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Compile Data Set for Download or QSAR

Found 196 hits with Last Name = 'maigret' and Initial = 'b'   
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
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50092393
PNG
(3-(2-{[2-(2-{2-[2-tert-Butoxycarbonylamino-3-(4-su...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)OC(C)(C)C)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/C53H71N9O15S/c1-7-9-19-38(58-48(68)40(61-52(72)76-53(3,4)5)27-33-22-24-35(25-23-33)77-78(73,74)75)47(67)56-31-44(63)57-42(28-34-30-55-37-20-15-14-18-36(34)37)51(71)62(6)43(21-10-8-2)50(70)60-41(29-45(64)65)49(69)59-39(46(54)66)26-32-16-12-11-13-17-32/h11-18,20,22-25,30,38-43,55H,7-10,19,21,26-29,31H2,1-6H3,(H2,54,66)(H,56,67)(H,57,63)(H,58,68)(H,59,69)(H,60,70)(H,61,72)(H,64,65)(H,73,74,75)/t38-,39-,40-,41-,42-,43-/m0/s1
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0.150n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against cholecystokinin type B receptor on guinea pig cortex.


J Med Chem 43: 3614-23 (2000)


Article DOI: 10.1021/jm0000416
BindingDB Entry DOI: 10.7270/Q2RN373C
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50092405
PNG
((S)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-((S)-2-{[...)
Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C34H42N6O9/c1-3-4-14-27(33(48)39-25(17-29(42)43)32(47)38-24(31(35)46)15-20-10-6-5-7-11-20)40(2)34(49)26(37-28(41)18-30(44)45)16-21-19-36-23-13-9-8-12-22(21)23/h5-13,19,24-27,36H,3-4,14-18H2,1-2H3,(H2,35,46)(H,37,41)(H,38,47)(H,39,48)(H,42,43)(H,44,45)/t24-,25-,26-,27-/m0/s1
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0.280n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against cholecystokinin type B receptor on guinea pig cortex.


J Med Chem 43: 3614-23 (2000)


Article DOI: 10.1021/jm0000416
BindingDB Entry DOI: 10.7270/Q2RN373C
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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0.300n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against cholecystokinin type B receptor on guinea pig cortex.


J Med Chem 43: 3614-23 (2000)


Article DOI: 10.1021/jm0000416
BindingDB Entry DOI: 10.7270/Q2RN373C
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50092393
PNG
(3-(2-{[2-(2-{2-[2-tert-Butoxycarbonylamino-3-(4-su...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)OC(C)(C)C)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/C53H71N9O15S/c1-7-9-19-38(58-48(68)40(61-52(72)76-53(3,4)5)27-33-22-24-35(25-23-33)77-78(73,74)75)47(67)56-31-44(63)57-42(28-34-30-55-37-20-15-14-18-36(34)37)51(71)62(6)43(21-10-8-2)50(70)60-41(29-45(64)65)49(69)59-39(46(54)66)26-32-16-12-11-13-17-32/h11-18,20,22-25,30,38-43,55H,7-10,19,21,26-29,31H2,1-6H3,(H2,54,66)(H,56,67)(H,57,63)(H,58,68)(H,59,69)(H,60,70)(H,61,72)(H,64,65)(H,73,74,75)/t38-,39-,40-,41-,42-,43-/m0/s1
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0.310n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity against Cholecystokinin type B receptor expressed in CHO cells on the rat brain.


J Med Chem 43: 3614-23 (2000)


Article DOI: 10.1021/jm0000416
BindingDB Entry DOI: 10.7270/Q2RN373C
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50092408
PNG
(CHEMBL120150 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-(2...)
Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CS(O)(=O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C33H42N6O10S/c1-3-4-14-27(32(45)38-25(17-29(41)42)31(44)37-24(30(34)43)15-20-10-6-5-7-11-20)39(2)33(46)26(36-28(40)19-50(47,48)49)16-21-18-35-23-13-9-8-12-22(21)23/h5-13,18,24-27,35H,3-4,14-17,19H2,1-2H3,(H2,34,43)(H,36,40)(H,37,44)(H,38,45)(H,41,42)(H,47,48,49)/t24-,25-,26-,27-/m0/s1
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0.540n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against cholecystokinin type B receptor on guinea pig cortex.


