00107-8
BindingDB Entry DOI: 10.7270/Q218370Q
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50291428
PNG
(2-{2-[(S)-2-((S)-Benzyloxycarbonylamino)-1-cyano-3...)
Show SMILES CCCC[C@H](N[C@@H](C#N)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(O)=O
Show InChI InChI=1S/C39H45N7O7/c1-2-3-17-30(37(49)45-33(38(50)51)21-35(47)44-32(36(41)48)19-25-12-6-4-7-13-25)43-34(22-40)31(20-27-23-42-29-18-11-10-16-28(27)29)46-39(52)53-24-26-14-8-5-9-15-26/h4-16,18,23,30-34,42-43H,2-3,17,19-21,24H2,1H3,(H2,41,48)(H,44,47)(H,45,49)(H,46,52)(H,50,51)/t30-,31-,32-,33-,34-/m0/s1
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n/an/a 45n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of specific [3H]propionyl-CCK-8 binding to rat cerebral cortex membrane Cholecystokinin type B receptor


Bioorg Med Chem Lett 7: 855-860 (1997)


Article DOI: 10.1016/S0960-894X(97)00107-8
BindingDB Entry DOI: 10.7270/Q218370Q
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50011197
PNG
(3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CCCC[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/C35H46N6O8/c1-5-6-15-25(31(45)40-28(19-29(42)43)33(47)39-26(30(36)44)17-21-12-8-7-9-13-21)38-32(46)27(41-34(48)49-35(2,3)4)18-22-20-37-24-16-11-10-14-23(22)24/h7-14,16,20,25-28,37H,5-6,15,17-19H2,1-4H3,(H2,36,44)(H,38,46)(H,39,47)(H,40,45)(H,41,48)(H,42,43)/t25-,26-,27-,28-/m0/s1
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n/an/a 65n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the inhibition of specific [3H]propionyl-CCK-8 binding to guinea pig pancreatic Cholecystokinin type B receptor


Bioorg Med Chem Lett 7: 855-860 (1997)


Article DOI: 10.1016/S0960-894X(97)00107-8
BindingDB Entry DOI: 10.7270/Q218370Q
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50291423
PNG
((S)-3-{(1R,2S)-2-[(S)-2-tert-Butoxycarbonylamino-3...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)[C@@H](N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C#N
Show InChI InChI=1S/C36H47N7O7/c1-5-6-15-26(30(20-37)40-29(19-31(44)45)34(48)42-27(32(38)46)17-22-12-8-7-9-13-22)41-33(47)28(43-35(49)50-36(2,3)4)18-23-21-39-25-16-11-10-14-24(23)25/h7-14,16,21,26-30,39-40H,5-6,15,17-19H2,1-4H3,(H2,38,46)(H,41,47)(H,42,48)(H,43,49)(H,44,45)/t26-,27-,28-,29-,30-/m0/s1
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n/an/a 180n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of specific [3H]propionyl-CCK-8 binding to rat cerebral cortex membrane Cholecystokinin type B receptor


Bioorg Med Chem Lett 7: 855-860 (1997)


Article DOI: 10.1016/S0960-894X(97)00107-8
BindingDB Entry DOI: 10.7270/Q218370Q
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50291425
PNG
(2-{2-[(S)-2-((S)-Benzyloxycarbonylamino)-1-cyano-3...)
Show SMILES CCCC[C@H](N[C@H](C#N)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(O)=O
Show InChI InChI=1S/C39H45N7O7/c1-2-3-17-30(37(49)45-33(38(50)51)21-35(47)44-32(36(41)48)19-25-12-6-4-7-13-25)43-34(22-40)31(20-27-23-42-29-18-11-10-16-28(27)29)46-39(52)53-24-26-14-8-5-9-15-26/h4-16,18,23,30-34,42-43H,2-3,17,19-21,24H2,1H3,(H2,41,48)(H,44,47)(H,45,49)(H,46,52)(H,50,51)/t30-,31-,32-,33-,34+/m0/s1
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n/an/a 189n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of specific [3H]propionyl-CCK-8 binding to rat pancreas membrane Cholecystokinin type A receptor


Bioorg Med Chem Lett 7: 855-860 (1997)


