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96 similar compounds to monomer 50002483

Compile data set for download or QSAR
Wt: 678.7
BDBM50011197
Wt: 827.9
BDBM81869
Wt: 853.9
BDBM81870
Wt: 643.7
BDBM50026283
Wt: 678.7
BDBM50024330
Wt: 838.9
BDBM50002482
Wt: 853.9
BDBM50002485
Wt: 847.9
BDBM50002494
Wt: 855.9
BDBM50002499
Wt: 829.9
BDBM50002500
Wt: 934.0
BDBM50002501
Wt: 847.9
BDBM50002504
Wt: 839.9
BDBM50002507
Wt: 862.9
BDBM50002511
Wt: 831.9
BDBM50002512
Displayed 1 to 15 (of 96 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 30 hits for monomerid = 50011197,81869,81870,50026283,50024330,50002482,50002485,50002494,50002499,50002500,50002501,50002504,50002507,50002511,50002512   
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
CCKBR


(GUINEA PIG)
BDBM81870
PNG
(A-70874 | CAS_6439313 | NSC_6439313)
Show SMILES CNC(Cc1ccccc1)C(=O)N(C(=O)C(CC(O)=O)NC(=O)C(N)CCCCNC(=O)C=Cc1ccc(O)cc1)C(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C45H55N7O10/c1-45(2,3)62-44(61)51-36(25-30-27-49-34-16-9-8-14-32(30)34)42(59)52(41(58)35(47-4)24-29-12-6-5-7-13-29)43(60)37(26-39(55)56)50-40(57)33(46)15-10-11-23-48-38(54)22-19-28-17-20-31(53)21-18-28/h5-9,12-14,16-22,27,33,35-37,47,49,53H,10-11,15,23-26,46H2,1-4H3,(H,48,54)(H,50,57)(H,51,61)(H,55,56)/b22-19+
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4.90n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




Mol Pharmacol 39: 346-51 (1991)


BindingDB Entry DOI: 10.7270/Q2222S8S
More data for this
Ligand-Target Pair
CCKBR


(GUINEA PIG)
BDBM81869
PNG
(A-57282)
Show SMILES CC(C)(C)OC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N(C(=O)C(N)Cc1ccccc1)C(=O)C(CC(O)=O)NC(=O)C(N)CCCCNC(=O)OCc1ccccc1
Show InChI InChI=1S/C43H53N7O10/c1-43(2,3)60-42(58)49-34(23-29-25-47-33-20-11-10-18-30(29)33)39(55)50(38(54)32(45)22-27-14-6-4-7-15-27)40(56)35(24-36(51)52)48-37(53)31(44)19-12-13-21-46-41(57)59-26-28-16-8-5-9-17-28/h4-11,14-18,20,25,31-32,34-35,47H,12-13,19,21-24,26,44-45H2,1-3H3,(H,46,57)(H,48,53)(H,49,58)(H,51,52)
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510n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




Mol Pharmacol 39: 346-51 (1991)


BindingDB Entry DOI: 10.7270/Q2222S8S
More data for this
Ligand-Target Pair
CCKBR


(GUINEA PIG)
BDBM81870
PNG
(A-70874 | CAS_6439313 | NSC_6439313)
Show SMILES CNC(Cc1ccccc1)C(=O)N(C(=O)C(CC(O)=O)NC(=O)C(N)CCCCNC(=O)C=Cc1ccc(O)cc1)C(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C45H55N7O10/c1-45(2,3)62-44(61)51-36(25-30-27-49-34-16-9-8-14-32(30)34)42(59)52(41(58)35(47-4)24-29-12-6-5-7-13-29)43(60)37(26-39(55)56)50-40(57)33(46)15-10-11-23-48-38(54)22-19-28-17-20-31(53)21-18-28/h5-9,12-14,16-22,27,33,35-37,47,49,53H,10-11,15,23-26,46H2,1-4H3,(H,48,54)(H,50,57)(H,51,61)(H,55,56)/b22-19+
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710n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




Mol Pharmacol 39: 346-51 (1991)


BindingDB Entry DOI: 10.7270/Q2222S8S
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50002482
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)C=Cc1cccnc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C44H54N8O9/c1-44(2,3)61-43(60)51-34(24-30-27-48-32-17-9-8-16-31(30)32)41(58)49-33(18-10-11-22-47-37(53)20-19-29-15-12-21-46-26-29)40(57)50-35(25-38(54)55)42(59)52(4)36(39(45)56)23-28-13-6-5-7-14-28/h5-9,12-17,19-21,26-27,33-36,48H,10-11,18,22-25H2,1-4H3,(H2,45,56)(H,47,53)(H,49,58)(H,50,57)(H,51,60)(H,54,55)/t33-,34-,35-,36-/m0/s1
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n/an/a 28n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125I]BH-CCK-8 in guinea pig pancreas.