J Med Chem 43: 3614-23 (2000)


Article DOI: 10.1021/jm0000416
BindingDB Entry DOI: 10.7270/Q2RN373C
More data for this
Ligand-Target Pair
CCKBR


(RAT)
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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0.600n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity against Cholecystokinin type B receptor expressed in CHO cells on the rat brain.


J Med Chem 43: 3614-23 (2000)


Article DOI: 10.1021/jm0000416
BindingDB Entry DOI: 10.7270/Q2RN373C
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
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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0.700n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity against CCK1 (cholecystokinin) receptor on guinea pig pancreatic membranes


J Med Chem 43: 3614-23 (2000)


Article DOI: 10.1021/jm0000416
BindingDB Entry DOI: 10.7270/Q2RN373C
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50092398
PNG
((S)-3-((S)-2-{[(S)-2-tert-Butoxycarbonylamino-3-(1...)
Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C36H48N6O8/c1-6-7-17-29(33(47)40-27(20-30(43)44)32(46)39-26(31(37)45)18-22-13-9-8-10-14-22)42(5)34(48)28(41-35(49)50-36(2,3)4)19-23-21-38-25-16-12-11-15-24(23)25/h8-16,21,26-29,38H,6-7,17-20H2,1-5H3,(H2,37,45)(H,39,46)(H,40,47)(H,41,49)(H,43,44)/t26-,27-,28-,29-/m0/s1
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>0.700n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Affinity against Cholecystokinin type A receptor on guinea pig pancreatic membranes.


J Med Chem 43: 3614-23 (2000)


Article DOI: 10.1021/jm0000416
BindingDB Entry DOI: 10.7270/Q2RN373C
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50092405
PNG
((S)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-((S)-2-{[...)
Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C34H42N6O9/c1-3-4-14-27(33(48)39-25(17-29(42)43)32(47)38-24(31(35)46)15-20-10-6-5-7-11-20)40(2)34(49)26(37-28(41)18-30(44)45)16-21-19-36-23-13-9-8-12-22(21)23/h5-13,19,24-27,36H,3-4,14-18H2,1-2H3,(H2,35,46)(H,37,41)(H,38,47)(H,39,48)(H,42,43)(H,44,45)/t24-,25-,26-,27-/m0/s1
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>0.700n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Affinity against Cholecystokinin type A receptor on guinea pig pancreatic membranes.


J Med Chem 43: 3614-23 (2000)


Article DOI: 10.1021/jm0000416
BindingDB Entry DOI: 10.7270/Q2RN373C
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50092405
PNG
((S)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-((S)-2-{[...)
Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C34H42N6O9/c1-3-4-14-27(33(48)39-25(17-29(42)43)32(47)38-24(31(35)46)15-20-10-6-5-7-11-20)40(2)34(49)26(37-28(41)18-30(44)45)16-21-19-36-23-13-9-8-12-22(21)23/h5-13,19,24-27,36H,3-4,14-18H2,1-2H3,(H2,35,46)(H,37,41)(H,38,47)(H,39,48)(H,42,43)(H,44,45)/t24-,25-,26-,27-/m0/s1
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0.75n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity against Cholecystokinin type B receptor expressed in CHO cells on the rat brain.


J Med Chem 43: 3614-23 (2000)


Article DOI: 10.1021/jm0000416
BindingDB Entry DOI: 10.7270/Q2RN373C
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50092398
PNG
((S)-3-((S)-2-{[(S)-2-tert-Butoxycarbonylamino-3-(1...)
Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C36H48N6O8/c1-6-7-17-29(33(47)40-27(20-30(43)44)32(46)39-26(31(37)45)18-22-13-9-8-10-14-22)42(5)34(48)28(41-35(49)50-36(2,3)4)19-23-21-38-25-16-12-11-15-24(23)25/h8-16,21,26-29,38H,6-7,17-20H2,1-5H3,(H2,37,45)(H,39,46)(H,40,47)(H,41,49)(H,43,44)/t26-,27-,28-,29-/m0/s1
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0.800n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against cholecystokinin type B receptor on guinea pig cortex.


