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Compile Data Set for Download or QSAR

Found 42 hits of ec50 data for polymerid = 2126   
Target
(Institution)
LigandTarget
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))
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/an/an/a 0.0930n/an/an/an/a



Tom's of Maine

Curated by ChEMBL


Assay Description
Displacement of [125I]CCK-8 from CCK2 receptor in human FGS7 Jurkat cells


J Nat Prod 69: 432-5 (2006)

More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50154437
PNG
(CHEMBL414345 | Cholecystokinin-9)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CCCNC(N)=N)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/C55H74N14O17S3/c1-87-21-18-37(64-51(79)40(24-31-14-16-33(17-15-31)86-89(83,84)85)68-54(82)42(26-45(71)72)67-48(76)35(56)12-8-20-60-55(58)59)49(77)62-29-44(70)63-41(25-32-28-61-36-13-7-6-11-34(32)36)52(80)65-38(19-22-88-2)50(78)69-43(27-46(73)74)53(81)66-39(47(57)75)23-30-9-4-3-5-10-30/h3-7,9-11,13-17,28,35,37-43,61H,8,12,18-27,29,56H2,1-2H3,(H2,57,75)(H,62,77)(H,63,70)(H,64,79)(H,65,80)(H,66,81)(H,67,76)(H,68,82)(H,69,78)(H,71,72)(H,73,74)(H4,58,59,60)(H,83,84,85)/t35-,37-,38-,39-,40-,41-,42-,43-/m0/s1
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n/an/an/an/a 1.5n/an/an/an/a



Instituto de Qu£mica M£dica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of (Thr,Nle)-CCK-9 -induced inositol phosphate production in COS-7 cells expressing human CCK2 receptor


J Med Chem 47: 5318-29 (2004)

More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM21015
PNG
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO
Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1
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n/an/an/an/a 2.66n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Activity at CCK2R-MOPR (unknown origin) coexpressed in CHO cells cotransfected with delta6-Galphaqi4-myr assessed as intracellular calcium release by...


J Med Chem 52: 247-58 (2009)

More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM21140
PNG
((3S)-3-[(2S)-2-[(2R)-2-{2-[(2R)-2-[(2S)-2-amino-3-...)
Show SMILES CCCC[C@H](N(C)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C51H61N9O10/c1-3-4-19-43(50(69)59-41(28-45(63)64)49(68)57-39(46(53)65)25-31-13-7-5-8-14-31)60(2)51(70)42(27-34-29-54-38-18-12-11-17-36(34)38)56-44(62)30-55-48(67)40(26-32-15-9-6-10-16-32)58-47(66)37(52)24-33-20-22-35(61)23-21-33/h5-18,20-23,29,37,39-43,54,61H,3-4,19,24-28,30,52H2,1-2H3,(H2,53,65)(H,55,67)(H,56,62)(H,57,68)(H,58,66)(H,59,69)(H,63,64)/t37-,39-,40+,41-,42+,43-/m0/s1
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1.10 -52.0n/an/a 2.80n/an/a7.430



University of Arizona at Tucson



Assay Description
Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...


J Med Chem 49: 2868-75 (2006)

More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM21132
PNG
((3S)-3-[(2S)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-...)
Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C45H57N9O10/c1-4-5-15-37(44(63)53-35(23-39(57)58)43(62)52-34(40(47)59)21-27-11-7-6-8-12-27)54(3)45(64)36(22-29-24-48-33-14-10-9-13-31(29)33)51-38(56)25-49-41(60)26(2)50-42(61)32(46)20-28-16-18-30(55)19-17-28/h6-14,16-19,24,26,32,34-37,48,55H,4-5,15,20-23,25,46H2,1-3H3,(H2,47,59)(H,49,60)(H,50,61)(H,51,56)(H,52,62)(H,53,63)(H,57,58)/t26-,32+,34+,35+,36+,37+/m1/s1
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1.60 -51.0n/an/a 4.60n/an/a7.430



University of Arizona at Tucson



Assay Description
Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...


J Med Chem 49: 2868-75 (2006)

More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50004436
PNG
(3-Acetylamino-N-[1-[1-({[1-{1-[1-(1-carbamoyl-2-ph...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN(C)C(=O)[C@H](CCCC)NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C54H70N10O17S/c1-5-7-17-38(49(72)63-44(28-47(69)70)53(76)61-40(48(55)71)24-32-14-10-9-11-15-32)59-51(74)42(26-34-29-56-37-19-13-12-16-36(34)37)58-45(66)30-64(4)54(77)39(18-8-6-2)60-50(73)41(62-52(75)43(27-46(67)68)57-31(3)65)25-33-20-22-35(23-21-33)81-82(78,79)80/h9-16,19-23,29,38-44,56H,5-8,17-18,24-28,30H2,1-4H3,(H2,55,71)(H,57,65)(H,58,66)(H,59,74)(H,60,73)(H,61,76)(H,62,75)(H,63,72)(H,67,68)(H,69,70)(H,78,79,80)/t38-,39-,40-,41-,42-,43-,44-/m0/s1
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n/an/an/an/a 6n/an/an/an/a



Hadassah-University Hospital

Curated by ChEMBL


Assay Description
In vitro smooth muscle contraction activity in guinea pig stomach consisting of CCK/gastrin receptor subtype


J Med Chem 35: 2806-11 (1992)