J Med Chem 35: 2007-14 (1992)


Article DOI: 10.1021/jm00089a010
BindingDB Entry DOI: 10.7270/Q21J9BDC
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50002507
PNG
(3-[2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)CCCc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C45H57N7O9/c1-45(2,3)61-44(60)52-36(26-31-28-48-33-21-11-10-20-32(31)33)42(58)49-34(22-12-13-24-47-38(53)23-14-19-29-15-6-4-7-16-29)41(57)51-37(27-39(54)55)43(59)50-35(40(46)56)25-30-17-8-5-9-18-30/h4-11,15-18,20-21,28,34-37,48H,12-14,19,22-27H2,1-3H3,(H2,46,56)(H,47,53)(H,49,58)(H,50,59)(H,51,57)(H,52,60)(H,54,55)/t34-,35-,36-,37-/m0/s1
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n/an/a 910n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125I]BH-CCK-8 in guinea pig pancreas.


J Med Chem 35: 2007-14 (1992)


Article DOI: 10.1021/jm00089a010
BindingDB Entry DOI: 10.7270/Q21J9BDC
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50002504
PNG
(3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)c1ccc2ccccc2c1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C46H53N7O9/c1-46(2,3)62-45(61)53-37(25-32-27-49-34-18-10-9-17-33(32)34)43(59)50-35(19-11-12-22-48-41(57)31-21-20-29-15-7-8-16-30(29)24-31)42(58)52-38(26-39(54)55)44(60)51-36(40(47)56)23-28-13-5-4-6-14-28/h4-10,13-18,20-21,24,27,35-38,49H,11-12,19,22-23,25-26H2,1-3H3,(H2,47,56)(H,48,57)(H,50,59)(H,51,60)(H,52,58)(H,53,61)(H,54,55)/t35-,36-,37-,38-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125I]BH-CCK-8 in guinea pig pancreas.


J Med Chem 35: 2007-14 (1992)


Article DOI: 10.1021/jm00089a010
BindingDB Entry DOI: 10.7270/Q21J9BDC
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50002494
PNG
(3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)c1cccc2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C46H53N7O9/c1-46(2,3)62-45(61)53-37(25-30-27-49-34-21-10-9-19-32(30)34)43(59)50-35(22-11-12-23-48-41(57)33-20-13-17-29-16-7-8-18-31(29)33)42(58)52-38(26-39(54)55)44(60)51-36(40(47)56)24-28-14-5-4-6-15-28/h4-10,13-21,27,35-38,49H,11-12,22-26H2,1-3H3,(H2,47,56)(H,48,57)(H,50,59)(H,51,60)(H,52,58)(H,53,61)(H,54,55)/t35-,36-,37-,38-/m0/s1
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n/an/a 57n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125I]BH-CCK-8 in guinea pig pancreas.


J Med Chem 35: 2007-14 (1992)


Article DOI: 10.1021/jm00089a010
BindingDB Entry DOI: 10.7270/Q21J9BDC
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50002512
PNG
(3-[2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)CCC1CCCCC1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C44H61N7O9/c1-44(2,3)60-43(59)51-35(25-30-27-47-32-19-11-10-18-31(30)32)41(57)48-33(20-12-13-23-46-37(52)22-21-28-14-6-4-7-15-28)40(56)50-36(26-38(53)54)42(58)49-34(39(45)55)24-29-16-8-5-9-17-29/h5,8-11,16-19,27-28,33-36,47H,4,6-7,12-15,20-26H2,1-3H3,(H2,45,55)(H,46,52)(H,48,57)(H,49,58)(H,50,56)(H,51,59)(H,53,54)/t33-,34-,35-,36-/m0/s1
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n/an/a 310n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125I]BH-CCK-8 in guinea pig pancreas.