J Med Chem 43: 3614-23 (2000)


Article DOI: 10.1021/jm0000416
BindingDB Entry DOI: 10.7270/Q2RN373C
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50092388
PNG
(3-(2-{[2-(3-tert-Butoxycarbonylamino-propionylamin...)
Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=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/C39H53N7O9/c1-6-7-17-31(36(52)45-29(22-33(48)49)35(51)44-28(34(40)50)20-24-13-9-8-10-14-24)46(5)37(53)30(21-25-23-42-27-16-12-11-15-26(25)27)43-32(47)18-19-41-38(54)55-39(2,3)4/h8-16,23,28-31,42H,6-7,17-22H2,1-5H3,(H2,40,50)(H,41,54)(H,43,47)(H,44,51)(H,45,52)(H,48,49)/t28-,29-,30-,31-/m0/s1
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1.35n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Affinity against Cholecystokinin type A receptor on guinea pig pancreatic membranes.


J Med Chem 43: 3614-23 (2000)


Article DOI: 10.1021/jm0000416
BindingDB Entry DOI: 10.7270/Q2RN373C
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50092387
PNG
(CHEMBL118610 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-(2...)
Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C35H46N6O7/c1-5-6-16-29(34(47)39-27(19-30(42)43)33(46)38-26(31(36)44)17-22-12-8-7-9-13-22)41(4)35(48)28(40-32(45)21(2)3)18-23-20-37-25-15-11-10-14-24(23)25/h7-15,20-21,26-29,37H,5-6,16-19H2,1-4H3,(H2,36,44)(H,38,46)(H,39,47)(H,40,45)(H,42,43)/t26-,27-,28-,29-/m0/s1
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1.37n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against cholecystokinin type B receptor on guinea pig cortex.


J Med Chem 43: 3614-23 (2000)


Article DOI: 10.1021/jm0000416
BindingDB Entry DOI: 10.7270/Q2RN373C
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50092399
PNG
(3-(2-{[2-(2-Benzylcarbamoyl-acetylamino)-3-(1H-ind...)
Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC(=O)NCc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C41H49N7O8/c1-3-4-19-34(40(55)47-32(22-37(51)52)39(54)46-31(38(42)53)20-26-13-7-5-8-14-26)48(2)41(56)33(21-28-25-43-30-18-12-11-17-29(28)30)45-36(50)23-35(49)44-24-27-15-9-6-10-16-27/h5-18,25,31-34,43H,3-4,19-24H2,1-2H3,(H2,42,53)(H,44,49)(H,45,50)(H,46,54)(H,47,55)(H,51,52)/t31-,32-,33-,34-/m0/s1
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1.81n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against cholecystokinin type B receptor on guinea pig cortex.


J Med Chem 43: 3614-23 (2000)


Article DOI: 10.1021/jm0000416
BindingDB Entry DOI: 10.7270/Q2RN373C
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50092391
PNG
(3-(2-{[2-(2-Carbamoyl-acetylamino)-3-(1H-indol-3-y...)
Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C34H43N7O8/c1-3-4-14-27(33(48)40-25(17-30(44)45)32(47)39-24(31(36)46)15-20-10-6-5-7-11-20)41(2)34(49)26(38-29(43)18-28(35)42)16-21-19-37-23-13-9-8-12-22(21)23/h5-13,19,24-27,37H,3-4,14-18H2,1-2H3,(H2,35,42)(H2,36,46)(H,38,43)(H,39,47)(H,40,48)(H,44,45)/t24-,25-,26-,27-/m0/s1
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2.05n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Affinity against Cholecystokinin type A receptor on guinea pig pancreatic membranes.


J Med Chem 43: 3614-23 (2000)


Article DOI: 10.1021/jm0000416
BindingDB Entry DOI: 10.7270/Q2RN373C
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50092404
PNG
(CHEMBL261934 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-(2...)
Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)COC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C34H44N6O8/c1-4-5-15-28(33(46)39-26(18-30(42)43)32(45)38-25(31(35)44)16-21-11-7-6-8-12-21)40(2)34(47)27(37-29(41)20-48-3)17-22-19-36-24-14-10-9-13-23(22)24/h6-14,19,25-28,36H,4-5,15-18,20H2,1-3H3,(H2,35,44)(H,37,41)(H,38,45)(H,39,46)(H,42,43)/t25-,26-,27-,28-/m0/s1
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2.52n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against cholecystokinin type B receptor on guinea pig cortex.