More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM21141
PNG
((3S)-3-[(2S)-2-[(2R)-2-{2-[(2R)-2-[(2S)-2-amino-3-...)
Show SMILES CCCC[C@H](N(C)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C45H57N9O10/c1-4-5-15-37(44(63)53-35(23-39(57)58)43(62)52-34(40(47)59)21-27-11-7-6-8-12-27)54(3)45(64)36(22-29-24-48-33-14-10-9-13-31(29)33)51-38(56)25-49-41(60)26(2)50-42(61)32(46)20-28-16-18-30(55)19-17-28/h6-14,16-19,24,26,32,34-37,48,55H,4-5,15,20-23,25,46H2,1-3H3,(H2,47,59)(H,49,60)(H,50,61)(H,51,56)(H,52,62)(H,53,63)(H,57,58)/t26-,32+,34+,35+,36-,37+/m1/s1
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1.5 -51.2n/an/a 6.60n/an/a7.430



University of Arizona at Tucson



Assay Description
Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...


J Med Chem 49: 2868-75 (2006)

More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM21138
PNG
((3S)-3-[(2S)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C44H55N9O10/c1-3-4-13-33(42(61)53-36(22-38(56)57)44(63)52-34(39(46)58)20-26-10-6-5-7-11-26)51-43(62)35(21-28-23-47-32-14-9-8-12-30(28)32)50-37(55)24-48-40(59)25(2)49-41(60)31(45)19-27-15-17-29(54)18-16-27/h5-12,14-18,23,25,31,33-36,47,54H,3-4,13,19-22,24,45H2,1-2H3,(H2,46,58)(H,48,59)(H,49,60)(H,50,55)(H,51,62)(H,52,63)(H,53,61)(H,56,57)/t25-,31+,33+,34+,35+,36+/m1/s1
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150 -39.6n/an/a 8n/an/a7.430



University of Arizona at Tucson



Assay Description
Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...


J Med Chem 49: 2868-75 (2006)

More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50004437
PNG
(3-Acetylamino-N-[1-[1-({[1-(1-{[1-(1-carbamoyl-2-p...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N(C)[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C54H70N10O17S/c1-5-7-17-38(60-50(73)41(63-52(75)43(27-46(67)68)58-31(3)65)25-33-20-22-35(23-21-33)81-82(78,79)80)49(72)57-30-45(66)59-42(26-34-29-56-37-19-13-12-16-36(34)37)51(74)61-39(18-8-6-2)54(77)64(4)44(28-47(69)70)53(76)62-40(48(55)71)24-32-14-10-9-11-15-32/h9-16,19-23,29,38-44,56H,5-8,17-18,24-28,30H2,1-4H3,(H2,55,71)(H,57,72)(H,58,65)(H,59,66)(H,60,73)(H,61,74)(H,62,76)(H,63,75)(H,67,68)(H,69,70)(H,78,79,80)/t38-,39-,40-,41-,42-,43-,44-/m0/s1
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n/an/an/an/a 9n/an/an/an/a



Hadassah-University Hospital

Curated by ChEMBL


Assay Description
In vitro smooth muscle contraction activity in guinea pig stomach consisting of CCK/gastrin receptor subtype


J Med Chem 35: 2806-11 (1992)

More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50004439
PNG
(3-Acetylamino-N-[1-[1-({[1-{1-[1-(1-carbamoyl-2-ph...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)N(C)C(=O)[C@H](CC(O)=O)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/C54H70N10O17S/c1-5-7-17-38(61-53(76)44(25-33-20-22-35(23-21-33)81-82(78,79)80)64(4)54(77)43(28-47(69)70)58-31(3)65)49(72)57-30-45(66)59-41(26-34-29-56-37-19-13-12-16-36(34)37)51(74)60-39(18-8-6-2)50(73)63-42(27-46(67)68)52(75)62-40(48(55)71)24-32-14-10-9-11-15-32/h9-16,19-23,29,38-44,56H,5-8,17-18,24-28,30H2,1-4H3,(H2,55,71)(H,57,72)(H,58,65)(H,59,66)(H,60,74)(H,61,76)(H,62,75)(H,63,73)(H,67,68)(H,69,70)(H,78,79,80)/t38-,39-,40-,41-,42-,43-,44-/m0/s1
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n/an/an/an/a 12n/an/an/an/a



Hadassah-University Hospital

Curated by ChEMBL


Assay Description
In vitro smooth muscle contraction activity in guinea pig stomach consisting of CCK/gastrin receptor subtype


J Med Chem 35: 2806-11 (1992)

More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50004440
PNG
(3-Acetylamino-N-[1-[1-({[1-{1-[1-(1-carbamoyl-2-ph...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)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/C53H68N10O17S/c1-4-6-16-37(59-50(73)40(62-52(75)42(26-45(66)67)57-30(3)64)24-32-19-21-34(22-20-32)80-81(77,78)79)48(71)56-29-44(65)58-41(25-33-28-55-36-18-12-11-15-35(33)36)51(74)60-38(17-7-5-2)49(72)63-43(27-46(68)69)53(76)61-39(47(54)70)23-31-13-9-8-10-14-31/h8-15,18-22,28,37-43,55H,4-7,16-17,23-27,29H2,1-3H3,(H2,54,70)(H,56,71)(H,57,64)(H,58,65)(H,59,73)(H,60,74)(H,61,76)(H,62,75)(H,63,72)(H,66,67)(H,68,69)(H,77,78,79)/t37-,38-,39-,40-,41-,42-,43-/m0/s1
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n/an/an/an/a 13.5n/an/an/an/a



