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56 similar compounds to monomer 50002501

Compile data set for download or QSAR
Wt: 853.9
BDBM81870
Wt: 1278.4
BDBM50016426
Wt: 1113.2
BDBM50016423
Wt: 975.0
BDBM50004478
Wt: 838.9
BDBM50002482
Wt: 824.9
BDBM50002483
Wt: 853.9
BDBM50002485
Wt: 855.9
BDBM50002499
Wt: 862.9
BDBM50002511
Wt: 944.0
BDBM50002514
Wt: 872.4
BDBM50002519
Wt: 823.9
BDBM50002479
Wt: 883.9
BDBM50002480
Wt: 839.9
BDBM50002521
Wt: 839.9
BDBM50002487
Displayed 1 to 15 (of 56 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 30 hits for monomerid = 81870,50016426,50016423,50004478,50002482,50002483,50002485,50002499,50002511,50002514,50002519,50002479,50002480,50002521,50002487   
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
Cholecystokinin receptor


(Mus musculus-MOUSE)
BDBM50016426
PNG
(3-{2-[2-(6-Amino-2-{2-[2-(2-tert-butoxycarbonylami...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCC)NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)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/C60H83N11O18S/c1-6-8-20-41(65-55(80)45(30-36-24-26-38(27-25-36)89-90(85,86)87)68-58(83)48(33-50(74)75)71-59(84)88-60(3,4)5)52(77)64-43(23-15-16-28-61)54(79)69-46(31-37-34-63-40-22-14-13-19-39(37)40)56(81)66-42(21-9-7-2)53(78)70-47(32-49(72)73)57(82)67-44(51(62)76)29-35-17-11-10-12-18-35/h10-14,17-19,22,24-27,34,41-48,63H,6-9,15-16,20-21,23,28-33,61H2,1-5H3,(H2,62,76)(H,64,77)(H,65,80)(H,66,81)(H,67,82)(H,68,83)(H,69,79)(H,70,78)(H,71,84)(H,72,73)(H,74,75)(H,85,86,87)/t41-,42-,43+,44-,45-,46-,47-,48-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Binding affinity measured by inhibiting [3H]Boc[Nle28,31]CCK27-33 specific binding to Cholecystokinin receptor in mouse brain membranes at a KD conce...


J Med Chem 30: 962-8 (1987)


Article DOI: 10.1021/jm00389a002
BindingDB Entry DOI: 10.7270/Q21J98R1
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50016426
PNG
(3-{2-[2-(6-Amino-2-{2-[2-(2-tert-butoxycarbonylami...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCC)NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)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/C60H83N11O18S/c1-6-8-20-41(65-55(80)45(30-36-24-26-38(27-25-36)89-90(85,86)87)68-58(83)48(33-50(74)75)71-59(84)88-60(3,4)5)52(77)64-43(23-15-16-28-61)54(79)69-46(31-37-34-63-40-22-14-13-19-39(37)40)56(81)66-42(21-9-7-2)53(78)70-47(32-49(72)73)57(82)67-44(51(62)76)29-35-17-11-10-12-18-35/h10-14,17-19,22,24-27,34,41-48,63H,6-9,15-16,20-21,23,28-33,61H2,1-5H3,(H2,62,76)(H,64,77)(H,65,80)(H,66,81)(H,67,82)(H,68,83)(H,69,79)(H,70,78)(H,71,84)(H,72,73)(H,74,75)(H,85,86,87)/t41-,42-,43+,44-,45-,46-,47-,48-/m0/s1
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340n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for binding affinity measured by inhibiting [3H]Boc[Nle28,31]CCK27-33 specific binding to Cholecystokinin receptor in rat pancreas membrane...


J Med Chem 30: 962-8 (1987)


Article DOI: 10.1021/jm00389a002
BindingDB Entry DOI: 10.7270/Q21J98R1
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 receptor


(Mus musculus-MOUSE)
BDBM50016423
PNG
(3-{2-[2-{[9-tert-Butoxycarbonylamino-3-butyl-2,5,8...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCCNC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc2ccc(OS(O)(=O)=O)cc2)C(=O)N[C@@H](CCCC)C(=O)N1)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C51H72N10O16S/c1-6-8-15-34-44(66)55-36(46(68)60-39(25-30-28-54-33-17-11-10-14-32(30)33)48(70)57-35(16-9-7-2)45(67)58-37(43(52)65)27-42(63)64)18-12-13-23-53-41(62)26-40(61-50(72)76-51(3,4)5)49(71)59-38(47(69)56-34)24-29-19-21-31(22-20-29)77-78(73,74)75/h10-11,14,17,19-22,28,34-40,54H,6-9,12-13,15-16,18,23-27H2,1-5H3,(H2,52,65)(H,53,62)(H,55,66)(H,56,69)(H,57,70)(H,58,67)(H,59,71)(H,60,68)(H,61,72)(H,63,64)(H,73,74,75)/t34-,35-,36+,37-,38+,39-,40-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity measured by inhibiting [3H]Boc[Nle28,31]CCK27-33 specific binding to Cholecystokinin receptor in mouse brain membranes at a KD conce...