Article DOI: 10.1016/S0960-894X(97)00107-8
BindingDB Entry DOI: 10.7270/Q218370Q
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50291426
PNG
((R)-2-((R)-2-Benzyloxycarbonylamino-1-cyano-3-(S)-...)
Show SMILES NC(=O)C(Cc1ccccc1)NC(=O)C[C@@H](N[C@@H](C#N)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(O)=O
Show InChI InChI=1S/C33H34N6O6/c34-18-29(37-28(32(42)43)17-30(40)38-27(31(35)41)15-21-9-3-1-4-10-21)26(16-23-19-36-25-14-8-7-13-24(23)25)39-33(44)45-20-22-11-5-2-6-12-22/h1-14,19,26-29,36-37H,15-17,20H2,(H2,35,41)(H,38,40)(H,39,44)(H,42,43)/t26-,27?,28+,29-/m0/s1
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n/an/a 272n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of specific [3H]propionyl-CCK-8 binding to rat pancreas membrane Cholecystokinin type A receptor


Bioorg Med Chem Lett 7: 855-860 (1997)


Article DOI: 10.1016/S0960-894X(97)00107-8
BindingDB Entry DOI: 10.7270/Q218370Q
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50291430
PNG
(CHEMBL354817 | [(1S,2R)-2-((S)-1-Carbamoyl-2-pheny...)
Show SMILES NC(=O)[C@H](Cc1ccccc1)N[C@@H](C#N)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C29H29N5O3/c30-17-27(33-26(28(31)35)15-20-9-3-1-4-10-20)25(16-22-18-32-24-14-8-7-13-23(22)24)34-29(36)37-19-21-11-5-2-6-12-21/h1-14,18,25-27,32-33H,15-16,19H2,(H2,31,35)(H,34,36)/t25-,26-,27-/m0/s1
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n/an/a 305n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of specific [3H]propionyl-CCK-8 binding to rat pancreas membrane Cholecystokinin type A receptor


Bioorg Med Chem Lett 7: 855-860 (1997)


Article DOI: 10.1016/S0960-894X(97)00107-8
BindingDB Entry DOI: 10.7270/Q218370Q
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50291429
PNG
((S)-3-[(1S,2S)-2-Benzyloxycarbonylamino-1-cyano-3-...)
Show SMILES NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)N[C@H](C#N)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C33H34N6O6/c34-18-29(37-28(17-30(40)41)32(43)38-27(31(35)42)15-21-9-3-1-4-10-21)26(16-23-19-36-25-14-8-7-13-24(23)25)39-33(44)45-20-22-11-5-2-6-12-22/h1-14,19,26-29,36-37H,15-17,20H2,(H2,35,42)(H,38,43)(H,39,44)(H,40,41)/t26-,27-,28-,29+/m0/s1
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n/an/a 344n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of specific [3H]propionyl-CCK-8 binding to rat pancreas membrane Cholecystokinin type A receptor


Bioorg Med Chem Lett 7: 855-860 (1997)


Article DOI: 10.1016/S0960-894X(97)00107-8
BindingDB Entry DOI: 10.7270/Q218370Q
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50291428
PNG
(2-{2-[(S)-2-((S)-Benzyloxycarbonylamino)-1-cyano-3...)
Show SMILES CCCC[C@H](N[C@@H](C#N)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(O)=O
Show InChI InChI=1S/C39H45N7O7/c1-2-3-17-30(37(49)45-33(38(50)51)21-35(47)44-32(36(41)48)19-25-12-6-4-7-13-25)43-34(22-40)31(20-27-23-42-29-18-11-10-16-28(27)29)46-39(52)53-24-26-14-8-5-9-15-26/h4-16,18,23,30-34,42-43H,2-3,17,19-21,24H2,1H3,(H2,41,48)(H,44,47)(H,45,49)(H,46,52)(H,50,51)/t30-,31-,32-,33-,34-/m0/s1
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n/an/a 483n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of specific [3H]propionyl-CCK-8 binding to rat pancreas membrane Cholecystokinin type A receptor


Bioorg Med Chem Lett 7: 855-860 (1997)