Hadassah-University Hospital

Curated by ChEMBL


Assay Description
In vitro smooth muscle contraction activity in guinea pig stomach consisting of CCK/gastrin receptor subtype


J Med Chem 35: 2806-11 (1992)

More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM21131
PNG
((3S)-3-[(2S)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-...)
Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C51H61N9O10/c1-3-4-19-43(50(69)59-41(28-45(63)64)49(68)57-39(46(53)65)25-31-13-7-5-8-14-31)60(2)51(70)42(27-34-29-54-38-18-12-11-17-36(34)38)56-44(62)30-55-48(67)40(26-32-15-9-6-10-16-32)58-47(66)37(52)24-33-20-22-35(61)23-21-33/h5-18,20-23,29,37,39-43,54,61H,3-4,19,24-28,30,52H2,1-2H3,(H2,53,65)(H,55,67)(H,56,62)(H,57,68)(H,58,66)(H,59,69)(H,63,64)/t37-,39-,40+,41-,42-,43-/m0/s1
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PubMed
15 -45.4n/an/a 16n/an/a7.430



University of Arizona at Tucson



Assay Description
Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...


J Med Chem 49: 2868-75 (2006)

More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50202108
PNG
((3S)-3-{[(2S)-1-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](Cc1cc2ccccc2[nH]1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C58H73N11O13/c1-6-7-21-43(64-53(77)46(67-57(81)82-58(3,4)5)31-39-30-38-20-14-15-22-42(38)62-39)52(76)66-47(32-49(72)73)54(78)65-45(29-36-18-12-9-13-19-36)56(80)69-68-55(79)44(28-35-16-10-8-11-17-35)63-48(71)33-60-50(74)34(2)61-51(75)41(59)27-37-23-25-40(70)26-24-37/h8-20,22-26,30,34,41,43-47,62,70H,6-7,21,27-29,31-33,59H2,1-5H3,(H,60,74)(H,61,75)(H,63,71)(H,64,77)(H,65,78)(H,66,76)(H,67,81)(H,68,79)(H,69,80)(H,72,73)/t34-,41+,43+,44+,45+,46-,47+/m1/s1
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n/an/an/an/a 16n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I]CCK8-SO3 from human CCK2 receptor expressed in HEK293 cells


J Med Chem 50: 165-8 (2007)

More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM21133
PNG
((3S)-3-[(2S)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-...)
Show SMILES CCCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C48H63N9O10/c1-4-6-16-36(54-44(63)34(49)23-30-19-21-32(58)22-20-30)45(64)52-28-41(59)53-39(25-31-27-51-35-17-12-11-15-33(31)35)48(67)57(3)40(18-7-5-2)47(66)56-38(26-42(60)61)46(65)55-37(43(50)62)24-29-13-9-8-10-14-29/h8-15,17,19-22,27,34,36-40,51,58H,4-7,16,18,23-26,28,49H2,1-3H3,(H2,50,62)(H,52,64)(H,53,59)(H,54,63)(H,55,65)(H,56,66)(H,60,61)/t34-,36+,37-,38-,39-,40-/m0/s1
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3.80 -48.9n/an/a 19n/an/a7.430



University of Arizona at Tucson



Assay Description
Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...


J Med Chem 49: 2868-75 (2006)

More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50004438
PNG
(3-Acetylamino-N-[1-[1-({[1-(1-{1-[(1-carbamoyl-2-p...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)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)[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C54H70N10O17S/c1-5-7-17-38(60-51(74)40(62-53(76)42(27-46(67)68)58-31(3)65)24-33-20-22-35(23-21-33)81-82(78,79)80)49(72)57-30-45(66)59-41(26-34-29-56-37-19-13-12-16-36(34)37)52(75)61-39(18-8-6-2)50(73)63-43(28-47(69)70)54(77)64(4)44(48(55)71)25-32-14-10-9-11-15-32/h9-16,19-23,29,38-44,56H,5-8,17-18,24-28,30H2,1-4H3,(H2,55,71)(H,57,72)(H,58,65)(H,59,66)(H,60,74)(H,61,75)(H,62,76)(H,63,73)(H,67,68)(H,69,70)(H,78,79,80)/t38-,39-,40-,41-,42-,43-,44-/m0/s1
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n/an/an/an/a 19n/an/an/an/a



Hadassah-University Hospital

Curated by ChEMBL


Assay Description
In vitro smooth muscle contraction activity in guinea pig stomach consisting of CCK/gastrin receptor subtype


J Med Chem 35: 2806-11 (1992)

More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
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/an/a 1.30 27n/an/a7.430



University of Arizona at Tucson



Assay Description
Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...


J Med Chem 49: 2868-75 (2006)

More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50202113
PNG
((3S)-3-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-...)
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(O)=O
Show InChI InChI=1S/C49H61N9O17S3/c1-76-18-16-34(54-46(67)36(56-43(64)32(50)23-41(60)61)20-28-12-14-30(15-13-28)75-78(72,73)74)44(65)52-26-40(59)53-37(22-29-25-51-33-11-7-6-10-31(29)33)47(68)55-35(17-19-77-2)45(66)57-38(24-42(62)63)48(69)58-39(49(70)71)21-27-8-4-3-5-9-27/h3-15,25,32,34-39,51H,16-24,26,50H2,1-2H3,(H,52,65)(H,53,59)(H,54,67)(H,55,68)(H,56,64)(H,57,66)(H,58,69)(H,60,61)(H,62,63)(H,70,71)(H,72,73,74)/t32-,34-,35-,36-,37-,38-,39-/m0/s1
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n/an/an/an/a 27n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Activity at human CCK2 receptor expressed in HEK293 cells assessed as level of [3H]inositol produced relative to control


