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Compile Data Set for Download or QSAR

Found 5484 hits Enz. Inhib. hit(s) with Target = 'Cholecystokinin receptor'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
CCKBR


(RAT)
BDBM50056102
PNG
((R)-1-(1-(3,3-dimethyl-2-oxobutyl)-2-oxo-5-(pyridi...)
Show SMILES CNc1cccc(NC(=O)N[C@@H]2N=C(c3ccccn3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1
Show InChI InChI=1S/C28H30N6O3/c1-28(2,3)23(35)17-34-22-14-6-5-12-20(22)24(21-13-7-8-15-30-21)32-25(26(34)36)33-27(37)31-19-11-9-10-18(16-19)29-4/h5-16,25,29H,17H2,1-4H3,(H2,31,33,37)/t25-/m0/s1
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n/an/an/a 0.0794n/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Affinity for CCK2 receptor assessed by inhibition of pentagastrin-stimulated acid secretion in perfused rat stomach


J Med Chem 49: 2253-61 (2006)


Article DOI: 10.1021/jm051219x
BindingDB Entry DOI: 10.7270/Q28K7B8B
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50285624
PNG
((R)-3-[(R)-2-(Adamantan-2-yloxycarbonylamino)-3-(1...)
Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@@H](CC(O)=O)Cc1ccc(N)cc1
Show InChI InChI=1S/C33H40N4O5/c1-33(17-24-18-35-28-5-3-2-4-27(24)28,31(40)36-26(16-29(38)39)15-19-6-8-25(34)9-7-19)37-32(41)42-30-22-11-20-10-21(13-22)14-23(30)12-20/h2-9,18,20-23,26,30,35H,10-17,34H2,1H3,(H,36,40)(H,37,41)(H,38,39)/t20?,21?,22?,23?,26-,30?,33-/m1/s1
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n/an/an/a 0.110n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The equilibrium binding constant to guinea pig cerebral cortex membranes was measured


Bioorg Med Chem Lett 5: 2501-2506 (1995)


Article DOI: 10.1016/0960-894X(95)00435-V
BindingDB Entry DOI: 10.7270/Q2DZ08SM
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50285623
PNG
((R)-3-[(R)-2-(Adamantan-2-yloxycarbonylamino)-3-(1...)
Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@@H](CC(O)=O)Cc1ccc(N)c(I)c1
Show InChI InChI=1S/C33H39IN4O5/c1-33(16-23-17-36-28-5-3-2-4-25(23)28,38-32(42)43-30-21-9-19-8-20(11-21)12-22(30)10-19)31(41)37-24(15-29(39)40)13-18-6-7-27(35)26(34)14-18/h2-7,14,17,19-22,24,30,36H,8-13,15-16,35H2,1H3,(H,37,41)(H,38,42)(H,39,40)/t19?,20?,21?,22?,24-,30?,33-/m1/s1
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n/an/an/a 0.25n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The equilibrium binding constant to guinea pig cerebral cortex membranes was measured


Bioorg Med Chem Lett 5: 2501-2506 (1995)


Article DOI: 10.1016/0960-894X(95)00435-V
BindingDB Entry DOI: 10.7270/Q2DZ08SM
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50410552
PNG
(CHEMBL198933)
Show SMILES OC(=O)c1cccc(NC(=O)c2[nH]c(nc2COC23CC4CC(CC(C4)C2)C3)C23CCC(CC2)CC3)c1
Show InChI InChI=1S/C30H37N3O4/c34-26(31-23-3-1-2-22(13-23)27(35)36)25-24(32-28(33-25)29-7-4-18(5-8-29)6-9-29)17-37-30-14-19-10-20(15-30)12-21(11-19)16-30/h1-3,13,18-21H,4-12,14-17H2,(H,31,34)(H,32,33)(H,35,36)
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n/an/an/a 0.708n/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Antagonist activity against CCK2 receptor estimated from single shifts of pentagastrin concentration-effect curves in the isolated rat stomach


J Med Chem 48: 6803-12 (2005)


Article DOI: 10.1021/jm0490686
BindingDB Entry DOI: 10.7270/Q2PV6MM7
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50410544
PNG
(CHEMBL390519)
Show SMILES OC(=O)c1cccc(NC(=O)c2[nH]c(nc2COC23CC4CC(CC(C4)C2)C3)C2CCCCC2)c1
Show InChI InChI=1S/C28H35N3O4/c32-26(29-22-8-4-7-21(12-22)27(33)34)24-23(30-25(31-24)20-5-2-1-3-6-20)16-35-28-13-17-9-18(14-28)11-19(10-17)15-28/h4,7-8,12,17-20H,1-3,5-6,9-11,13-16H2,(H,29,32)(H,30,31)(H,33,34)
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n/an/an/a 0.871n/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Antagonist activity against CCK2 receptor estimated from single shifts of pentagastrin concentration-effect curves in the isolated rat stomach


J Med Chem 48: 6803-12 (2005)


Article DOI: 10.1021/jm0490686
BindingDB Entry DOI: 10.7270/Q2PV6MM7
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50410564
PNG
(CHEMBL425574)
Show SMILES Cc1ccc(NC(=O)c2[nH]c(nc2CCC23CC4CC(CC(C4)C2)C3)C2(C)CCCCC2)cc1C(O)=O
Show InChI InChI=1S/C31H41N3O3/c1-19-6-7-23(15-24(19)28(36)37)32-27(35)26-25(33-29(34-26)30(2)9-4-3-5-10-30)8-11-31-16-20-12-21(17-31)14-22(13-20)18-31/h6-7,15,20-22H,3-5,8-14,16-18H2,1-2H3,(H,32,35)(H,33,34)(H,36,37)
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n/an/an/a 0.891n/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Antagonist activity against CCK2 receptor estimated from single shifts of pentagastrin concentration-effect curves in the isolated rat stomach


J Med Chem 48: 6803-12 (2005)