J Med Chem 35: 2007-14 (1992)


Article DOI: 10.1021/jm00089a010
BindingDB Entry DOI: 10.7270/Q21J9BDC
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50002499
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)CCc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C45H57N7O10/c1-45(2,3)62-44(61)51-35(25-30-27-48-33-15-9-8-14-32(30)33)42(59)49-34(16-10-11-23-47-38(54)22-19-28-17-20-31(53)21-18-28)41(58)50-36(26-39(55)56)43(60)52(4)37(40(46)57)24-29-12-6-5-7-13-29/h5-9,12-15,17-18,20-21,27,34-37,48,53H,10-11,16,19,22-26H2,1-4H3,(H2,46,57)(H,47,54)(H,49,59)(H,50,58)(H,51,61)(H,55,56)/t34-,35-,36-,37-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125I]BH-CCK-8 in guinea pig pancreas.


J Med Chem 35: 2007-14 (1992)


Article DOI: 10.1021/jm00089a010
BindingDB Entry DOI: 10.7270/Q21J9BDC
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50002500
PNG
(3-[2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)C=Cc1cccs1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C42H51N7O9S/c1-42(2,3)58-41(57)49-33(23-27-25-45-30-16-8-7-15-29(27)30)39(55)46-31(17-9-10-20-44-35(50)19-18-28-14-11-21-59-28)38(54)48-34(24-36(51)52)40(56)47-32(37(43)53)22-26-12-5-4-6-13-26/h4-8,11-16,18-19,21,25,31-34,45H,9-10,17,20,22-24H2,1-3H3,(H2,43,53)(H,44,50)(H,46,55)(H,47,56)(H,48,54)(H,49,57)(H,51,52)/t31-,32-,33-,34-/m0/s1
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n/an/a 50n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125I]BH-CCK-8 in guinea pig pancreas.


J Med Chem 35: 2007-14 (1992)


Article DOI: 10.1021/jm00089a010
BindingDB Entry DOI: 10.7270/Q21J9BDC
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50002511
PNG
(3-[2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)C=Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C46H54N8O9/c1-46(2,3)63-45(62)54-37(24-30-27-50-34-18-10-8-16-32(30)34)43(60)51-35(19-11-12-22-48-39(55)21-20-29-26-49-33-17-9-7-15-31(29)33)42(59)53-38(25-40(56)57)44(61)52-36(41(47)58)23-28-13-5-4-6-14-28/h4-10,13-18,20-21,26-27,35-38,49-50H,11-12,19,22-25H2,1-3H3,(H2,47,58)(H,48,55)(H,51,60)(H,52,61)(H,53,59)(H,54,62)(H,56,57)/t35-,36-,37-,38-/m0/s1
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n/an/a 19n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125I]BH-CCK-8 in guinea pig pancreas.


J Med Chem 35: 2007-14 (1992)


Article DOI: 10.1021/jm00089a010
BindingDB Entry DOI: 10.7270/Q21J9BDC
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50002511
PNG
(3-[2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)C=Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C46H54N8O9/c1-46(2,3)63-45(62)54-37(24-30-27-50-34-18-10-8-16-32(30)34)43(60)51-35(19-11-12-22-48-39(55)21-20-29-26-49-33-17-9-7-15-31(29)33)42(59)53-38(25-40(56)57)44(61)52-36(41(47)58)23-28-13-5-4-6-14-28/h4-10,13-18,20-21,26-27,35-38,49-50H,11-12,19,22-25H2,1-3H3,(H2,47,58)(H,48,55)(H,51,60)(H,52,61)(H,53,59)(H,54,62)(H,56,57)/t35-,36-,37-,38-/m0/s1
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n/an/a 4.70E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125I]BH-CCK-8 in guinea pig cortex


J Med Chem 35: 2007-14 (1992)


Article DOI: 10.1021/jm00089a010
BindingDB Entry DOI: 10.7270/Q21J9BDC
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50002501
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)C=Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C45H55N7O13S/c1-45(2,3)64-44(60)51-35(25-30-27-48-33-15-9-8-14-32(30)33)42(58)49-34(16-10-11-23-47-38(53)22-19-28-17-20-31(21-18-28)65-66(61,62)63)41(57)50-36(26-39(54)55)43(59)52(4)37(40(46)56)24-29-12-6-5-7-13-29/h5-9,12-15,17-22,27,34-37,48H,10-11,16,23-26H2,1-4H3,(H2,46,56)(H,47,53)(H,49,58)(H,50,57)(H,51,60)(H,54,55)(H,61,62,63)/t34-,35-,36-,37-/m0/s1
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n/an/a 22n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125I]BH-CCK-8 in guinea pig pancreas.