J Med Chem 50: 165-8 (2007)

More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50202113
PNG
((3S)-3-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-...)
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(O)=O
Show InChI InChI=1S/C49H61N9O17S3/c1-76-18-16-34(54-46(67)36(56-43(64)32(50)23-41(60)61)20-28-12-14-30(15-13-28)75-78(72,73)74)44(65)52-26-40(59)53-37(22-29-25-51-33-11-7-6-10-31(29)33)47(68)55-35(17-19-77-2)45(66)57-38(24-42(62)63)48(69)58-39(49(70)71)21-27-8-4-3-5-9-27/h3-15,25,32,34-39,51H,16-24,26,50H2,1-2H3,(H,52,65)(H,53,59)(H,54,67)(H,55,68)(H,56,64)(H,57,66)(H,58,69)(H,60,61)(H,62,63)(H,70,71)(H,72,73,74)/t32-,34-,35-,36-,37-,38-,39-/m0/s1
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n/an/an/an/a 27n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I]CCK8-SO3 from human CCK2 receptor expressed in HEK293 cells


J Med Chem 50: 165-8 (2007)

More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM21136
PNG
((3S)-3-[(2S)-2-[(2S)-2-(2-{2-[(2S)-2-amino-3-(4-hy...)
Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C44H55N9O10/c1-3-4-14-36(43(62)52-34(22-39(57)58)42(61)51-33(40(46)59)20-26-10-6-5-7-11-26)53(2)44(63)35(21-28-23-47-32-13-9-8-12-30(28)32)50-38(56)25-48-37(55)24-49-41(60)31(45)19-27-15-17-29(54)18-16-27/h5-13,15-18,23,31,33-36,47,54H,3-4,14,19-22,24-25,45H2,1-2H3,(H2,46,59)(H,48,55)(H,49,60)(H,50,56)(H,51,61)(H,52,62)(H,57,58)/t31-,33-,34-,35-,36-/m0/s1
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4.80 -48.3n/an/a 32n/an/a7.430



University of Arizona at Tucson



Assay Description
Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...


J Med Chem 49: 2868-75 (2006)

More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM21134
PNG
((3S)-3-[(2S)-2-[(2S)-2-(2-{[(2R)-1-[(2S)-2-amino-3...)
Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C47H59N9O10/c1-3-4-15-38(45(64)54-36(25-41(59)60)43(62)53-35(42(49)61)23-28-11-6-5-7-12-28)55(2)47(66)37(24-30-26-50-34-14-9-8-13-32(30)34)52-40(58)27-51-44(63)39-16-10-21-56(39)46(65)33(48)22-29-17-19-31(57)20-18-29/h5-9,11-14,17-20,26,33,35-39,50,57H,3-4,10,15-16,21-25,27,48H2,1-2H3,(H2,49,61)(H,51,63)(H,52,58)(H,53,62)(H,54,64)(H,59,60)/t33-,35-,36-,37-,38-,39+/m0/s1
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2.70 -49.7n/an/a 36n/an/a7.430



University of Arizona at Tucson



Assay Description
Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...


J Med Chem 49: 2868-75 (2006)

More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50004434
PNG
(3-Acetylamino-N-[1-(1-{2-[1-{1-[1-(1-carbamoyl-2-p...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC)NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C56H72N10O17S/c1-4-6-17-39(50(73)64-45(30-48(70)71)54(77)62-41(49(57)72)26-33-14-9-8-10-15-33)60-52(75)43(28-35-31-58-38-19-12-11-16-37(35)38)65-55(78)46-20-13-25-66(46)56(79)40(18-7-5-2)61-51(74)42(63-53(76)44(29-47(68)69)59-32(3)67)27-34-21-23-36(24-22-34)83-84(80,81)82/h8-12,14-16,19,21-24,31,39-46,58H,4-7,13,17-18,20,25-30H2,1-3H3,(H2,57,72)(H,59,67)(H,60,75)(H,61,74)(H,62,77)(H,63,76)(H,64,73)(H,65,78)(H,68,69)(H,70,71)(H,80,81,82)/t39-,40-,41-,42-,43-,44-,45-,46-/m0/s1
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n/an/an/an/a 54n/an/an/an/a



Hadassah-University Hospital

Curated by ChEMBL


Assay Description
In vitro smooth muscle contraction activity in guinea pig stomach consisting of CCK/gastrin receptor subtype


J Med Chem 35: 2806-11 (1992)

More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50329179
PNG
(2-((4S)-4-((1H-indol-3-yl)methyl)-5-oxo-1-phenyl-4...)
Show SMILES CC(C)N(Cc1ccccc1)C(=O)CN1c2ccccc2-n2c(nnc2-c2ccccc2)[C@H](Cc2c[nH]c3ccccc23)C1=O
Show InChI InChI=1S/C37H34N6O2/c1-25(2)41(23-26-13-5-3-6-14-26)34(44)24-42-32-19-11-12-20-33(32)43-35(27-15-7-4-8-16-27)39-40-36(43)30(37(42)45)21-28-22-38-31-18-10-9-17-29(28)31/h3-20,22,25,30,38H,21,23-24H2,1-2H3/t30-/m0/s1
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n/an/an/an/a 59n/an/an/an/a



Mayo Clinic

Curated by ChEMBL


Assay Description
Agonist activity at human CCK2R H7.39L mutant expressed in CHO cells assessed as intracellular calcium response by fluorescence analysis