Article DOI: 10.1016/S0960-894X(97)00107-8
BindingDB Entry DOI: 10.7270/Q218370Q
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50291427
PNG
((S)-3-[(1R,2S)-2-Benzyloxycarbonylamino-1-cyano-3-...)
Show SMILES NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)N[C@@H](C#N)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C33H34N6O6/c34-18-29(37-28(17-30(40)41)32(43)38-27(31(35)42)15-21-9-3-1-4-10-21)26(16-23-19-36-25-14-8-7-13-24(23)25)39-33(44)45-20-22-11-5-2-6-12-22/h1-14,19,26-29,36-37H,15-17,20H2,(H2,35,42)(H,38,43)(H,39,44)(H,40,41)/t26-,27-,28-,29-/m0/s1
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n/an/a 719n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of specific [3H]propionyl-CCK-8 binding to rat pancreas membrane Cholecystokinin type A receptor


Bioorg Med Chem Lett 7: 855-860 (1997)


Article DOI: 10.1016/S0960-894X(97)00107-8
BindingDB Entry DOI: 10.7270/Q218370Q
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50291431
PNG
((S)-3-{(1S,2S)-2-[(S)-2-tert-Butoxycarbonylamino-3...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)[C@H](N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C#N
Show InChI InChI=1S/C36H47N7O7/c1-5-6-15-26(30(20-37)40-29(19-31(44)45)34(48)42-27(32(38)46)17-22-12-8-7-9-13-22)41-33(47)28(43-35(49)50-36(2,3)4)18-23-21-39-25-16-11-10-14-24(23)25/h7-14,16,21,26-30,39-40H,5-6,15,17-19H2,1-4H3,(H2,38,46)(H,41,47)(H,42,48)(H,43,49)(H,44,45)/t26-,27-,28-,29-,30+/m0/s1
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n/an/a 920n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of specific [3H]propionyl-CCK-8 binding to rat cerebral cortex membrane Cholecystokinin type B receptor


Bioorg Med Chem Lett 7: 855-860 (1997)


Article DOI: 10.1016/S0960-894X(97)00107-8
BindingDB Entry DOI: 10.7270/Q218370Q
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50291425
PNG
(2-{2-[(S)-2-((S)-Benzyloxycarbonylamino)-1-cyano-3...)
Show SMILES CCCC[C@H](N[C@H](C#N)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(O)=O
Show InChI InChI=1S/C39H45N7O7/c1-2-3-17-30(37(49)45-33(38(50)51)21-35(47)44-32(36(41)48)19-25-12-6-4-7-13-25)43-34(22-40)31(20-27-23-42-29-18-11-10-16-28(27)29)46-39(52)53-24-26-14-8-5-9-15-26/h4-16,18,23,30-34,42-43H,2-3,17,19-21,24H2,1H3,(H2,41,48)(H,44,47)(H,45,49)(H,46,52)(H,50,51)/t30-,31-,32-,33-,34+/m0/s1
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n/an/a 938n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of specific [3H]propionyl-CCK-8 binding to rat cerebral cortex membrane Cholecystokinin type B receptor


Bioorg Med Chem Lett 7: 855-860 (1997)


Article DOI: 10.1016/S0960-894X(97)00107-8
BindingDB Entry DOI: 10.7270/Q218370Q
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50291424
PNG
((S)-3-{(S)-2-[(1R,2S)-2-Benzyloxycarbonylamino-1-c...)
Show SMILES CCCC[C@H](N[C@@H](C#N)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C39H45N7O7/c1-2-3-17-30(37(50)45-33(21-35(47)48)38(51)44-32(36(41)49)19-25-12-6-4-7-13-25)43-34(22-40)31(20-27-23-42-29-18-11-10-16-28(27)29)46-39(52)53-24-26-14-8-5-9-15-26/h4-16,18,23,30-34,42-43H,2-3,17,19-21,24H2,1H3,(H2,41,49)(H,44,51)(H,45,50)(H,46,52)(H,47,48)/t30-,31-,32-,33-,34-/m0/s1
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n/an/a 953n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of specific [3H]propionyl-CCK-8 binding to rat cerebral cortex membrane Cholecystokinin type B receptor