Article DOI: 10.1021/jm0490686
BindingDB Entry DOI: 10.7270/Q2PV6MM7
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50410847
PNG
(CHEMBL205455)
Show SMILES CC(C)(C)C(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2cccc(c2)C(O)=O)C1=O)C1CCCCC1
Show InChI InChI=1S/C29H34N4O5/c1-29(2,3)24(34)17-32-23-15-8-7-14-22(23)26(19-10-5-4-6-11-19)31-33(28(32)38)18-25(35)30-21-13-9-12-20(16-21)27(36)37/h7-9,12-16,19H,4-6,10-11,17-18H2,1-3H3,(H,30,35)(H,36,37)
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n/an/an/a 0.977n/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Affinity for CCK2 receptor assessed by inhibition of pentagastrin-stimulated acid secretion in perfused rat stomach


J Med Chem 49: 2253-61 (2006)


Article DOI: 10.1021/jm051219x
BindingDB Entry DOI: 10.7270/Q28K7B8B
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/an/an/a



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)


Article DOI: 10.1021/jm050921q
BindingDB Entry DOI: 10.7270/Q24Q7S99
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50410842
PNG
(CHEMBL204154)
Show SMILES CNc1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1
Show InChI InChI=1S/C29H37N5O3/c1-29(2,3)25(35)18-33-24-16-9-8-15-23(24)27(20-11-6-5-7-12-20)32-34(28(33)37)19-26(36)31-22-14-10-13-21(17-22)30-4/h8-10,13-17,20,30H,5-7,11-12,18-19H2,1-4H3,(H,31,36)
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n/an/an/a 1.32n/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Affinity for CCK2 receptor assessed by inhibition of pentagastrin-stimulated acid secretion in perfused rat stomach


J Med Chem 49: 2253-61 (2006)


Article DOI: 10.1021/jm051219x
BindingDB Entry DOI: 10.7270/Q28K7B8B
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50026690
PNG
(2-[2-(2-{2-[2-{2-[2-(2-Amino-3-phenyl-propionylami...)
Show SMILES CSCC[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](C)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@H](CC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C97H126N20O32S/c1-49(2)39-68(114-95(147)71(43-54-46-101-60-18-11-9-16-57(54)60)116-97(149)73-19-12-37-117(73)75(120)48-103-85(137)58(98)24-30-76(121)122)93(145)110-65(29-35-81(131)132)91(143)109-64(28-34-80(129)130)90(142)108-63(27-33-79(127)128)89(141)107-62(26-32-78(125)126)88(140)106-61(25-31-77(123)124)87(139)104-50(3)84(136)113-69(41-52-20-22-55(118)23-21-52)86(138)102-47-74(119)105-70(42-53-45-100-59-17-10-8-15-56(53)59)94(146)111-66(36-38-150-4)92(144)115-72(44-82(133)134)96(148)112-67(83(99)135)40-51-13-6-5-7-14-51/h5-11,13-18,20-23,45-46,49-50,58,61-73,100-101,118H,12,19,24-44,47-48,98H2,1-4H3,(H2,99,135)(H,102,138)(H,103,137)(H,104,139)(H,105,119)(H,106,140)(H,107,141)(H,108,142)(H,109,143)(H,110,145)(H,111,146)(H,112,148)(H,113,136)(H,114,147)(H,115,144)(H,116,149)(H,121,122)(H,123,124)(H,125,126)(H,127,128)(H,129,130)(H,131,132)(H,133,134)/t50-,58+,61-,62-,63-,64+,65+,66-,67-,68+,69-,70-,71+,72-,73+/m1/s1
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n/an/an/a 1.40n/an/an/an/an/a



NCI-Frederick Cancer Research and Development Center

Curated by ChEMBL


Assay Description
Tested in vitro by the gastrin binding assay for the competitive binding with iodinated gastrin for the gastrin receptors in AR42J cells


J Med Chem 37: 3812-8 (1994)


Article DOI: 10.1021/jm00048a016
BindingDB Entry DOI: 10.7270/Q2TM7BRX
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50410555
PNG
(CHEMBL373050)
Show SMILES CC1(CCCCC1)c1nc(CCC23CC4CC(CC(C4)C2)C3)c([nH]1)C(=O)Nc1cccc(c1)C(O)=O
Show InChI InChI=1S/C30H39N3O3/c1-29(9-3-2-4-10-29)28-32-24(8-11-30-16-19-12-20(17-30)14-21(13-19)18-30)25(33-28)26(34)31-23-7-5-6-22(15-23)27(35)36/h5-7,15,19-21H,2-4,8-14,16-18H2,1H3,(H,31,34)(H,32,33)(H,35,36)
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n/an/an/a 1.62n/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Antagonist activity against CCK2 receptor estimated from single shifts of pentagastrin concentration-effect curves in the isolated rat stomach


J Med Chem 48: 6803-12 (2005)


Article DOI: 10.1021/jm0490686
BindingDB Entry DOI: 10.7270/Q2PV6MM7
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 1.90 28n/an/an/an/a



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)


Article DOI: 10.1021/jm050921q
BindingDB Entry DOI: 10.7270/Q24Q7S99
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50410558
PNG
(CHEMBL199091)
Show SMILES OC(=O)c1cccc(NC(=O)c2[nH]c(nc2CCC23CC4CC(CC(C4)C2)C3)C23CCC(CC2)CC3)c1
Show InChI InChI=1S/C31H39N3O3/c35-27(32-24-3-1-2-23(15-24)28(36)37)26-25(33-29(34-26)31-9-4-19(5-10-31)6-11-31)7-8-30-16-20-12-21(17-30)14-22(13-20)18-30/h1-3,15,19-22H,4-14,16-18H2,(H,32,35)(H,33,34)(H,36,37)
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n/an/an/a 2.45n/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Antagonist activity against CCK2 receptor estimated from single shifts of pentagastrin concentration-effect curves in the isolated rat stomach


J Med Chem 48: 6803-12 (2005)