J Med Chem 58: 9562-77 (2015)

More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50037874
PNG
(CBS-5 | CHEMBL124944)
Show SMILES CSCCC(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(C)NC(=O)CCC(=O)N(Cc1ccccc1)N=NCCCl)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C45H55ClN10O9S/c1-28(50-38(57)17-18-39(58)56(55-49-21-20-46)27-30-13-7-4-8-14-30)42(62)53-36(24-31-26-48-33-16-10-9-15-32(31)33)44(64)51-34(19-22-66-2)43(63)54-37(25-40(59)60)45(65)52-35(41(47)61)23-29-11-5-3-6-12-29/h3-16,26,28,34-37,48H,17-25,27H2,1-2H3,(H2,47,61)(H,50,57)(H,51,64)(H,52,65)(H,53,62)(H,54,63)(H,59,60)
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n/an/an/an/a 80n/an/an/an/a



NCI-Frederick Cancer Research and Development Center

Curated by ChEMBL


Assay Description
Tested for the 50% inhibition level against [125I]- gastrin binding to guinea pig gastric glands


J Med Chem 37: 3812-8 (1994)

More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50154426
PNG
((S)-2-((4R,5R)-2-Benzyl-4-methyl-1,3-dioxo-octahyd...)
Show SMILES C[C@@H]1C2[C@@H](CCCN2C(=O)N(Cc2ccccc2)C1=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC1C2CC3CC(C2)CC1C3
Show InChI InChI=1S/C37H44N4O4/c1-22-33-31(12-7-13-40(33)37(44)41(35(22)42)21-23-8-3-2-4-9-23)39-32(19-28-20-38-30-11-6-5-10-29(28)30)36(43)45-34-26-15-24-14-25(17-26)18-27(34)16-24/h2-6,8-11,20,22,24-27,31-34,38-39H,7,12-19,21H2,1H3/t22-,24?,25?,26?,27?,31-,32+,33?,34?/m1/s1
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n/an/an/an/a 98n/an/an/an/a



Instituto de Qu£mica M£dica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of (Thr,Nle)-CCK-9 -induced inositol phosphate production in COS-7 cells expressing human CCK2 receptor


J Med Chem 47: 5318-29 (2004)

More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM21137
PNG
((3S)-3-[(2S)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C50H59N9O10/c1-2-3-17-38(48(67)59-42(27-44(62)63)50(69)57-39(45(52)64)24-30-12-6-4-7-13-30)56-49(68)41(26-33-28-53-37-18-11-10-16-35(33)37)55-43(61)29-54-47(66)40(25-31-14-8-5-9-15-31)58-46(65)36(51)23-32-19-21-34(60)22-20-32/h4-16,18-22,28,36,38-42,53,60H,2-3,17,23-27,29,51H2,1H3,(H2,52,64)(H,54,66)(H,55,61)(H,56,68)(H,57,69)(H,58,65)(H,59,67)(H,62,63)/t36-,38-,39-,40+,41-,42-/m0/s1
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26 -44.0n/an/a 110n/an/a7.430



University of Arizona at Tucson



Assay Description
Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...


J Med Chem 49: 2868-75 (2006)

More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50265491
PNG
(1-{1-Diglycoldiamide-2-[m-(R(+)-1)ureaphenoxy]etha...)
Show SMILES CN1CC[C@]23[C@H]4Oc5cc(O)cc(C[C@@H]1[C@]2(O)CC[C@@H]4NC(=O)COCC(=O)NCCNC(=O)COCC(=O)NCCOc1cccc(NC(=O)N[C@@H]2N=C(c4ccccc4)c4ccccc4N(C)C2=O)c1)c35
Show InChI InChI=1S/C52H59N9O12/c1-60-21-17-51-45-32-23-34(62)26-39(45)73-47(51)37(15-16-52(51,69)40(60)24-32)57-44(66)30-71-28-42(64)54-19-18-53-41(63)27-70-29-43(65)55-20-22-72-35-12-8-11-33(25-35)56-50(68)59-48-49(67)61(2)38-14-7-6-13-36(38)46(58-48)31-9-4-3-5-10-31/h3-14,23,25-26,37,40,47-48,62,69H,15-22,24,27-30H2,1-2H3,(H,53,63)(H,54,64)(H,55,65)(H,57,66)(H2,56,59,68)/t37-,40+,47-,48-,51-,52+/m0/s1
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n/an/an/an/a 119n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Activity at CCK2R-MOPR (unknown origin) coexpressed in CHO cells cotransfected with delta6-Galphaqi4-myr assessed as intracellular calcium release by...


J Med Chem 52: 247-58 (2009)

More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50037875
PNG
(CBS-4 | CHEMBL341330)
Show SMILES CSCCC(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CCC(=O)N(Cc1ccccc1)N=NCCCl)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C42H50ClN9O8S/c1-61-21-18-32(40(58)50-35(24-38(55)56)42(60)49-33(39(44)57)22-27-10-4-2-5-11-27)48-41(59)34(23-29-25-45-31-15-9-8-14-30(29)31)47-36(53)16-17-37(54)52(51-46-20-19-43)26-28-12-6-3-7-13-28/h2-15,25,32-35,45H,16-24,26H2,1H3,(H2,44,57)(H,47,53)(H,48,59)(H,49,60)(H,50,58)(H,55,56)
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n/an/an/an/a 130n/an/an/an/a



