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19 similar compounds to monomer 50046128

Compile data set for download or QSAR
Wt: 1007.1
BDBM50455666
Wt: 1106.2
BDBM50046115
Wt: 1054.2
BDBM50003665
Wt: 1054.2
BDBM50003670
Wt: 953.0
BDBM50003196
Wt: 939.0
BDBM50003198
Wt: 1056.1
BDBM50003200
Wt: 981.1
BDBM50003203
Wt: 993.1
BDBM50003204
Wt: 967.0
BDBM50003205
Wt: 924.9
BDBM50003206
Wt: 1031.1
BDBM50016505
Wt: 1031.1
BDBM50016506
Wt: 1177.3
BDBM50007932
Wt: 275.7
BDBM50007927
Displayed 1 to 15 (of 18 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 27 hits for monomerid = 50455666,50046115,50003665,50003670,50003196,50003198,50003200,50003203,50003204,50003205,50003206,50016505,50016506,50007932,50007927   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50046115
PNG
(2-[2-(2-{2-[2-[2-(2-Amino-3-carboxy-propionylamino...)
Show SMILES CCCC[C@H](NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCC)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC)C(=O)N[C@@H](Cc1ccc(cc1)S(O)(=O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C52H67N9O16S/c1-4-6-16-36(47(68)58-39(50(71)61-42(52(73)74)27-45(65)66)24-31-19-21-33(22-20-31)78(75,76)77)56-43(62)29-55-46(67)40(25-32-28-54-35-18-12-11-15-34(32)35)59-48(69)37(17-7-5-2)57-51(72)41(26-44(63)64)60-49(70)38(53-3)23-30-13-9-8-10-14-30/h8-15,18-22,28,36-42,53-54H,4-7,16-17,23-27,29H2,1-3H3,(H,55,67)(H,56,62)(H,57,72)(H,58,68)(H,59,69)(H,60,70)(H,61,71)(H,63,64)(H,65,66)(H,73,74)(H,75,76,77)/t36-,37-,38-,39-,40-,41-,42-/m0/s1
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1n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]pCCK-8 from cholecystokinin type B receptor in guinea pig brain membrane


J Med Chem 36: 166-72 (1993)


Article DOI: 10.1021/jm00053a022
BindingDB Entry DOI: 10.7270/Q26M37FJ
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50016506
PNG
(CHEMBL262687 | Sodium; (4-{2-(2-acetylamino-3-carb...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(CS([O-])(=O)=O)cc1)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C50H65N9O13S/c1-4-6-16-37(56-48(67)40(54-30(3)60)24-32-19-21-33(22-20-32)29-73(70,71)72)46(65)53-28-43(61)55-41(25-34-27-52-36-18-12-11-15-35(34)36)49(68)57-38(17-7-5-2)47(66)59-42(26-44(62)63)50(69)58-39(45(51)64)23-31-13-9-8-10-14-31/h8-15,18-22,27,37-42,52H,4-7,16-17,23-26,28-29H2,1-3H3,(H2,51,64)(H,53,65)(H,54,60)(H,55,61)(H,56,67)(H,57,68)(H,58,69)(H,59,66)(H,62,63)(H,70,71,72)/p-1/t37-,38-,39-,40-,41-,42-/m0/s1
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1.70n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of [3H]-Propionyl specific binding to Cholecystokinin 8 receptor of guinea pig pancreatic membrane


J Med Chem 32: 445-9 (1989)


Article DOI: 10.1021/jm00122a026
BindingDB Entry DOI: 10.7270/Q2S181GT
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50016506
PNG
(CHEMBL262687 | Sodium; (4-{2-(2-acetylamino-3-carb...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(CS([O-])(=O)=O)cc1)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C50H65N9O13S/c1-4-6-16-37(56-48(67)40(54-30(3)60)24-32-19-21-33(22-20-32)29-73(70,71)72)46(65)53-28-43(61)55-41(25-34-27-52-36-18-12-11-15-35(34)36)49(68)57-38(17-7-5-2)47(66)59-42(26-44(62)63)50(69)58-39(45(51)64)23-31-13-9-8-10-14-31/h8-15,18-22,27,37-42,52H,4-7,16-17,23-26,28-29H2,1-3H3,(H2,51,64)(H,53,65)(H,54,60)(H,55,61)(H,56,67)(H,57,68)(H,58,69)(H,59,66)(H,62,63)(H,70,71,72)/p-1/t37-,38-,39-,40-,41-,42-/m0/s1
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3.20n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of [3H]-Propionyl specific binding to CCK-8 receptor of guinea pig pancreatic membrane


J Med Chem 32: 445-9 (1989)