Bioorg Med Chem Lett 7: 855-860 (1997)


Article DOI: 10.1016/S0960-894X(97)00107-8
BindingDB Entry DOI: 10.7270/Q218370Q
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50450461
PNG
(CHEMBL2367718)
Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)O[C@@H]1C[C@@H]2CC[C@]1(C)C2(C)C)C(=O)NC[C@H](NC(=O)CCC(O)=O)c1ccccc1
Show InChI InChI=1S/C35H44N4O6/c1-33(2)24-16-17-34(33,3)28(18-24)45-32(44)39-35(4,19-23-20-36-26-13-9-8-12-25(23)26)31(43)37-21-27(22-10-6-5-7-11-22)38-29(40)14-15-30(41)42/h5-13,20,24,27-28,36H,14-19,21H2,1-4H3,(H,37,43)(H,38,40)(H,39,44)(H,41,42)/t24-,27-,28+,34-,35+/m0/s1
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n/an/a 1.43E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of specific [3H]propionyl-CCK-8 binding to rat pancreas membrane Cholecystokinin type A receptor


Bioorg Med Chem Lett 7: 855-860 (1997)


Article DOI: 10.1016/S0960-894X(97)00107-8
BindingDB Entry DOI: 10.7270/Q218370Q
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50291421
PNG
((S)-3-{(S)-2-[(1S,2S)-2-Benzyloxycarbonylamino-1-c...)
Show SMILES CCCC[C@H](N[C@H](C#N)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C39H45N7O7/c1-2-3-17-30(37(50)45-33(21-35(47)48)38(51)44-32(36(41)49)19-25-12-6-4-7-13-25)43-34(22-40)31(20-27-23-42-29-18-11-10-16-28(27)29)46-39(52)53-24-26-14-8-5-9-15-26/h4-16,18,23,30-34,42-43H,2-3,17,19-21,24H2,1H3,(H2,41,49)(H,44,51)(H,45,50)(H,46,52)(H,47,48)/t30-,31-,32-,33-,34+/m0/s1
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n/an/a 1.71E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of specific [3H]propionyl-CCK-8 binding to rat pancreas membrane Cholecystokinin type A receptor


Bioorg Med Chem Lett 7: 855-860 (1997)


Article DOI: 10.1016/S0960-894X(97)00107-8
BindingDB Entry DOI: 10.7270/Q218370Q
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



TBA

Curated by ChEMBL


Assay Description
Tested for the inhibition of specific [3H]propionyl-CCK-8 binding to guinea pig cortical Cholecystokinin type A receptor


Bioorg Med Chem Lett 7: 855-860 (1997)


Article DOI: 10.1016/S0960-894X(97)00107-8
BindingDB Entry DOI: 10.7270/Q218370Q
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50291424
PNG
((S)-3-{(S)-2-[(1R,2S)-2-Benzyloxycarbonylamino-1-c...)
Show SMILES CCCC[C@H](N[C@@H](C#N)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C39H45N7O7/c1-2-3-17-30(37(50)45-33(21-35(47)48)38(51)44-32(36(41)49)19-25-12-6-4-7-13-25)43-34(22-40)31(20-27-23-42-29-18-11-10-16-28(27)29)46-39(52)53-24-26-14-8-5-9-15-26/h4-16,18,23,30-34,42-43H,2-3,17,19-21,24H2,1H3,(H2,41,49)(H,44,51)(H,45,50)(H,46,52)(H,47,48)/t30-,31-,32-,33-,34-/m0/s1
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n/an/a 3.85E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of specific [3H]propionyl-CCK-8 binding to rat pancreas membrane Cholecystokinin type A receptor


Bioorg Med Chem Lett 7: 855-860 (1997)


Article DOI: 10.1016/S0960-894X(97)00107-8
BindingDB Entry DOI: 10.7270/Q218370Q
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50011197
PNG
(3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CCCC[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/C35H46N6O8/c1-5-6-15-25(31(45)40-28(19-29(42)43)33(47)39-26(30(36)44)17-21-12-8-7-9-13-21)38-32(46)27(41-34(48)49-35(2,3)4)18-22-20-37-24-16-11-10-14-23(22)24/h7-14,16,20,25-28,37H,5-6,15,17-19H2,1-4H3,(H2,36,44)(H,38,46)(H,39,47)(H,40,45)(H,41,48)(H,42,43)/t25-,26-,27-,28-/m0/s1
MMDB