J Med Chem 30: 962-8 (1987)


Article DOI: 10.1021/jm00389a002
BindingDB Entry DOI: 10.7270/Q21J98R1
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50016423
PNG
(3-{2-[2-{[9-tert-Butoxycarbonylamino-3-butyl-2,5,8...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCCNC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc2ccc(OS(O)(=O)=O)cc2)C(=O)N[C@@H](CCCC)C(=O)N1)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C51H72N10O16S/c1-6-8-15-34-44(66)55-36(46(68)60-39(25-30-28-54-33-17-11-10-14-32(30)33)48(70)57-35(16-9-7-2)45(67)58-37(43(52)65)27-42(63)64)18-12-13-23-53-41(62)26-40(61-50(72)76-51(3,4)5)49(71)59-38(47(69)56-34)24-29-19-21-31(22-20-29)77-78(73,74)75/h10-11,14,17,19-22,28,34-40,54H,6-9,12-13,15-16,18,23-27H2,1-5H3,(H2,52,65)(H,53,62)(H,55,66)(H,56,69)(H,57,70)(H,58,67)(H,59,71)(H,60,68)(H,61,72)(H,63,64)(H,73,74,75)/t34-,35-,36+,37-,38+,39-,40-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for binding affinity measured by inhibiting [3H]Boc[Nle28,31]CCK27-33 specific binding to Cholecystokinin receptor in rat pancreas membrane...


J Med Chem 30: 962-8 (1987)


Article DOI: 10.1021/jm00389a002
BindingDB Entry DOI: 10.7270/Q21J98R1
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50002521
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=C/c1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C44H53N7O10/c1-44(2,3)61-43(60)51-35(24-29-26-47-32-14-8-7-13-31(29)32)41(58)48-33(15-9-10-22-46-37(53)21-18-27-16-19-30(52)20-17-27)40(57)50-36(25-38(54)55)42(59)49-34(39(45)56)23-28-11-5-4-6-12-28/h4-8,11-14,16-21,26,33-36,47,52H,9-10,15,22-25H2,1-3H3,(H2,45,56)(H,46,53)(H,48,58)(H,49,59)(H,50,57)(H,51,60)(H,54,55)/t33-,34?,35?,36?/m0/s1
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n/an/a 16n/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)
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 A receptor