Article DOI: 10.1021/jm00122a026
BindingDB Entry DOI: 10.7270/Q2S181GT
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50016505
PNG
(CHEMBL217767 | Sodium; (4-{2-(2-acetylamino-3-carb...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](Cc1ccc(CS([O-])(=O)=O)cc1)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C50H65N9O13S/c1-4-6-16-37(56-48(67)40(54-30(3)60)24-32-19-21-33(22-20-32)29-73(70,71)72)46(65)53-28-43(61)55-41(25-34-27-52-36-18-12-11-15-35(34)36)49(68)57-38(17-7-5-2)47(66)59-42(26-44(62)63)50(69)58-39(45(51)64)23-31-13-9-8-10-14-31/h8-15,18-22,27,37-42,52H,4-7,16-17,23-26,28-29H2,1-3H3,(H2,51,64)(H,53,65)(H,54,60)(H,55,61)(H,56,67)(H,57,68)(H,58,69)(H,59,66)(H,62,63)(H,70,71,72)/p-1/t37-,38-,39-,40+,41-,42-/m0/s1
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16n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of [3H]-Propionyl specific binding to Cholecystokinin 8 receptor of guinea pig pancreatic membrane


J Med Chem 32: 445-9 (1989)


Article DOI: 10.1021/jm00122a026
BindingDB Entry DOI: 10.7270/Q2S181GT
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50016505
PNG
(CHEMBL217767 | Sodium; (4-{2-(2-acetylamino-3-carb...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](Cc1ccc(CS([O-])(=O)=O)cc1)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C50H65N9O13S/c1-4-6-16-37(56-48(67)40(54-30(3)60)24-32-19-21-33(22-20-32)29-73(70,71)72)46(65)53-28-43(61)55-41(25-34-27-52-36-18-12-11-15-35(34)36)49(68)57-38(17-7-5-2)47(66)59-42(26-44(62)63)50(69)58-39(45(51)64)23-31-13-9-8-10-14-31/h8-15,18-22,27,37-42,52H,4-7,16-17,23-26,28-29H2,1-3H3,(H2,51,64)(H,53,65)(H,54,60)(H,55,61)(H,56,67)(H,57,68)(H,58,69)(H,59,66)(H,62,63)(H,70,71,72)/p-1/t37-,38-,39-,40+,41-,42-/m0/s1
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19n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of [3H]-Propionyl specific binding to Cholecystokinin 8 receptor of guinea pig brain


J Med Chem 32: 445-9 (1989)


Article DOI: 10.1021/jm00122a026
BindingDB Entry DOI: 10.7270/Q2S181GT
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)
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
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50007927
PNG
(CHEMBL1204087)
Show SMILES Cl.COc1cc(C(O)=O)c(OC)cc1CC(C)N
Show InChI InChI=1S/C42H59N9O13S/c1-5-6-11-29(48-39(58)32(51-41(60)64-42(2,3)4)19-24-14-16-26(17-15-24)65(61,62)63)37(56)46-23-34(52)47-33(20-25-22-45-28-12-8-7-10-27(25)28)40(59)49-30(13-9-18-43)38(57)50-31(36(44)55)21-35(53)54/h7-8,10,12,14-17,22,29-33,45H,5-6,9,11,13,18-21,23,43H2,1-4H3,(H2,44,55)(H,46,56)(H,47,52)(H,48,58)(H,49,59)(H,50,57)(H,51,60)(H,53,54)(H,61,62,63)/t29-,30-,31-,32-,33-/m0/s1
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>5.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2 receptor of rat frontal cortex using [3H]ketanserin radioligand


J Med Chem 33: 1032-6 (1990)


Article DOI: 10.1021/jm00165a023
More data for this
Ligand-Target Pair
Cholecystokinin 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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n/an/a 4.40n/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)


Article DOI: 10.1021/jm00099a005
BindingDB Entry DOI: 10.7270/Q2CC0ZMG
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50003206
PNG
(CHEMBL338056 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-{2...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=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/C41H48N8O13S2/c1-63-16-15-29(38(55)48-33(20-35(51)52)40(57)47-30(36(42)53)17-23-7-3-2-4-8-23)46-39(56)32(19-25-21-43-28-10-6-5-9-27(25)28)45-34(50)22-44-37(54)31(49-41(58)59)18-24-11-13-26(14-12-24)64(60,61)62/h2-14,21,29-33,43,49H,15-20,22H2,1H3,(H2,42,53)(H,44,54)(H,45,50)(H,46,56)(H,47,57)(H,48,55)(H,51,52)(H,58,59)(H,60,61,62)/t29-,30-,31-,32-,33-/m0/s1
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n/an/a 1.20E+3n/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)


Article DOI: 10.1021/jm00099a005
BindingDB Entry DOI: 10.7270/Q2CC0ZMG
More data for this
Ligand-Target Pair
Cholecystokinin 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)


Article DOI: 10.1021/jm00099a005
BindingDB Entry DOI: 10.7270/Q2CC0ZMG
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(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)


Article DOI: 10.1021/jm00099a005
BindingDB Entry DOI: 10.7270/Q2CC0ZMG
More data for this
Ligand-Target Pair
Cholecystokinin B receptor