Article DOI: 10.1021/jm0490686
BindingDB Entry DOI: 10.7270/Q2PV6MM7
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50026690
PNG
(2-[2-(2-{2-[2-{2-[2-(2-Amino-3-phenyl-propionylami...)
Show SMILES CSCC[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](C)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@H](CC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C97H126N20O32S/c1-49(2)39-68(114-95(147)71(43-54-46-101-60-18-11-9-16-57(54)60)116-97(149)73-19-12-37-117(73)75(120)48-103-85(137)58(98)24-30-76(121)122)93(145)110-65(29-35-81(131)132)91(143)109-64(28-34-80(129)130)90(142)108-63(27-33-79(127)128)89(141)107-62(26-32-78(125)126)88(140)106-61(25-31-77(123)124)87(139)104-50(3)84(136)113-69(41-52-20-22-55(118)23-21-52)86(138)102-47-74(119)105-70(42-53-45-100-59-17-10-8-15-56(53)59)94(146)111-66(36-38-150-4)92(144)115-72(44-82(133)134)96(148)112-67(83(99)135)40-51-13-6-5-7-14-51/h5-11,13-18,20-23,45-46,49-50,58,61-73,100-101,118H,12,19,24-44,47-48,98H2,1-4H3,(H2,99,135)(H,102,138)(H,103,137)(H,104,139)(H,105,119)(H,106,140)(H,107,141)(H,108,142)(H,109,143)(H,110,145)(H,111,146)(H,112,148)(H,113,136)(H,114,147)(H,115,144)(H,116,149)(H,121,122)(H,123,124)(H,125,126)(H,127,128)(H,129,130)(H,131,132)(H,133,134)/t50-,58+,61-,62-,63-,64+,65+,66-,67-,68+,69-,70-,71+,72-,73+/m1/s1
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n/an/an/a 3.20n/an/an/an/an/a



NCI-Frederick Cancer Research and Development Center

Curated by ChEMBL


Assay Description
Tested in vitro for gastrin binding to gastrin receptors from guinea pig gastric glands


J Med Chem 37: 3812-8 (1994)


Article DOI: 10.1021/jm00048a016
BindingDB Entry DOI: 10.7270/Q2TM7BRX
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50411975
PNG
(CHEMBL407340)
Show SMILES CC(C)(C)C(=O)CN1c2ccccc2N(C2CCCCCC2)C(=O)N(CC(=O)Nc2cccc(c2)-c2nc(=O)o[nH]2)C1=O
Show InChI InChI=1S/C31H36N6O6/c1-31(2,3)25(38)18-35-23-15-8-9-16-24(23)37(22-13-6-4-5-7-14-22)30(42)36(29(35)41)19-26(39)32-21-12-10-11-20(17-21)27-33-28(40)43-34-27/h8-12,15-17,22H,4-7,13-14,18-19H2,1-3H3,(H,32,39)(H,33,34,40)
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n/an/an/a 3.24n/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Antagonist activity at CCK2 receptor in immature rat stomach assessed as pentagastrin-induced acid secretion


Bioorg Med Chem 16: 2974-83 (2008)


Article DOI: 10.1016/j.bmc.2007.12.047
BindingDB Entry DOI: 10.7270/Q2FT8N8D
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50410551
PNG
(CHEMBL195007)
Show SMILES Cc1cc(C)c(-c2nc(CCC34CC5CC(CC(C5)C3)C4)c([nH]2)C(=O)Nc2ccc(C)c(c2)C(O)=O)c(C)c1
Show InChI InChI=1S/C33H39N3O3/c1-18-9-20(3)28(21(4)10-18)30-35-27(7-8-33-15-22-11-23(16-33)13-24(12-22)17-33)29(36-30)31(37)34-25-6-5-19(2)26(14-25)32(38)39/h5-6,9-10,14,22-24H,7-8,11-13,15-17H2,1-4H3,(H,34,37)(H,35,36)(H,38,39)
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n/an/an/a 3.31n/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Antagonist activity against CCK2 receptor estimated from single shifts of pentagastrin concentration-effect curves in the isolated rat stomach


J Med Chem 48: 6803-12 (2005)


Article DOI: 10.1021/jm0490686
BindingDB Entry DOI: 10.7270/Q2PV6MM7
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50411972
PNG
(CHEMBL258863)
Show SMILES CC(C)(C)C(=O)CN1c2ccccc2N(C2CCCCCC2)C(=O)N(CC(=O)Nc2cccc(SCC(O)=O)c2)C1=O
Show InChI InChI=1S/C31H38N4O6S/c1-31(2,3)26(36)18-33-24-15-8-9-16-25(24)35(22-12-6-4-5-7-13-22)30(41)34(29(33)40)19-27(37)32-21-11-10-14-23(17-21)42-20-28(38)39/h8-11,14-17,22H,4-7,12-13,18-20H2,1-3H3,(H,32,37)(H,38,39)
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n/an/an/a 4.47n/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Antagonist activity at CCK2 receptor in immature rat stomach assessed as pentagastrin-induced acid secretion


Bioorg Med Chem 16: 2974-83 (2008)


Article DOI: 10.1016/j.bmc.2007.12.047
BindingDB Entry DOI: 10.7270/Q2FT8N8D
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50410557
PNG
(CHEMBL196133)
Show SMILES OC(=O)c1cccc(NC(=O)c2[nH]c(nc2CCC23CC4CC(CC(C4)C2)C3)C2CCCCC2)c1
Show InChI InChI=1S/C29H37N3O3/c33-27(30-23-8-4-7-22(14-23)28(34)35)25-24(31-26(32-25)21-5-2-1-3-6-21)9-10-29-15-18-11-19(16-29)13-20(12-18)17-29/h4,7-8,14,18-21H,1-3,5-6,9-13,15-17H2,(H,30,33)(H,31,32)(H,34,35)
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n/an/an/a 4.90n/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Antagonist activity against CCK2 receptor estimated from single shifts of pentagastrin concentration-effect curves in the isolated rat stomach