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n/an/a 4.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the inhibition of specific [3H]propionyl-CCK-8 binding to guinea pig cortical Cholecystokinin type A receptor


Bioorg Med Chem Lett 7: 855-860 (1997)


Article DOI: 10.1016/S0960-894X(97)00107-8
BindingDB Entry DOI: 10.7270/Q218370Q
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50291430
PNG
(CHEMBL354817 | [(1S,2R)-2-((S)-1-Carbamoyl-2-pheny...)
Show SMILES NC(=O)[C@H](Cc1ccccc1)N[C@@H](C#N)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C29H29N5O3/c30-17-27(33-26(28(31)35)15-20-9-3-1-4-10-20)25(16-22-18-32-24-14-8-7-13-23(22)24)34-29(36)37-19-21-11-5-2-6-12-21/h1-14,18,25-27,32-33H,15-16,19H2,(H2,31,35)(H,34,36)/t25-,26-,27-/m0/s1
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n/an/a 5.22E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of specific [3H]propionyl-CCK-8 binding to rat pancreas membrane Cholecystokinin type A receptor


Bioorg Med Chem Lett 7: 855-860 (1997)


Article DOI: 10.1016/S0960-894X(97)00107-8
BindingDB Entry DOI: 10.7270/Q218370Q
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50291426
PNG
((R)-2-((R)-2-Benzyloxycarbonylamino-1-cyano-3-(S)-...)
Show SMILES NC(=O)C(Cc1ccccc1)NC(=O)C[C@@H](N[C@@H](C#N)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(O)=O
Show InChI InChI=1S/C33H34N6O6/c34-18-29(37-28(32(42)43)17-30(40)38-27(31(35)41)15-21-9-3-1-4-10-21)26(16-23-19-36-25-14-8-7-13-24(23)25)39-33(44)45-20-22-11-5-2-6-12-22/h1-14,19,26-29,36-37H,15-17,20H2,(H2,35,41)(H,38,40)(H,39,44)(H,42,43)/t26-,27?,28+,29-/m0/s1
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n/an/a 8.63E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of specific [3H]propionyl-CCK-8 binding to rat cerebral cortex membrane Cholecystokinin type B receptor


Bioorg Med Chem Lett 7: 855-860 (1997)


Article DOI: 10.1016/S0960-894X(97)00107-8
BindingDB Entry DOI: 10.7270/Q218370Q
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50291431
PNG
((S)-3-{(1S,2S)-2-[(S)-2-tert-Butoxycarbonylamino-3...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)[C@H](N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C#N
Show InChI InChI=1S/C36H47N7O7/c1-5-6-15-26(30(20-37)40-29(19-31(44)45)34(48)42-27(32(38)46)17-22-12-8-7-9-13-22)41-33(47)28(43-35(49)50-36(2,3)4)18-23-21-39-25-16-11-10-14-24(23)25/h7-14,16,21,26-30,39-40H,5-6,15,17-19H2,1-4H3,(H2,38,46)(H,41,47)(H,42,48)(H,43,49)(H,44,45)/t26-,27-,28-,29-,30+/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of specific [3H]propionyl-CCK-8 binding to rat pancreas membrane Cholecystokinin type A receptor


Bioorg Med Chem Lett 7: 855-860 (1997)


Article DOI: 10.1016/S0960-894X(97)00107-8
BindingDB Entry DOI: 10.7270/Q218370Q
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50291423
PNG
((S)-3-{(1R,2S)-2-[(S)-2-tert-Butoxycarbonylamino-3...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)[C@@H](N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C#N
Show InChI InChI=1S/C36H47N7O7/c1-5-6-15-26(30(20-37)40-29(19-31(44)45)34(48)42-27(32(38)46)17-22-12-8-7-9-13-22)41-33(47)28(43-35(49)50-36(2,3)4)18-23-21-39-25-16-11-10-14-24(23)25/h7-14,16,21,26-30,39-40H,5-6,15,17-19H2,1-4H3,(H2,38,46)(H,41,47)(H,42,48)(H,43,49)(H,44,45)/t26-,27-,28-,29-,30-/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of specific [3H]propionyl-CCK-8 binding to rat pancreas membrane Cholecystokinin type A receptor