NCI-Frederick Cancer Research and Development Center

Curated by ChEMBL


Assay Description
Tested for the 50% inhibition level against [125I]- gastrin binding to guinea pig gastric glands


J Med Chem 37: 3812-8 (1994)

More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50004433
PNG
(3-Acetylamino-N-[1-[1-({[1-({1-[1-(1-carbamoyl-2-p...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C54H70N10O17S/c1-5-7-17-38(60-50(73)40(62-51(74)41(27-46(67)68)58-31(3)65)25-33-20-22-35(23-21-33)81-82(78,79)80)49(72)57-30-45(66)59-43(26-34-29-56-37-18-13-12-16-36(34)37)54(77)64(4)44(19-8-6-2)53(76)63-42(28-47(69)70)52(75)61-39(48(55)71)24-32-14-10-9-11-15-32/h9-16,18,20-23,29,38-44,56H,5-8,17,19,24-28,30H2,1-4H3,(H2,55,71)(H,57,72)(H,58,65)(H,59,66)(H,60,73)(H,61,75)(H,62,74)(H,63,76)(H,67,68)(H,69,70)(H,78,79,80)/t38-,39-,40-,41-,42-,43-,44-/m0/s1
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n/an/an/an/a 140n/an/an/an/a



Hadassah-University Hospital

Curated by ChEMBL


Assay Description
In vitro smooth muscle contraction activity in guinea pig stomach consisting of CCK/gastrin receptor subtype


J Med Chem 35: 2806-11 (1992)

More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50004435
PNG
(3-Acetylamino-N-[1-{1-[({[1-{1-[1-(1-carbamoyl-2-p...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)NCC(=O)N(C)[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/C54H70N10O17S/c1-5-7-17-38(59-51(74)41(62-52(75)42(27-46(67)68)58-31(3)65)25-33-20-22-35(23-21-33)81-82(78,79)80)49(72)57-30-45(66)64(4)44(26-34-29-56-37-19-13-12-16-36(34)37)54(77)60-39(18-8-6-2)50(73)63-43(28-47(69)70)53(76)61-40(48(55)71)24-32-14-10-9-11-15-32/h9-16,19-23,29,38-44,56H,5-8,17-18,24-28,30H2,1-4H3,(H2,55,71)(H,57,72)(H,58,65)(H,59,74)(H,60,77)(H,61,76)(H,62,75)(H,63,73)(H,67,68)(H,69,70)(H,78,79,80)/t38-,39-,40-,41-,42-,43-,44-/m0/s1
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n/an/an/an/a 265n/an/an/an/a



Hadassah-University Hospital

Curated by ChEMBL


Assay Description
In vitro smooth muscle contraction activity in guinea pig stomach consisting of CCK/gastrin receptor subtype


J Med Chem 35: 2806-11 (1992)

More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50329179
PNG
(2-((4S)-4-((1H-indol-3-yl)methyl)-5-oxo-1-phenyl-4...)
Show SMILES CC(C)N(Cc1ccccc1)C(=O)CN1c2ccccc2-n2c(nnc2-c2ccccc2)[C@H](Cc2c[nH]c3ccccc23)C1=O
Show InChI InChI=1S/C37H34N6O2/c1-25(2)41(23-26-13-5-3-6-14-26)34(44)24-42-32-19-11-12-20-33(32)43-35(27-15-7-4-8-16-27)39-40-36(43)30(37(42)45)21-28-22-38-31-18-10-9-17-29(28)31/h3-20,22,25,30,38H,21,23-24H2,1-2H3/t30-/m0/s1
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n/an/an/an/a 282n/an/an/an/a



Mayo Clinic

Curated by ChEMBL


Assay Description
Agonist activity at human CCK2R V6.51I, Y6.52F mutant expressed in CHO cells assessed as intracellular calcium response by fluorescence analysis


J Med Chem 58: 9562-77 (2015)

More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM21144
PNG
((3S)-3-[(2S)-2-[(2R)-2-{2-[(2R)-2-[(2S)-2-amino-3-...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C44H55N9O10/c1-3-4-13-33(42(61)53-36(22-38(56)57)44(63)52-34(39(46)58)20-26-10-6-5-7-11-26)51-43(62)35(21-28-23-47-32-14-9-8-12-30(28)32)50-37(55)24-48-40(59)25(2)49-41(60)31(45)19-27-15-17-29(54)18-16-27/h5-12,14-18,23,25,31,33-36,47,54H,3-4,13,19-22,24,45H2,1-2H3,(H2,46,58)(H,48,59)(H,49,60)(H,50,55)(H,51,62)(H,52,63)(H,53,61)(H,56,57)/t25-,31+,33+,34+,35-,36+/m1/s1
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2.70E+3 -32.3n/an/a 330n/an/a7.430



University of Arizona at Tucson



Assay Description
Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...