J Med Chem 48: 6803-12 (2005)


Article DOI: 10.1021/jm0490686
BindingDB Entry DOI: 10.7270/Q2PV6MM7
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50410568
PNG
(CHEMBL196517)
Show SMILES OC(=O)c1cccc(NC(=O)c2[nH]c(nc2CCC23CC4CC(CC(C4)C2)C3)C2CCCCCC2)c1
Show InChI InChI=1S/C30H39N3O3/c34-28(31-24-9-5-8-23(15-24)29(35)36)26-25(32-27(33-26)22-6-3-1-2-4-7-22)10-11-30-16-19-12-20(17-30)14-21(13-19)18-30/h5,8-9,15,19-22H,1-4,6-7,10-14,16-18H2,(H,31,34)(H,32,33)(H,35,36)
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n/an/an/a 5.37n/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Antagonist activity against CCK2 receptor estimated from single shifts of pentagastrin concentration-effect curves in the isolated rat stomach


J Med Chem 48: 6803-12 (2005)


Article DOI: 10.1021/jm0490686
BindingDB Entry DOI: 10.7270/Q2PV6MM7
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50410561
PNG
(CHEMBL426290)
Show SMILES OC(=O)c1cccc(NC(=O)c2[nH]c(nc2CCC23CC4CC(CC(C4)C2)C3)C2CCCC2)c1
Show InChI InChI=1S/C28H35N3O3/c32-26(29-22-7-3-6-21(13-22)27(33)34)24-23(30-25(31-24)20-4-1-2-5-20)8-9-28-14-17-10-18(15-28)12-19(11-17)16-28/h3,6-7,13,17-20H,1-2,4-5,8-12,14-16H2,(H,29,32)(H,30,31)(H,33,34)
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n/an/an/a 7.08n/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Antagonist activity against CCK2 receptor estimated from single shifts of pentagastrin concentration-effect curves in the isolated rat stomach


J Med Chem 48: 6803-12 (2005)


Article DOI: 10.1021/jm0490686
BindingDB Entry DOI: 10.7270/Q2PV6MM7
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50285625
PNG
((R)-3-[(R)-2-(Adamantan-2-yloxycarbonylamino)-3-(1...)
Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@@H](CC(O)=O)Cc1ccc(N=[N+]=[N-])c(I)c1
Show InChI InChI=1S/C33H37IN6O5/c1-33(16-23-17-36-27-5-3-2-4-25(23)27,38-32(44)45-30-21-9-19-8-20(11-21)12-22(30)10-19)31(43)37-24(15-29(41)42)13-18-6-7-28(39-40-35)26(34)14-18/h2-7,14,17,19-22,24,30,36H,8-13,15-16H2,1H3,(H,37,43)(H,38,44)(H,41,42)/t19?,20?,21?,22?,24-,30?,33-/m1/s1
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n/an/an/a 8.10n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The equilibrium binding constant to pig cerebral cortex membranes was measured


Bioorg Med Chem Lett 5: 2501-2506 (1995)


Article DOI: 10.1016/0960-894X(95)00435-V
BindingDB Entry DOI: 10.7270/Q2DZ08SM
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50410560
PNG
(CHEMBL196745)
Show SMILES Cc1cc(C)c(-c2nc(CCC34CC5CC(CC(C5)C3)C4)c([nH]2)C(=O)Nc2cccc(c2)C(O)=O)c(C)c1
Show InChI InChI=1S/C32H37N3O3/c1-18-9-19(2)27(20(3)10-18)29-34-26(7-8-32-15-21-11-22(16-32)13-23(12-21)17-32)28(35-29)30(36)33-25-6-4-5-24(14-25)31(37)38/h4-6,9-10,14,21-23H,7-8,11-13,15-17H2,1-3H3,(H,33,36)(H,34,35)(H,37,38)
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n/an/an/a 8.71n/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Antagonist activity against CCK2 receptor estimated from single shifts of pentagastrin concentration-effect curves in the isolated rat stomach


J Med Chem 48: 6803-12 (2005)


Article DOI: 10.1021/jm0490686
BindingDB Entry DOI: 10.7270/Q2PV6MM7
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50410550
PNG
(CHEMBL370882)
Show SMILES Cc1ccc(-c2nc(CCC34CC5CC(CC(C5)C3)C4)c([nH]2)C(=O)Nc2cccc(c2)C(O)=O)c(C)c1
Show InChI InChI=1S/C31H35N3O3/c1-18-6-7-25(19(2)10-18)28-33-26(8-9-31-15-20-11-21(16-31)13-22(12-20)17-31)27(34-28)29(35)32-24-5-3-4-23(14-24)30(36)37/h3-7,10,14,20-22H,8-9,11-13,15-17H2,1-2H3,(H,32,35)(H,33,34)(H,36,37)
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n/an/an/a 10n/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Antagonist activity against CCK2 receptor estimated from single shifts of pentagastrin concentration-effect curves in the isolated rat stomach


J Med Chem 48: 6803-12 (2005)


Article DOI: 10.1021/jm0490686
BindingDB Entry DOI: 10.7270/Q2PV6MM7
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50410548
PNG
(CHEMBL197370)
Show SMILES CC(C)(C)c1nc(CCC23CC4CC(CC(C4)C2)C3)c([nH]1)C(=O)Nc1cccc(c1)C(O)=O
Show InChI InChI=1S/C27H35N3O3/c1-26(2,3)25-29-21(7-8-27-13-16-9-17(14-27)11-18(10-16)15-27)22(30-25)23(31)28-20-6-4-5-19(12-20)24(32)33/h4-6,12,16-18H,7-11,13-15H2,1-3H3,(H,28,31)(H,29,30)(H,32,33)
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n/an/an/a 11.0n/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Antagonist activity against CCK2 receptor estimated from single shifts of pentagastrin concentration-effect curves in the isolated rat stomach


J Med Chem 48: 6803-12 (2005)