(Cavia porcellus)
BDBM50002483
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=Cc1cccnc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C43H52N8O9/c1-43(2,3)60-42(59)51-34(23-29-26-47-31-16-8-7-15-30(29)31)40(57)48-32(17-9-10-21-46-36(52)19-18-28-14-11-20-45-25-28)39(56)50-35(24-37(53)54)41(58)49-33(38(44)55)22-27-12-5-4-6-13-27/h4-8,11-16,18-20,25-26,32-35,47H,9-10,17,21-24H2,1-3H3,(H2,44,55)(H,46,52)(H,48,57)(H,49,58)(H,50,56)(H,51,59)(H,53,54)/t32-,33-,34-,35-/m0/s1
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n/an/a 21n/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)
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
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50002514
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)c1ccc2cc(OS(O)(=O)=O)ccc2c1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C46H53N7O13S/c1-46(2,3)65-45(61)53-37(24-31-26-49-34-14-8-7-13-33(31)34)43(59)50-35(42(58)52-38(25-39(54)55)44(60)51-36(40(47)56)21-27-11-5-4-6-12-27)15-9-10-20-48-41(57)30-17-16-29-23-32(66-67(62,63)64)19-18-28(29)22-30/h4-8,11-14,16-19,22-23,26,35-38,49H,9-10,15,20-21,24-25H2,1-3H3,(H2,47,56)(H,48,57)(H,50,59)(H,51,60)(H,52,58)(H,53,61)(H,54,55)(H,62,63,64)/t35-,36-,37-,38-/m0/s1
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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)
BDBM50002519
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(Cl)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C45H54ClN7O9/c1-45(2,3)62-44(61)52-35(25-30-27-49-33-15-9-8-14-32(30)33)42(59)50-34(16-10-11-23-48-38(54)22-19-28-17-20-31(46)21-18-28)41(58)51-36(26-39(55)56)43(60)53(4)37(40(47)57)24-29-12-6-5-7-13-29/h5-9,12-15,17-22,27,34-37,49H,10-11,16,23-26H2,1-4H3,(H2,47,57)(H,48,54)(H,50,59)(H,51,58)(H,52,61)(H,55,56)/t34-,35-,36-,37-/m0/s1
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n/an/a 15n/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)
BDBM50002480
PNG
(3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES COc1ccc(\C=C/C(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc1OC
Show InChI InChI=1S/C46H57N7O11/c1-46(2,3)64-45(61)53-35(25-30-27-49-32-16-10-9-15-31(30)32)43(59)50-33(17-11-12-22-48-39(54)21-19-29-18-20-37(62-4)38(24-29)63-5)42(58)52-36(26-40(55)56)44(60)51-34(41(47)57)23-28-13-7-6-8-14-28/h6-10,13-16,18-21,24,27,33-36,49H,11-12,17,22-23,25-26H2,1-5H3,(H2,47,57)(H,48,54)(H,50,59)(H,51,60)(H,52,58)(H,53,61)(H,55,56)/t33-,34?,35?,36?/m0/s1
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n/an/a 40n/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))
BDBM50002483
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=Cc1cccnc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C43H52N8O9/c1-43(2,3)60-42(59)51-34(23-29-26-47-31-16-8-7-15-30(29)31)40(57)48-32(17-9-10-21-46-36(52)19-18-28-14-11-20-45-25-28)39(56)50-35(24-37(53)54)41(58)49-33(38(44)55)22-27-12-5-4-6-13-27/h4-8,11-16,18-20,25-26,32-35,47H,9-10,17,21-24H2,1-3H3,(H2,44,55)(H,46,52)(H,48,57)(H,49,58)(H,50,56)(H,51,59)(H,53,54)/t32-,33-,34-,35-/m0/s1
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n/an/a 87n/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))
BDBM50002487
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=C/c1ccccc1O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C44H53N7O10/c1-44(2,3)61-43(60)51-34(24-29-26-47-31-17-9-8-16-30(29)31)41(58)48-32(18-11-12-22-46-37(53)21-20-28-15-7-10-19-36(28)52)40(57)50-35(25-38(54)55)42(59)49-33(39(45)56)23-27-13-5-4-6-14-27/h4-10,13-17,19-21,26,32-35,47,52H,11-12,18,22-25H2,1-3H3,(H2,45,56)(H,46,53)(H,48,58)(H,49,59)(H,50,57)(H,51,60)(H,54,55)/t32-,33?,34?,35?/m0/s1
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n/an/a 210n/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))
BDBM50002479
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=C/c1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C44H53N7O9/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/h4-11,14-19,21-22,27,33-36,47H,12-13,20,23-26H2,1-3H3,(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 1.80E+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))
BDBM50002519
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(Cl)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C45H54ClN7O9/c1-45(2,3)62-44(61)52-35(25-30-27-49-33-15-9-8-14-32(30)33)42(59)50-34(16-10-11-23-48-38(54)22-19-28-17-20-31(46)21-18-28)41(58)51-36(26-39(55)56)43(60)53(4)37(40(47)57)24-29-12-6-5-7-13-29/h5-9,12-15,17-22,27,34-37,49H,10-11,16,23-26H2,1-4H3,(H2,47,57)(H,48,54)(H,50,59)(H,51,58)(H,52,61)(H,55,56)/t34-,35-,36-,37-/m0/s1
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n/an/a 3.00E+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))
BDBM50002514
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)c1ccc2cc(OS(O)(=O)=O)ccc2c1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C46H53N7O13S/c1-46(2,3)65-45(61)53-37(24-31-26-49-34-14-8-7-13-33(31)34)43(59)50-35(42(58)52-38(25-39(54)55)44(60)51-36(40(47)56)21-27-11-5-4-6-12-27)15-9-10-20-48-41(57)30-17-16-29-23-32(66-67(62,63)64)19-18-28(29)22-30/h4-8,11-14,16-19,22-23,26,35-38,49H,9-10,15,20-21,24-25H2,1-3H3,(H2,47,56)(H,48,57)(H,50,59)(H,51,60)(H,52,58)(H,53,61)(H,54,55)(H,62,63,64)/t35-,36-,37-,38-/m0/s1
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n/an/a 300n/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))
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 receptor