(Bos taurus)
BDBM50003198
PNG
(CHEMBL124719 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-{2...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=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/C42H50N8O13S2/c1-64-18-16-30(39(56)49-34(22-36(52)53)41(58)48-31(37(43)54)19-24-7-3-2-4-8-24)47-40(57)33(21-26-23-45-29-10-6-5-9-28(26)29)46-35(51)15-17-44-38(55)32(50-42(59)60)20-25-11-13-27(14-12-25)65(61,62)63/h2-14,23,30-34,45,50H,15-22H2,1H3,(H2,43,54)(H,44,55)(H,46,51)(H,47,57)(H,48,58)(H,49,56)(H,52,53)(H,59,60)(H,61,62,63)/t30-,31-,32-,33-,34-/m0/s1
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n/an/a 3.60E+3n/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)


Article DOI: 10.1021/jm00099a005
BindingDB Entry DOI: 10.7270/Q2CC0ZMG
More data for this
Ligand-Target Pair
Cholecystokinin 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)


Article DOI: 10.1021/jm00100a033
BindingDB Entry DOI: 10.7270/Q2Z60N07
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(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)


Article DOI: 10.1021/jm00100a033
BindingDB Entry DOI: 10.7270/Q2Z60N07
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(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)


Article DOI: 10.1021/jm00100a033
BindingDB Entry DOI: 10.7270/Q2Z60N07
More data for this
Ligand-Target Pair
Cholecystokinin 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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n/an/a 4.40n/an/an/an/an/an/a



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)


Article DOI: 10.1021/jm00100a033
BindingDB Entry DOI: 10.7270/Q2Z60N07
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50455666
PNG
(CHEMBL2111823)
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+/m1/s1
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n/an/a 165n/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)


Article DOI: 10.1021/jm00099a005
BindingDB Entry DOI: 10.7270/Q2CC0ZMG
More data for this
Ligand-Target Pair
Cholecystokinin B receptor


(Bos taurus)
BDBM50003206
PNG
(CHEMBL338056 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-{2...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=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/C41H48N8O13S2/c1-63-16-15-29(38(55)48-33(20-35(51)52)40(57)47-30(36(42)53)17-23-7-3-2-4-8-23)46-39(56)32(19-25-21-43-28-10-6-5-9-27(25)28)45-34(50)22-44-37(54)31(49-41(58)59)18-24-11-13-26(14-12-24)64(60,61)62/h2-14,21,29-33,43,49H,15-20,22H2,1H3,(H2,42,53)(H,44,54)(H,45,50)(H,46,56)(H,47,57)(H,48,55)(H,51,52)(H,58,59)(H,60,61,62)/t29-,30-,31-,32-,33-/m0/s1
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n/an/a 1.30E+3n/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)


Article DOI: 10.1021/jm00099a005
BindingDB Entry DOI: 10.7270/Q2CC0ZMG
More data for this
Ligand-Target Pair
Cholecystokinin 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)


Article DOI: 10.1021/jm00099a005
BindingDB Entry DOI: 10.7270/Q2CC0ZMG
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(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)


Article DOI: 10.1021/jm00099a005
BindingDB Entry DOI: 10.7270/Q2CC0ZMG
More data for this
Ligand-Target Pair
Cholecystokinin 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)


Article DOI: 10.1021/jm00099a005
BindingDB Entry DOI: 10.7270/Q2CC0ZMG
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
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 360n/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)


Article DOI: 10.1021/jm00099a005
BindingDB Entry DOI: 10.7270/Q2CC0ZMG
More data for this
Ligand-Target Pair
Cholecystokinin 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)


Article DOI: 10.1021/jm00099a005
BindingDB Entry DOI: 10.7270/Q2CC0ZMG
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(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)


Article DOI: 10.1021/jm00099a005
BindingDB Entry DOI: 10.7270/Q2CC0ZMG
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50003198
PNG
(CHEMBL124719 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-{2...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=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/C42H50N8O13S2/c1-64-18-16-30(39(56)49-34(22-36(52)53)41(58)48-31(37(43)54)19-24-7-3-2-4-8-24)47-40(57)33(21-26-23-45-29-10-6-5-9-28(26)29)46-35(51)15-17-44-38(55)32(50-42(59)60)20-25-11-13-27(14-12-25)65(61,62)63/h2-14,23,30-34,45,50H,15-22H2,1H3,(H2,43,54)(H,44,55)(H,46,51)(H,47,57)(H,48,58)(H,49,56)(H,52,53)(H,59,60)(H,61,62,63)/t30-,31-,32-,33-,34-/m0/s1
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n/an/a 1.00E+4n/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)


Article DOI: 10.1021/jm00099a005
BindingDB Entry DOI: 10.7270/Q2CC0ZMG
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(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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n/an/a 4.90n/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)


Article DOI: 10.1021/jm00099a005
BindingDB Entry DOI: 10.7270/Q2CC0ZMG
More data for this
Ligand-Target Pair