Article DOI: 10.1021/jm0490686
BindingDB Entry DOI: 10.7270/Q2PV6MM7
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50411971
PNG
(CHEMBL264150)
Show SMILES CN(c1nnn[nH]1)c1cccc(NC(=O)CN2C(=O)N(CC(=O)C(C)(C)C)c3ccccc3N(C3CCCCC3)C2=O)c1
Show InChI InChI=1S/C30H37N9O4/c1-30(2,3)25(40)18-37-23-15-8-9-16-24(23)39(21-12-6-5-7-13-21)29(43)38(28(37)42)19-26(41)31-20-11-10-14-22(17-20)36(4)27-32-34-35-33-27/h8-11,14-17,21H,5-7,12-13,18-19H2,1-4H3,(H,31,41)(H,32,33,34,35)
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n/an/an/a 12.6n/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Antagonist activity at CCK2 receptor in immature rat stomach assessed as pentagastrin-induced acid secretion


Bioorg Med Chem 16: 2974-83 (2008)


Article DOI: 10.1016/j.bmc.2007.12.047
BindingDB Entry DOI: 10.7270/Q2FT8N8D
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50410556
PNG
(CHEMBL197780)
Show SMILES Cc1cc(C)c(-c2nc(COC34CC5CC(CC(C5)C3)C4)c([nH]2)C(=O)Nc2cccc(c2)C(O)=O)c(C)c1
Show InChI InChI=1S/C31H35N3O4/c1-17-7-18(2)26(19(3)8-17)28-33-25(16-38-31-13-20-9-21(14-31)11-22(10-20)15-31)27(34-28)29(35)32-24-6-4-5-23(12-24)30(36)37/h4-8,12,20-22H,9-11,13-16H2,1-3H3,(H,32,35)(H,33,34)(H,36,37)
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n/an/an/a 13.5n/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Antagonist activity against CCK2 receptor estimated from single shifts of pentagastrin concentration-effect curves in the isolated rat stomach


J Med Chem 48: 6803-12 (2005)


Article DOI: 10.1021/jm0490686
BindingDB Entry DOI: 10.7270/Q2PV6MM7
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50410845
PNG
(CHEMBL205198)
Show SMILES CC(C)(C)C(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2cccc(CO)c2)C1=O)C1CCCCC1
Show InChI InChI=1S/C29H36N4O4/c1-29(2,3)25(35)17-32-24-15-8-7-14-23(24)27(21-11-5-4-6-12-21)31-33(28(32)37)18-26(36)30-22-13-9-10-20(16-22)19-34/h7-10,13-16,21,34H,4-6,11-12,17-19H2,1-3H3,(H,30,36)
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n/an/an/a 17.0n/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Affinity for CCK2 receptor assessed by inhibition of pentagastrin-stimulated acid secretion in perfused rat stomach


J Med Chem 49: 2253-61 (2006)


Article DOI: 10.1021/jm051219x
BindingDB Entry DOI: 10.7270/Q28K7B8B
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50410838
PNG
(CHEMBL380193)
Show SMILES CC(C)(C)C(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2cccc(c2)N2CCOCC2)C1=O)C1CCCCC1
Show InChI InChI=1S/C32H41N5O4/c1-32(2,3)28(38)21-36-27-15-8-7-14-26(27)30(23-10-5-4-6-11-23)34-37(31(36)40)22-29(39)33-24-12-9-13-25(20-24)35-16-18-41-19-17-35/h7-9,12-15,20,23H,4-6,10-11,16-19,21-22H2,1-3H3,(H,33,39)
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n/an/an/a 18.2n/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Affinity for CCK2 receptor assessed by inhibition of pentagastrin-stimulated acid secretion in perfused rat stomach


J Med Chem 49: 2253-61 (2006)


Article DOI: 10.1021/jm051219x
BindingDB Entry DOI: 10.7270/Q28K7B8B
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50411977
PNG
(CHEMBL260394)
Show SMILES CNc1cccc(NC(=O)CN2C(=O)N(CC(=O)C(C)(C)C)c3ccccc3N(C3CCCCC3)C2=O)c1
Show InChI InChI=1S/C29H37N5O4/c1-29(2,3)25(35)18-32-23-15-8-9-16-24(23)34(22-13-6-5-7-14-22)28(38)33(27(32)37)19-26(36)31-21-12-10-11-20(17-21)30-4/h8-12,15-17,22,30H,5-7,13-14,18-19H2,1-4H3,(H,31,36)
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n/an/an/a 19.5n/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Antagonist activity at CCK2 receptor in immature rat stomach assessed as pentagastrin-induced acid secretion


Bioorg Med Chem 16: 2974-83 (2008)


Article DOI: 10.1016/j.bmc.2007.12.047
BindingDB Entry DOI: 10.7270/Q2FT8N8D
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50411974
PNG
(CHEMBL259557)
Show SMILES Cc1nc(cs1)-c1cccc(NC(=O)CN2C(=O)N(CC(=O)C(C)(C)C)c3ccccc3N(C3CCCCC3)C2=O)c1
Show InChI InChI=1S/C32H37N5O4S/c1-21-33-25(20-42-21)22-11-10-12-23(17-22)34-29(39)19-36-30(40)35(18-28(38)32(2,3)4)26-15-8-9-16-27(26)37(31(36)41)24-13-6-5-7-14-24/h8-12,15-17,20,24H,5-7,13-14,18-19H2,1-4H3,(H,34,39)
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n/an/an/a 19.9n/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Antagonist activity at CCK2 receptor in immature rat stomach assessed as pentagastrin-induced acid secretion


Bioorg Med Chem 16: 2974-83 (2008)