J Med Chem 35: 2007-14 (1992)


Article DOI: 10.1021/jm00089a010
BindingDB Entry DOI: 10.7270/Q21J9BDC
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50024330
PNG
(3-(3-Benzyl-ureido)-3-{2-[2-tert-butoxycarbonylami...)
Show SMILES CC(C)C[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/c1-20(2)15-26(31(45)40-28(18-29(42)43)33(47)38-25(30(36)44)16-21-11-7-6-8-12-21)39-32(46)27(41-34(48)49-35(3,4)5)17-22-19-37-24-14-10-9-13-23(22)24/h6-14,19-20,25-28,37H,15-18H2,1-5H3,(H2,36,44)(H,38,47)(H,39,46)(H,40,45)(H,41,48)(H,42,43)/t25-,26-,27-,28-/m0/s1
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n/an/a 500n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Invitro inhibition of binding of [125I]-(Nle)-HG-13 labeled Cholecystokinin type B receptor on isolated gastric mucosal cells of rabbit


J Med Chem 32: 522-8 (1989)


Article DOI: 10.1021/jm00123a003
BindingDB Entry DOI: 10.7270/Q2MW2G4H
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50024330
PNG
(3-(3-Benzyl-ureido)-3-{2-[2-tert-butoxycarbonylami...)
Show SMILES CC(C)C[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/c1-20(2)15-26(31(45)40-28(18-29(42)43)33(47)38-25(30(36)44)16-21-11-7-6-8-12-21)39-32(46)27(41-34(48)49-35(3,4)5)17-22-19-37-24-14-10-9-13-23(22)24/h6-14,19-20,25-28,37H,15-18H2,1-5H3,(H2,36,44)(H,38,47)(H,39,46)(H,40,45)(H,41,48)(H,42,43)/t25-,26-,27-,28-/m0/s1
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n/an/a 300n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity for binding of [125I]-(Nle11)-HG-13 to gastrin receptor on isolated rabbit gastric mucosal cells.


J Med Chem 30: 758-63 (1987)


Article DOI: 10.1021/jm00388a002
BindingDB Entry DOI: 10.7270/Q2CV4GRT
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
Histamine H2 receptor


(RAT)
BDBM50026283
PNG
(1-(2-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-...)
Show SMILES CC(C)C[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)N1CCCC[C@H]1C(O)=O
Show InChI InChI=1S/C32H45N5O9/c1-18(2)14-22(27(40)35-24(16-26(38)39)29(42)37-13-9-8-12-25(37)30(43)44)34-28(41)23(36-31(45)46-32(3,4)5)15-19-17-33-21-11-7-6-10-20(19)21/h6-7,10-11,17-18,22-25,33H,8-9,12-16H2,1-5H3,(H,34,41)(H,35,40)(H,36,45)(H,38,39)(H,43,44)/t22-,23-,24-,25-/m0/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [125I](Nle11)-HG-13 to Histamine H2 receptor in vitro


J Med Chem 28: 273-8 (1985)


Article DOI: 10.1021/jm00381a002
BindingDB Entry DOI: 10.7270/Q2ST7QC9
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50002494
PNG
(3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)c1cccc2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C46H53N7O9/c1-46(2,3)62-45(61)53-37(25-30-27-49-34-21-10-9-19-32(30)34)43(59)50-35(22-11-12-23-48-41(57)33-20-13-17-29-16-7-8-18-31(29)33)42(58)52-38(26-39(54)55)44(60)51-36(40(47)56)24-28-14-5-4-6-15-28/h4-10,13-21,27,35-38,49H,11-12,22-26H2,1-3H3,(H2,47,56)(H,48,57)(H,50,59)(H,51,60)(H,52,58)(H,53,61)(H,54,55)/t35-,36-,37-,38-/m0/s1
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n/an/a 4.30E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125I]BH-CCK-8 in guinea pig cortex


J Med Chem 35: 2007-14 (1992)