J Med Chem 49: 2868-75 (2006)

More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50154422
PNG
((S)-2-[(R)-2-(4-Dimethylamino-phenyl)-1,3-dioxo-oc...)
Show SMILES CN(C)c1ccc(cc1)N1C(=O)CC2[C@@H](CCCN2C1=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC1C2CC3CC(C2)CC1C3
Show InChI InChI=1S/C37H45N5O4/c1-40(2)27-9-11-28(12-10-27)42-34(43)20-33-31(8-5-13-41(33)37(42)45)39-32(19-26-21-38-30-7-4-3-6-29(26)30)36(44)46-35-24-15-22-14-23(17-24)18-25(35)16-22/h3-4,6-7,9-12,21-25,31-33,35,38-39H,5,8,13-20H2,1-2H3/t22?,23?,24?,25?,31-,32+,33?,35?/m1/s1
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n/an/an/an/a 517n/an/an/an/a



Instituto de Qu£mica M£dica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of (Thr,Nle)-CCK-9 -induced inositol phosphate production in COS-7 cells expressing human CCK2 receptor


J Med Chem 47: 5318-29 (2004)

More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50265533
PNG
(2-({[(1S,5R,13R,14S,17S)-9,17-dihydroxy-4-methyl-1...)
Show SMILES CNC(=O)COCC(=O)NCCCCNC(=O)COCC(=O)N[C@H]1CC[C@@]2(O)[C@H]3Cc4cc(O)cc5O[C@@H]1[C@]2(CCN3C)c45
Show InChI InChI=1S/C30H43N5O9/c1-31-23(37)14-42-15-24(38)32-8-3-4-9-33-25(39)16-43-17-26(40)34-20-5-6-30(41)22-12-18-11-19(36)13-21-27(18)29(30,28(20)44-21)7-10-35(22)2/h11,13,20,22,28,36,41H,3-10,12,14-17H2,1-2H3,(H,31,37)(H,32,38)(H,33,39)(H,34,40)/t20-,22+,28-,29-,30+/m0/s1
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n/an/an/an/a 572n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Activity at CCK2R-MOPR (unknown origin) coexpressed in CHO cells cotransfected with delta6-Galphaqi4-myr assessed as intracellular calcium release by...


J Med Chem 52: 247-58 (2009)

More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50329179
PNG
(2-((4S)-4-((1H-indol-3-yl)methyl)-5-oxo-1-phenyl-4...)
Show SMILES CC(C)N(Cc1ccccc1)C(=O)CN1c2ccccc2-n2c(nnc2-c2ccccc2)[C@H](Cc2c[nH]c3ccccc23)C1=O
Show InChI InChI=1S/C37H34N6O2/c1-25(2)41(23-26-13-5-3-6-14-26)34(44)24-42-32-19-11-12-20-33(32)43-35(27-15-7-4-8-16-27)39-40-36(43)30(37(42)45)21-28-22-38-31-18-10-9-17-29(28)31/h3-20,22,25,30,38H,21,23-24H2,1-2H3/t30-/m0/s1
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n/an/an/an/a 977n/an/an/an/a



Mayo Clinic

Curated by ChEMBL


Assay Description
Partial agonist activity at wild-type human CCK2R expressed in CHO cells assessed as intracellular calcium response by fluorescence analysis


J Med Chem 58: 9562-77 (2015)

More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50329179
PNG
(2-((4S)-4-((1H-indol-3-yl)methyl)-5-oxo-1-phenyl-4...)
Show SMILES CC(C)N(Cc1ccccc1)C(=O)CN1c2ccccc2-n2c(nnc2-c2ccccc2)[C@H](Cc2c[nH]c3ccccc23)C1=O
Show InChI InChI=1S/C37H34N6O2/c1-25(2)41(23-26-13-5-3-6-14-26)34(44)24-42-32-19-11-12-20-33(32)43-35(27-15-7-4-8-16-27)39-40-36(43)30(37(42)45)21-28-22-38-31-18-10-9-17-29(28)31/h3-20,22,25,30,38H,21,23-24H2,1-2H3/t30-/m0/s1
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n/an/an/an/a<1.00E+3n/an/an/an/a



Mayo Clinic

Curated by ChEMBL


Assay Description
Agonist activity at human CCK2R V3.28T, S3.29T mutant expressed in CHO cells assessed as intracellular calcium response by fluorescence analysis


J Med Chem 58: 9562-77 (2015)

More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50329179
PNG
(2-((4S)-4-((1H-indol-3-yl)methyl)-5-oxo-1-phenyl-4...)
Show SMILES CC(C)N(Cc1ccccc1)C(=O)CN1c2ccccc2-n2c(nnc2-c2ccccc2)[C@H](Cc2c[nH]c3ccccc23)C1=O
Show InChI InChI=1S/C37H34N6O2/c1-25(2)41(23-26-13-5-3-6-14-26)34(44)24-42-32-19-11-12-20-33(32)43-35(27-15-7-4-8-16-27)39-40-36(43)30(37(42)45)21-28-22-38-31-18-10-9-17-29(28)31/h3-20,22,25,30,38H,21,23-24H2,1-2H3/t30-/m0/s1
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Mayo Clinic

Curated by ChEMBL


Assay Description
Agonist activity at human CCK2R T2.61N mutant expressed in CHO cells assessed as intracellular calcium response by fluorescence analysis


J Med Chem 58: 9562-77 (2015)

More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50380728
PNG
(CHEMBL2017835)
Show SMILES Cc1cc(C)cc(C[C@H]2CCCCN2C(=O)CN2c3ccccc3-n3c(nnc3-c3ccccc3)[C@H](Cc3n[nH]c4ccccc34)C2=O)c1
Show InChI InChI=1S/C40H39N7O2/c1-26-20-27(2)22-28(21-26)23-30-14-10-11-19-45(30)37(48)25-46-35-17-8-9-18-36(35)47-38(29-12-4-3-5-13-29)43-44-39(47)32(40(46)49)24-34-31-15-6-7-16-33(31)41-42-34/h3-9,12-13,15-18,20-22,30,32H,10-11,14,19,23-25H2,1-2H3,(H,41,42)/t30-,32+/m1/s1
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Mayo Clinic