Article DOI: 10.1016/j.bmc.2007.12.047
BindingDB Entry DOI: 10.7270/Q2FT8N8D
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50410565
PNG
(CHEMBL194514)
Show SMILES Cc1ccccc1-c1nc(CCC2CCCCC2)c([nH]1)C(=O)Nc1cccc(c1)C(O)=O
Show InChI InChI=1S/C26H29N3O3/c1-17-8-5-6-13-21(17)24-28-22(15-14-18-9-3-2-4-10-18)23(29-24)25(30)27-20-12-7-11-19(16-20)26(31)32/h5-8,11-13,16,18H,2-4,9-10,14-15H2,1H3,(H,27,30)(H,28,29)(H,31,32)
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n/an/an/a 19.9n/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Antagonist activity against CCK2 receptor estimated from single shifts of pentagastrin concentration-effect curves in the isolated rat stomach


J Med Chem 48: 6803-12 (2005)


Article DOI: 10.1021/jm0490686
BindingDB Entry DOI: 10.7270/Q2PV6MM7
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50410569
PNG
(CHEMBL196441)
Show SMILES CC(C)c1nc(CCC23CC4CC(CC(C4)C2)C3)c([nH]1)C(=O)Nc1cccc(c1)C(O)=O
Show InChI InChI=1S/C26H33N3O3/c1-15(2)23-28-21(6-7-26-12-16-8-17(13-26)10-18(9-16)14-26)22(29-23)24(30)27-20-5-3-4-19(11-20)25(31)32/h3-5,11,15-18H,6-10,12-14H2,1-2H3,(H,27,30)(H,28,29)(H,31,32)
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n/an/an/a 20.9n/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Antagonist activity against CCK2 receptor estimated from single shifts of pentagastrin concentration-effect curves in the isolated rat stomach


J Med Chem 48: 6803-12 (2005)


Article DOI: 10.1021/jm0490686
BindingDB Entry DOI: 10.7270/Q2PV6MM7
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50410559
PNG
(CHEMBL197205)
Show SMILES CC(C)CCc1nc([nH]c1C(=O)Nc1cccc(c1)C(O)=O)-c1ccccc1C
Show InChI InChI=1S/C23H25N3O3/c1-14(2)11-12-19-20(26-21(25-19)18-10-5-4-7-15(18)3)22(27)24-17-9-6-8-16(13-17)23(28)29/h4-10,13-14H,11-12H2,1-3H3,(H,24,27)(H,25,26)(H,28,29)
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n/an/an/a 26.3n/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Antagonist activity against CCK2 receptor estimated from single shifts of pentagastrin concentration-effect curves in the isolated rat stomach


J Med Chem 48: 6803-12 (2005)


Article DOI: 10.1021/jm0490686
BindingDB Entry DOI: 10.7270/Q2PV6MM7
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50411976
PNG
(CHEMBL259276)
Show SMILES CC(C)(C)C(=O)CN1c2ccccc2N(C2CCCCC2)C(=O)N(CC(=O)Nc2cccc(CCC(O)=O)c2)C1=O
Show InChI InChI=1S/C31H38N4O6/c1-31(2,3)26(36)19-33-24-14-7-8-15-25(24)35(23-12-5-4-6-13-23)30(41)34(29(33)40)20-27(37)32-22-11-9-10-21(18-22)16-17-28(38)39/h7-11,14-15,18,23H,4-6,12-13,16-17,19-20H2,1-3H3,(H,32,37)(H,38,39)
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n/an/an/a 26.3n/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Antagonist activity at CCK2 receptor in immature rat stomach assessed as pentagastrin-induced acid secretion


Bioorg Med Chem 16: 2974-83 (2008)


Article DOI: 10.1016/j.bmc.2007.12.047
BindingDB Entry DOI: 10.7270/Q2FT8N8D
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50410848
PNG
(CHEMBL378388)
Show SMILES CC(C)(C)C(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2cccc(O)c2)C1=O)C1CCCCC1
Show InChI InChI=1S/C28H34N4O4/c1-28(2,3)24(34)17-31-23-15-8-7-14-22(23)26(19-10-5-4-6-11-19)30-32(27(31)36)18-25(35)29-20-12-9-13-21(33)16-20/h7-9,12-16,19,33H,4-6,10-11,17-18H2,1-3H3,(H,29,35)
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n/an/an/a 27.5n/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Affinity for CCK2 receptor assessed by inhibition of pentagastrin-stimulated acid secretion in perfused rat stomach


J Med Chem 49: 2253-61 (2006)


Article DOI: 10.1021/jm051219x
BindingDB Entry DOI: 10.7270/Q28K7B8B
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50410837
PNG
(CHEMBL205751)
Show SMILES CNc1cccc(NC(=O)C[C@@H]2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1
Show InChI InChI=1S/C30H38N4O3/c1-30(2,3)26(35)19-34-25-16-9-8-15-23(25)28(20-11-6-5-7-12-20)33-24(29(34)37)18-27(36)32-22-14-10-13-21(17-22)31-4/h8-10,13-17,20,24,31H,5-7,11-12,18-19H2,1-4H3,(H,32,36)/t24-/m0/s1
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n/an/an/a 28.2n/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Affinity for CCK2 receptor assessed by inhibition of pentagastrin-stimulated acid secretion in perfused rat stomach


J Med Chem 49: 2253-61 (2006)


Article DOI: 10.1021/jm051219x
BindingDB Entry DOI: 10.7270/Q28K7B8B
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM81962
PNG
(S-L-365,260)
Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(C)c2)C1=O)c1ccccc1
Show InChI InChI=1S/C24H22N4O2/c1-16-9-8-12-18(15-16)25-24(30)27-22-23(29)28(2)20-14-7-6-13-19(20)21(26-22)17-10-4-3-5-11-17/h3-15,22H,1-2H3,(H2,25,27,30)/t22-/m0/s1
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n/an/an/a 28.8n/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Affinity for CCK2 receptor assessed by inhibition of pentagastrin-stimulated acid secretion in perfused rat stomach


J Med Chem 49: 2253-61 (2006)