Bioorg Med Chem Lett 7: 855-860 (1997)


Article DOI: 10.1016/S0960-894X(97)00107-8
BindingDB Entry DOI: 10.7270/Q218370Q
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50291422
PNG
(CHEMBL168592 | [(1S,2S)-2-((S)-1-Carbamoyl-2-pheny...)
Show SMILES NC(=O)[C@H](Cc1ccccc1)N[C@H](C#N)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C29H29N5O3/c30-17-27(33-26(28(31)35)15-20-9-3-1-4-10-20)25(16-22-18-32-24-14-8-7-13-23(22)24)34-29(36)37-19-21-11-5-2-6-12-21/h1-14,18,25-27,32-33H,15-16,19H2,(H2,31,35)(H,34,36)/t25-,26-,27+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of specific [3H]propionyl-CCK-8 binding to rat pancreas membrane Cholecystokinin type A receptor


Bioorg Med Chem Lett 7: 855-860 (1997)


Article DOI: 10.1016/S0960-894X(97)00107-8
BindingDB Entry DOI: 10.7270/Q218370Q
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50291422
PNG
(CHEMBL168592 | [(1S,2S)-2-((S)-1-Carbamoyl-2-pheny...)
Show SMILES NC(=O)[C@H](Cc1ccccc1)N[C@H](C#N)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C29H29N5O3/c30-17-27(33-26(28(31)35)15-20-9-3-1-4-10-20)25(16-22-18-32-24-14-8-7-13-23(22)24)34-29(36)37-19-21-11-5-2-6-12-21/h1-14,18,25-27,32-33H,15-16,19H2,(H2,31,35)(H,34,36)/t25-,26-,27+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of specific [3H]propionyl-CCK-8 binding to rat cerebral cortex membrane Cholecystokinin type B receptor


Bioorg Med Chem Lett 7: 855-860 (1997)


Article DOI: 10.1016/S0960-894X(97)00107-8
BindingDB Entry DOI: 10.7270/Q218370Q
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50291430
PNG
(CHEMBL354817 | [(1S,2R)-2-((S)-1-Carbamoyl-2-pheny...)
Show SMILES NC(=O)[C@H](Cc1ccccc1)N[C@@H](C#N)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C29H29N5O3/c30-17-27(33-26(28(31)35)15-20-9-3-1-4-10-20)25(16-22-18-32-24-14-8-7-13-23(22)24)34-29(36)37-19-21-11-5-2-6-12-21/h1-14,18,25-27,32-33H,15-16,19H2,(H2,31,35)(H,34,36)/t25-,26-,27-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of specific [3H]propionyl-CCK-8 binding to rat cerebral cortex membrane Cholecystokinin type B receptor


Bioorg Med Chem Lett 7: 855-860 (1997)


Article DOI: 10.1016/S0960-894X(97)00107-8
BindingDB Entry DOI: 10.7270/Q218370Q
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50291429
PNG
((S)-3-[(1S,2S)-2-Benzyloxycarbonylamino-1-cyano-3-...)
Show SMILES NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)N[C@H](C#N)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C33H34N6O6/c34-18-29(37-28(17-30(40)41)32(43)38-27(31(35)42)15-21-9-3-1-4-10-21)26(16-23-19-36-25-14-8-7-13-24(23)25)39-33(44)45-20-22-11-5-2-6-12-22/h1-14,19,26-29,36-37H,15-17,20H2,(H2,35,42)(H,38,43)(H,39,44)(H,40,41)/t26-,27-,28-,29+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of specific [3H]propionyl-CCK-8 binding to rat cerebral cortex membrane Cholecystokinin type B receptor


Bioorg Med Chem Lett 7: 855-860 (1997)


Article DOI: 10.1016/S0960-894X(97)00107-8
BindingDB Entry DOI: 10.7270/Q218370Q
More data for this
Ligand-Target Pair
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