(Homo sapiens (Human))
BDBM50002521
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=C/c1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C44H53N7O10/c1-44(2,3)61-43(60)51-35(24-29-26-47-32-14-8-7-13-31(29)32)41(58)48-33(15-9-10-22-46-37(53)21-18-27-16-19-30(52)20-17-27)40(57)50-36(25-38(54)55)42(59)49-34(39(45)56)23-28-11-5-4-6-12-28/h4-8,11-14,16-21,26,33-36,47,52H,9-10,15,22-25H2,1-3H3,(H2,45,56)(H,46,53)(H,48,58)(H,49,59)(H,50,57)(H,51,60)(H,54,55)/t33-,34?,35?,36?/m0/s1
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n/an/a 730n/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))
BDBM50002480
PNG
(3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES COc1ccc(\C=C/C(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc1OC
Show InChI InChI=1S/C46H57N7O11/c1-46(2,3)64-45(61)53-35(25-30-27-49-32-16-10-9-15-31(30)32)43(59)50-33(17-11-12-22-48-39(54)21-19-29-18-20-37(62-4)38(24-29)63-5)42(58)52-36(26-40(55)56)44(60)51-34(41(47)57)23-28-13-7-6-8-14-28/h6-10,13-16,18-21,24,27,33-36,49H,11-12,17,22-23,25-26H2,1-5H3,(H2,47,57)(H,48,54)(H,50,59)(H,51,60)(H,52,58)(H,53,61)(H,55,56)/t33-,34?,35?,36?/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
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)
BDBM50002479
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=C/c1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C44H53N7O9/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/h4-11,14-19,21-22,27,33-36,47H,12-13,20,23-26H2,1-3H3,(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 55n/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)
BDBM50002487
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=C/c1ccccc1O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C44H53N7O10/c1-44(2,3)61-43(60)51-34(24-29-26-47-31-17-9-8-16-30(29)31)41(58)48-32(18-11-12-22-46-37(53)21-20-28-15-7-10-19-36(28)52)40(57)50-35(25-38(54)55)42(59)49-33(39(45)56)23-27-13-5-4-6-14-27/h4-10,13-17,19-21,26,32-35,47,52H,11-12,18,22-25H2,1-3H3,(H2,45,56)(H,46,53)(H,48,58)(H,49,59)(H,50,57)(H,51,60)(H,54,55)/t32-,33?,34?,35?/m0/s1
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n/an/a 110n/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)
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 receptor


(Homo sapiens (Human))
BDBM50004478
PNG
(CCK7 analogue | CHEMBL98332)
Show SMILES CCCC[C@H](NC(=O)\C=C\c1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C47H58N8O13S/c1-3-5-15-35(51-40(56)23-20-29-18-21-32(22-19-29)68-69(65,66)67)44(61)50-28-41(57)52-38(25-31-27-49-34-17-11-10-14-33(31)34)46(63)53-36(16-6-4-2)45(62)55-39(26-42(58)59)47(64)54-37(43(48)60)24-30-12-8-7-9-13-30/h7-14,17-23,27,35-39,49H,3-6,15-16,24-26,28H2,1-2H3,(H2,48,60)(H,50,61)(H,51,56)(H,52,57)(H,53,63)(H,54,64)(H,55,62)(H,58,59)(H,65,66,67)/b23-20+/t35-,36-,37-,38-,39-/m0/s1
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n/an/a 7.70n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated in vitro for its binding affinity towards cholecystokinin type B receptor of guinea pig cortex


J Med Chem 35: 2919-28 (1992)


Article DOI: 10.1021/jm00094a001
BindingDB Entry DOI: 10.7270/Q2W66JRH
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50004478
PNG
(CCK7 analogue | CHEMBL98332)
Show SMILES CCCC[C@H](NC(=O)\C=C\c1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C47H58N8O13S/c1-3-5-15-35(51-40(56)23-20-29-18-21-32(22-19-29)68-69(65,66)67)44(61)50-28-41(57)52-38(25-31-27-49-34-17-11-10-14-33(31)34)46(63)53-36(16-6-4-2)45(62)55-39(26-42(58)59)47(64)54-37(43(48)60)24-30-12-8-7-9-13-30/h7-14,17-23,27,35-39,49H,3-6,15-16,24-26,28H2,1-2H3,(H2,48,60)(H,50,61)(H,51,56)(H,52,57)(H,53,63)(H,54,64)(H,55,62)(H,58,59)(H,65,66,67)/b23-20+/t35-,36-,37-,38-,39-/m0/s1
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n/an/a 23n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated in vitro for its binding affinity towards cholecystokinin type A receptor of guinea pig pancreas


J Med Chem 35: 2919-28 (1992)


Article DOI: 10.1021/jm00094a001
BindingDB Entry DOI: 10.7270/Q2W66JRH
More data for this
Ligand-Target Pair