Article DOI: 10.1021/jm051219x
BindingDB Entry DOI: 10.7270/Q28K7B8B
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50410852
PNG
(CHEMBL379902)
Show SMILES CNc1cccc(NC(=O)C[C@H]2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1
Show InChI InChI=1S/C30H38N4O3/c1-30(2,3)26(35)19-34-25-16-9-8-15-23(25)28(20-11-6-5-7-12-20)33-24(29(34)37)18-27(36)32-22-14-10-13-21(17-22)31-4/h8-10,13-17,20,24,31H,5-7,11-12,18-19H2,1-4H3,(H,32,36)/t24-/m1/s1
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n/an/an/a 28.8n/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Affinity for CCK2 receptor assessed by inhibition of pentagastrin-stimulated acid secretion in perfused rat stomach


J Med Chem 49: 2253-61 (2006)


Article DOI: 10.1021/jm051219x
BindingDB Entry DOI: 10.7270/Q28K7B8B
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50410554
PNG
(CHEMBL436314)
Show SMILES Cc1ccc(NC(=O)c2[nH]c(nc2CCC23CC4CC(CC(C4)C2)C3)-c2ccccc2C)cc1C(O)=O
Show InChI InChI=1S/C31H35N3O3/c1-18-5-3-4-6-24(18)28-33-26(9-10-31-15-20-11-21(16-31)13-22(12-20)17-31)27(34-28)29(35)32-23-8-7-19(2)25(14-23)30(36)37/h3-8,14,20-22H,9-13,15-17H2,1-2H3,(H,32,35)(H,33,34)(H,36,37)
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n/an/an/a 33.1n/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Antagonist activity against CCK2 receptor estimated from single shifts of pentagastrin concentration-effect curves in the isolated rat stomach


J Med Chem 48: 6803-12 (2005)


Article DOI: 10.1021/jm0490686
BindingDB Entry DOI: 10.7270/Q2PV6MM7
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50410839
PNG
(CHEMBL202680)
Show SMILES CC(C)(C)C(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2cccc(N)c2)C1=O)C1CCCCC1
Show InChI InChI=1S/C28H35N5O3/c1-28(2,3)24(34)17-32-23-15-8-7-14-22(23)26(19-10-5-4-6-11-19)31-33(27(32)36)18-25(35)30-21-13-9-12-20(29)16-21/h7-9,12-16,19H,4-6,10-11,17-18,29H2,1-3H3,(H,30,35)
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n/an/an/a 36.3n/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Affinity for CCK2 receptor assessed by inhibition of pentagastrin-stimulated acid secretion in perfused rat stomach


J Med Chem 49: 2253-61 (2006)


Article DOI: 10.1021/jm051219x
BindingDB Entry DOI: 10.7270/Q28K7B8B
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50411973
PNG
(CHEMBL410114)
Show SMILES CC(C)(C)C(=O)CN1c2ccccc2N(C2CCCCCC2)C(=O)N(CC(=O)Nc2cccc(CC(O)=O)c2)C1=O
Show InChI InChI=1S/C31H38N4O6/c1-31(2,3)26(36)19-33-24-15-8-9-16-25(24)35(23-13-6-4-5-7-14-23)30(41)34(29(33)40)20-27(37)32-22-12-10-11-21(17-22)18-28(38)39/h8-12,15-17,23H,4-7,13-14,18-20H2,1-3H3,(H,32,37)(H,38,39)
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n/an/an/a 43.6n/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Antagonist activity at CCK2 receptor in immature rat stomach assessed as pentagastrin-induced acid secretion


Bioorg Med Chem 16: 2974-83 (2008)


Article DOI: 10.1016/j.bmc.2007.12.047
BindingDB Entry DOI: 10.7270/Q2FT8N8D
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50411970
PNG
(CHEMBL404967)
Show SMILES CC(C)(C)C(=O)CN1c2ccccc2N(C2CCCCC2)C(=O)N(CC(=O)Nc2cccc(c2)-c2nc(=O)o[nH]2)C1=O
Show InChI InChI=1S/C30H34N6O6/c1-30(2,3)24(37)17-34-22-14-7-8-15-23(22)36(21-12-5-4-6-13-21)29(41)35(28(34)40)18-25(38)31-20-11-9-10-19(16-20)26-32-27(39)42-33-26/h7-11,14-16,21H,4-6,12-13,17-18H2,1-3H3,(H,31,38)(H,32,33,39)
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n/an/an/a 44.7n/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Antagonist activity at CCK2 receptor in immature rat stomach assessed as pentagastrin-induced acid secretion


Bioorg Med Chem 16: 2974-83 (2008)


Article DOI: 10.1016/j.bmc.2007.12.047
BindingDB Entry DOI: 10.7270/Q2FT8N8D
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50410836
PNG
(CHEMBL204683)
Show SMILES CNc1cccc(NC(=O)CN2N=C(c3ccccn3)c3ccccc3N(CC(=O)c3ccccc3C)C2=O)c1
Show InChI InChI=1S/C31H28N6O3/c1-21-10-3-4-13-24(21)28(38)19-36-27-16-6-5-14-25(27)30(26-15-7-8-17-33-26)35-37(31(36)40)20-29(39)34-23-12-9-11-22(18-23)32-2/h3-18,32H,19-20H2,1-2H3,(H,34,39)
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n/an/an/a 50.1n/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Affinity for CCK2 receptor assessed by inhibition of pentagastrin-stimulated acid secretion in perfused rat stomach


J Med Chem 49: 2253-61 (2006)


Article DOI: 10.1021/jm051219x
BindingDB Entry DOI: 10.7270/Q28K7B8B
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50410549
PNG
(CHEMBL433776)
Show SMILES CCCc1nc(CCC23CC4CC(CC(C4)C2)C3)c([nH]1)C(=O)Nc1cccc(c1)C(O)=O
Show InChI InChI=1S/C26H33N3O3/c1-2-4-22-28-21(7-8-26-13-16-9-17(14-26)11-18(10-16)15-26)23(29-22)24(30)27-20-6-3-5-19(12-20)25(31)32/h3,5-6,12,16-18H,2,4,7-11,13-15H2,1H3,(H,27,30)(H,28,29)(H,31,32)
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n/an/an/a 52.5n/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Antagonist activity against CCK2 receptor estimated from single shifts of pentagastrin concentration-effect curves in the isolated rat stomach