Curated by ChEMBL


Assay Description
Agonist activity at human CCK2R H7.39L mutant expressed in CHO cells assessed as intracellular calcium response by fluorescence analysis


J Med Chem 58: 9562-77 (2015)

More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50380728
PNG
(CHEMBL2017835)
Show SMILES Cc1cc(C)cc(C[C@H]2CCCCN2C(=O)CN2c3ccccc3-n3c(nnc3-c3ccccc3)[C@H](Cc3n[nH]c4ccccc34)C2=O)c1
Show InChI InChI=1S/C40H39N7O2/c1-26-20-27(2)22-28(21-26)23-30-14-10-11-19-45(30)37(48)25-46-35-17-8-9-18-36(35)47-38(29-12-4-3-5-13-29)43-44-39(47)32(40(46)49)24-34-31-15-6-7-16-33(31)41-42-34/h3-9,12-13,15-18,20-22,30,32H,10-11,14,19,23-25H2,1-2H3,(H,41,42)/t30-,32+/m1/s1
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Mayo Clinic

Curated by ChEMBL


Assay Description
Agonist activity at human CCK2R V6.51I, Y6.52F mutant expressed in CHO cells assessed as intracellular calcium response by fluorescence analysis


J Med Chem 58: 9562-77 (2015)

More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50329179
PNG
(2-((4S)-4-((1H-indol-3-yl)methyl)-5-oxo-1-phenyl-4...)
Show SMILES CC(C)N(Cc1ccccc1)C(=O)CN1c2ccccc2-n2c(nnc2-c2ccccc2)[C@H](Cc2c[nH]c3ccccc23)C1=O
Show InChI InChI=1S/C37H34N6O2/c1-25(2)41(23-26-13-5-3-6-14-26)34(44)24-42-32-19-11-12-20-33(32)43-35(27-15-7-4-8-16-27)39-40-36(43)30(37(42)45)21-28-22-38-31-18-10-9-17-29(28)31/h3-20,22,25,30,38H,21,23-24H2,1-2H3/t30-/m0/s1
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n/an/an/an/a 1.00E+3n/an/an/an/a



Mayo Clinic

Curated by ChEMBL


Assay Description
Partial agonist activity at wild-type human CCK2R expressed in CHO cells assessed as intracellular calcium response by fluorescence analysis


J Med Chem 58: 9562-77 (2015)

More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM21139
PNG
((3S)-3-[(2S)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-...)
Show SMILES CCCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(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/C47H61N9O10/c1-3-5-15-35(53-43(62)33(48)22-29-18-20-31(57)21-19-29)44(63)51-27-40(58)52-38(24-30-26-50-34-17-11-10-14-32(30)34)46(65)54-36(16-6-4-2)45(64)56-39(25-41(59)60)47(66)55-37(42(49)61)23-28-12-8-7-9-13-28/h7-14,17-21,26,33,35-39,50,57H,3-6,15-16,22-25,27,48H2,1-2H3,(H2,49,61)(H,51,63)(H,52,58)(H,53,62)(H,54,65)(H,55,66)(H,56,64)(H,59,60)/t33-,35+,36-,37-,38-,39-/m0/s1
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15 -45.4n/an/a 1.90E+3n/an/a7.430



University of Arizona at Tucson



Assay Description
Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...


J Med Chem 49: 2868-75 (2006)

More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50154430
PNG
((S)-2-[(4R,5R)-2-(4-Dimethylamino-phenyl)-4-methyl...)
Show SMILES C[C@@H]1C2[C@@H](CCCN2C(=O)N(C1=O)c1ccc(cc1)N(C)C)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC1C2CC3CC(C2)CC1C3
Show InChI InChI=1S/C38H47N5O4/c1-22-34-32(9-6-14-42(34)38(46)43(36(22)44)29-12-10-28(11-13-29)41(2)3)40-33(20-27-21-39-31-8-5-4-7-30(27)31)37(45)47-35-25-16-23-15-24(18-25)19-26(35)17-23/h4-5,7-8,10-13,21-26,32-35,39-40H,6,9,14-20H2,1-3H3/t22-,23?,24?,25?,26?,32-,33+,34?,35?/m1/s1
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n/an/an/an/a 2.37E+3n/an/an/an/a



Instituto de Qu£mica M£dica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of (Thr,Nle)-CCK-9 -induced inositol phosphate production in COS-7 cells expressing human CCK2 receptor


J Med Chem 47: 5318-29 (2004)

More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM21146
PNG
((3S)-3-[(2S)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-[(3S)-3-...)
Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C55H66N10O13/c1-3-4-19-45(54(77)64-43(29-48(70)71)53(76)61-40(49(57)72)24-32-13-7-5-8-14-32)65(2)55(78)44(27-35-30-58-39-18-12-11-17-37(35)39)60-46(67)31-59-51(74)41(25-33-15-9-6-10-16-33)63-52(75)42(26-34-20-22-36(66)23-21-34)62-50(73)38(56)28-47(68)69/h5-18,20-23,30,38,40-45,58,66H,3-4,19,24-29,31,56H2,1-2H3,(H2,57,72)(H,59,74)(H,60,67)(H,61,76)(H,62,73)(H,63,75)(H,64,77)(H,68,69)(H,70,71)/t38-,40-,41+,42-,43-,44-,45-/m0/s1
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2.10 -50.4n/an/a>1.00E+4n/an/a7.430



University of Arizona at Tucson



Assay Description
Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...


J Med Chem 49: 2868-75 (2006)

More data for this
Ligand-Target Pair