Article DOI: 10.1021/jm00089a010
BindingDB Entry DOI: 10.7270/Q21J9BDC
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50002499
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)CCc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C45H57N7O10/c1-45(2,3)62-44(61)51-35(25-30-27-48-33-15-9-8-14-32(30)33)42(59)49-34(16-10-11-23-47-38(54)22-19-28-17-20-31(53)21-18-28)41(58)50-36(26-39(55)56)43(60)52(4)37(40(46)57)24-29-12-6-5-7-13-29/h5-9,12-15,17-18,20-21,27,34-37,48,53H,10-11,16,19,22-26H2,1-4H3,(H2,46,57)(H,47,54)(H,49,59)(H,50,58)(H,51,61)(H,55,56)/t34-,35-,36-,37-/m0/s1
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n/an/a 3.60E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125I]BH-CCK-8 in guinea pig cortex


J Med Chem 35: 2007-14 (1992)


Article DOI: 10.1021/jm00089a010
BindingDB Entry DOI: 10.7270/Q21J9BDC
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50002501
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)C=Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C45H55N7O13S/c1-45(2,3)64-44(60)51-35(25-30-27-48-33-15-9-8-14-32(30)33)42(58)49-34(16-10-11-23-47-38(53)22-19-28-17-20-31(21-18-28)65-66(61,62)63)41(57)50-36(26-39(54)55)43(59)52(4)37(40(46)56)24-29-12-6-5-7-13-29/h5-9,12-15,17-22,27,34-37,48H,10-11,16,23-26H2,1-4H3,(H2,46,56)(H,47,53)(H,49,58)(H,50,57)(H,51,60)(H,54,55)(H,61,62,63)/t34-,35-,36-,37-/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125I]BH-CCK-8 in guinea pig cortex


J Med Chem 35: 2007-14 (1992)


Article DOI: 10.1021/jm00089a010
BindingDB Entry DOI: 10.7270/Q21J9BDC
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50002485
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)C=Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C45H55N7O10/c1-45(2,3)62-44(61)51-35(25-30-27-48-33-15-9-8-14-32(30)33)42(59)49-34(16-10-11-23-47-38(54)22-19-28-17-20-31(53)21-18-28)41(58)50-36(26-39(55)56)43(60)52(4)37(40(46)57)24-29-12-6-5-7-13-29/h5-9,12-15,17-22,27,34-37,48,53H,10-11,16,23-26H2,1-4H3,(H2,46,57)(H,47,54)(H,49,59)(H,50,58)(H,51,61)(H,55,56)/t34-,35-,36-,37-/m0/s1
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n/an/a 710n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125I]BH-CCK-8 in guinea pig cortex


J Med Chem 35: 2007-14 (1992)


Article DOI: 10.1021/jm00089a010
BindingDB Entry DOI: 10.7270/Q21J9BDC
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50002512
PNG
(3-[2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)CCC1CCCCC1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C44H61N7O9/c1-44(2,3)60-43(59)51-35(25-30-27-47-32-19-11-10-18-31(30)32)41(57)48-33(20-12-13-23-46-37(52)22-21-28-14-6-4-7-15-28)40(56)50-36(26-38(53)54)42(58)49-34(39(45)55)24-29-16-8-5-9-17-29/h5,8-11,16-19,27-28,33-36,47H,4,6-7,12-15,20-26H2,1-3H3,(H2,45,55)(H,46,52)(H,48,57)(H,49,58)(H,50,56)(H,51,59)(H,53,54)/t33-,34-,35-,36-/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125I]BH-CCK-8 in guinea pig cortex


J Med Chem 35: 2007-14 (1992)


Article DOI: 10.1021/jm00089a010
BindingDB Entry DOI: 10.7270/Q21J9BDC
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50002507
PNG
(3-[2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)CCCc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C45H57N7O9/c1-45(2,3)61-44(60)52-36(26-31-28-48-33-21-11-10-20-32(31)33)42(58)49-34(22-12-13-24-47-38(53)23-14-19-29-15-6-4-7-16-29)41(57)51-37(27-39(54)55)43(59)50-35(40(46)56)25-30-17-8-5-9-18-30/h4-11,15-18,20-21,28,34-37,48H,12-14,19,22-27H2,1-3H3,(H2,46,56)(H,47,53)(H,49,58)(H,50,59)(H,51,57)(H,52,60)(H,54,55)/t34-,35-,36-,37-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125I]BH-CCK-8 in guinea pig cortex


J Med Chem 35: 2007-14 (1992)