J Med Chem 48: 6803-12 (2005)


Article DOI: 10.1021/jm0490686
BindingDB Entry DOI: 10.7270/Q2PV6MM7
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50410563
PNG
(CHEMBL196580)
Show SMILES Cc1ccccc1-c1nc(CCC23CC4CC(CC(C4)C2)C3)c([nH]1)C(=O)Nc1cccc(c1)C(O)=O
Show InChI InChI=1S/C30H33N3O3/c1-18-5-2-3-8-24(18)27-32-25(9-10-30-15-19-11-20(16-30)13-21(12-19)17-30)26(33-27)28(34)31-23-7-4-6-22(14-23)29(35)36/h2-8,14,19-21H,9-13,15-17H2,1H3,(H,31,34)(H,32,33)(H,35,36)
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n/an/an/a 58.9n/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Antagonist activity against CCK2 receptor estimated from single shifts of pentagastrin concentration-effect curves in the isolated rat stomach


J Med Chem 48: 6803-12 (2005)


Article DOI: 10.1021/jm0490686
BindingDB Entry DOI: 10.7270/Q2PV6MM7
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50410566
PNG
(CHEMBL196141)
Show SMILES OC(=O)c1cccc(NC(=O)c2[nH]c(nc2CCC23CC4CC(CC(C4)C2)C3)C2CC2)c1
Show InChI InChI=1S/C26H31N3O3/c30-24(27-20-3-1-2-19(11-20)25(31)32)22-21(28-23(29-22)18-4-5-18)6-7-26-12-15-8-16(13-26)10-17(9-15)14-26/h1-3,11,15-18H,4-10,12-14H2,(H,27,30)(H,28,29)(H,31,32)
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n/an/an/a 70.8n/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Antagonist activity against CCK2 receptor estimated from single shifts of pentagastrin concentration-effect curves in the isolated rat stomach


J Med Chem 48: 6803-12 (2005)


Article DOI: 10.1021/jm0490686
BindingDB Entry DOI: 10.7270/Q2PV6MM7
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50411969
PNG
(CHEMBL258782)
Show SMILES CC(C)(C)C(=O)CN1c2ccccc2N(C2CCCCC2)C(=O)N(CCCC(=O)Nc2cccc(c2)-c2nc(=O)o[nH]2)C1=O
Show InChI InChI=1S/C32H38N6O6/c1-32(2,3)26(39)20-37-24-15-7-8-16-25(24)38(23-13-5-4-6-14-23)31(43)36(30(37)42)18-10-17-27(40)33-22-12-9-11-21(19-22)28-34-29(41)44-35-28/h7-9,11-12,15-16,19,23H,4-6,10,13-14,17-18,20H2,1-3H3,(H,33,40)(H,34,35,41)
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n/an/an/a 87.1n/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Antagonist activity at CCK2 receptor in immature rat stomach assessed as pentagastrin-induced acid secretion


Bioorg Med Chem 16: 2974-83 (2008)


Article DOI: 10.1016/j.bmc.2007.12.047
BindingDB Entry DOI: 10.7270/Q2FT8N8D
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50410567
PNG
(CHEMBL198225)
Show SMILES Cc1ccccc1-c1nc(CCC23CC4CC(CC(C4)C2)C3)c([nH]1)C(=O)Nc1ccc(F)c(c1)C(O)=O
Show InChI InChI=1S/C30H32FN3O3/c1-17-4-2-3-5-22(17)27-33-25(8-9-30-14-18-10-19(15-30)12-20(11-18)16-30)26(34-27)28(35)32-21-6-7-24(31)23(13-21)29(36)37/h2-7,13,18-20H,8-12,14-16H2,1H3,(H,32,35)(H,33,34)(H,36,37)
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n/an/an/a 87.1n/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Antagonist activity against CCK2 receptor estimated from single shifts of pentagastrin concentration-effect curves in the isolated rat stomach


J Med Chem 48: 6803-12 (2005)


Article DOI: 10.1021/jm0490686
BindingDB Entry DOI: 10.7270/Q2PV6MM7
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50410841
PNG
(CHEMBL205831)
Show SMILES CN(C)c1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1
Show InChI InChI=1S/C30H39N5O3/c1-30(2,3)26(36)19-34-25-17-10-9-16-24(25)28(21-12-7-6-8-13-21)32-35(29(34)38)20-27(37)31-22-14-11-15-23(18-22)33(4)5/h9-11,14-18,21H,6-8,12-13,19-20H2,1-5H3,(H,31,37)
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n/an/an/a 91.2n/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Affinity for CCK2 receptor assessed by inhibition of pentagastrin-stimulated acid secretion in perfused rat stomach


J Med Chem 49: 2253-61 (2006)


Article DOI: 10.1021/jm051219x
BindingDB Entry DOI: 10.7270/Q28K7B8B
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50410545
PNG
(CHEMBL383386)
Show SMILES Cc1cccc(C)c1-c1nc(CCC23CC4CC(CC(C4)C2)C3)c([nH]1)C(=O)Nc1cccc(c1)C(O)=O
Show InChI InChI=1S/C31H35N3O3/c1-18-5-3-6-19(2)26(18)28-33-25(9-10-31-15-20-11-21(16-31)13-22(12-20)17-31)27(34-28)29(35)32-24-8-4-7-23(14-24)30(36)37/h3-8,14,20-22H,9-13,15-17H2,1-2H3,(H,32,35)(H,33,34)(H,36,37)
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n/an/an/a 100n/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Antagonist activity against CCK2 receptor estimated from single shifts of pentagastrin concentration-effect curves in the isolated rat stomach


J Med Chem 48: 6803-12 (2005)


Article DOI: 10.1021/jm0490686
BindingDB Entry DOI: 10.7270/Q2PV6MM7
More data for this
Ligand-Target Pair
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