Article DOI: 10.1021/jm00089a010
BindingDB Entry DOI: 10.7270/Q21J9BDC
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50002504
PNG
(3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)c1ccc2ccccc2c1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C46H53N7O9/c1-46(2,3)62-45(61)53-37(25-32-27-49-34-18-10-9-17-33(32)34)43(59)50-35(19-11-12-22-48-41(57)31-21-20-29-15-7-8-16-30(29)24-31)42(58)52-38(26-39(54)55)44(60)51-36(40(47)56)23-28-13-5-4-6-14-28/h4-10,13-18,20-21,24,27,35-38,49H,11-12,19,22-23,25-26H2,1-3H3,(H2,47,56)(H,48,57)(H,50,59)(H,51,60)(H,52,58)(H,53,61)(H,54,55)/t35-,36-,37-,38-/m0/s1
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n/an/a 2.70E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125I]BH-CCK-8 in guinea pig cortex


J Med Chem 35: 2007-14 (1992)


Article DOI: 10.1021/jm00089a010
BindingDB Entry DOI: 10.7270/Q21J9BDC
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50002500
PNG
(3-[2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)C=Cc1cccs1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C42H51N7O9S/c1-42(2,3)58-41(57)49-33(23-27-25-45-30-16-8-7-15-29(27)30)39(55)46-31(17-9-10-20-44-35(50)19-18-28-14-11-21-59-28)38(54)48-34(24-36(51)52)40(56)47-32(37(43)53)22-26-12-5-4-6-13-26/h4-8,11-16,18-19,21,25,31-34,45H,9-10,17,20,22-24H2,1-3H3,(H2,43,53)(H,44,50)(H,46,55)(H,47,56)(H,48,54)(H,49,57)(H,51,52)/t31-,32-,33-,34-/m0/s1
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n/an/a 840n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125I]BH-CCK-8 in guinea pig cortex


J Med Chem 35: 2007-14 (1992)


Article DOI: 10.1021/jm00089a010
BindingDB Entry DOI: 10.7270/Q21J9BDC
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50002482
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)C=Cc1cccnc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C44H54N8O9/c1-44(2,3)61-43(60)51-34(24-30-27-48-32-17-9-8-16-31(30)32)41(58)49-33(18-10-11-22-47-37(53)20-19-29-15-12-21-46-26-29)40(57)50-35(25-38(54)55)42(59)52(4)36(39(45)56)23-28-13-6-5-7-14-28/h5-9,12-17,19-21,26-27,33-36,48H,10-11,18,22-25H2,1-4H3,(H2,45,56)(H,47,53)(H,49,58)(H,50,57)(H,51,60)(H,54,55)/t33-,34-,35-,36-/m0/s1
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n/an/a 120n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125I]BH-CCK-8 in guinea pig cortex


J Med Chem 35: 2007-14 (1992)


Article DOI: 10.1021/jm00089a010
BindingDB Entry DOI: 10.7270/Q21J9BDC
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



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity in cortical cholecystokinin type B receptor in guinea pig


J Med Chem 34: 455-7 (1991)


Article DOI: 10.1021/jm00105a068
BindingDB Entry DOI: 10.7270/Q24X56RD
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
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n/an/a 4.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity in pancreatic cholecystokinin type A receptor in guinea pig


J Med Chem 34: 455-7 (1991)


Article DOI: 10.1021/jm00105a068
BindingDB Entry DOI: 10.7270/Q24X56RD
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
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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 A receptor


(Cavia porcellus)
BDBM50002485
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)C=Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C45H55N7O10/c1-45(2,3)62-44(61)51-35(25-30-27-48-33-15-9-8-14-32(30)33)42(59)49-34(16-10-11-23-47-38(54)22-19-28-17-20-31(53)21-18-28)41(58)50-36(26-39(55)56)43(60)52(4)37(40(46)57)24-29-12-6-5-7-13-29/h5-9,12-15,17-22,27,34-37,48,53H,10-11,16,23-26H2,1-4H3,(H2,46,57)(H,47,54)(H,49,59)(H,50,58)(H,51,61)(H,55,56)/t34-,35-,36-,37-/m0/s1
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n/an/a 4.20n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125I]BH-CCK-8 in guinea pig pancreas.


J Med Chem 35: 2007-14 (1992)


Article DOI: 10.1021/jm00089a010
BindingDB Entry DOI: 10.7270/Q21J9BDC
More data for this
Ligand-Target Pair