J Med Chem 43: 3614-23 (2000)


Article DOI: 10.1021/jm0000416
BindingDB Entry DOI: 10.7270/Q2RN373C
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50092398
PNG
((S)-3-((S)-2-{[(S)-2-tert-Butoxycarbonylamino-3-(1...)
Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C36H48N6O8/c1-6-7-17-29(33(47)40-27(20-30(43)44)32(46)39-26(31(37)45)18-22-13-9-8-10-14-22)42(5)34(48)28(41-35(49)50-36(2,3)4)19-23-21-38-25-16-12-11-15-24(23)25/h8-16,21,26-29,38H,6-7,17-20H2,1-5H3,(H2,37,45)(H,39,46)(H,40,47)(H,41,49)(H,43,44)/t26-,27-,28-,29-/m0/s1
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2.60n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity against Cholecystokinin type B receptor expressed in CHO cells on the rat brain.


J Med Chem 43: 3614-23 (2000)


Article DOI: 10.1021/jm0000416
BindingDB Entry DOI: 10.7270/Q2RN373C
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50092396
PNG
(3-(2-{[2-Amino-3-(1H-indol-3-yl)-propionyl]-methyl...)
Show SMILES CCCC[C@H](N(C)C(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C31H40N6O6/c1-3-4-14-26(37(2)31(43)22(32)16-20-18-34-23-13-9-8-12-21(20)23)30(42)36-25(17-27(38)39)29(41)35-24(28(33)40)15-19-10-6-5-7-11-19/h5-13,18,22,24-26,34H,3-4,14-17,32H2,1-2H3,(H2,33,40)(H,35,41)(H,36,42)(H,38,39)/t22-,24-,25-,26-/m0/s1
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2.60n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Affinity against Cholecystokinin type A receptor on guinea pig pancreatic membranes.


J Med Chem 43: 3614-23 (2000)


Article DOI: 10.1021/jm0000416
BindingDB Entry DOI: 10.7270/Q2RN373C
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50092410
PNG
(2-tert-Butoxycarbonylamino-N-[1-({1-[1-(1-carbamoy...)
Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[C@H](NC(=O)OC(C)(C)C)C(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C40H53N7O11/c1-6-7-17-31(36(53)45-28(21-33(49)50)35(52)44-27(34(41)51)18-23-13-9-8-10-14-23)47(5)37(54)29(19-24-22-42-26-16-12-11-15-25(24)26)43-32(48)20-30(38(55)56)46-39(57)58-40(2,3)4/h8-16,22,27-31,42H,6-7,17-21H2,1-5H3,(H2,41,51)(H,43,48)(H,44,52)(H,45,53)(H,46,57)(H,49,50)(H,55,56)/t27-,28-,29-,30-,31-/m0/s1
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2.70n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against cholecystokinin type B receptor on guinea pig cortex.


J Med Chem 43: 3614-23 (2000)


Article DOI: 10.1021/jm0000416
BindingDB Entry DOI: 10.7270/Q2RN373C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50174419
PNG
(1-[2-(4-amino-5-chloro-2-methoxyphenylcarbonyloxy)...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)C(=O)NCCOCCOCCNC(=O)C1CCN(CCOC(=O)c2cc(Cl)c(N)cc2OC)CC1
Show InChI InChI=1S/C38H54Cl2N6O10/c1-51-33-23-31(41)29(39)21-27(33)37(49)55-17-13-45-9-3-25(4-10-45)35(47)43-7-15-53-19-20-54-16-8-44-36(48)26-5-11-46(12-6-26)14-18-56-38(50)28-22-30(40)32(42)24-34(28)52-2/h21-26H,3-20,41-42H2,1-2H3,(H,43,47)(H,44,48)
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3n/an/an/an/an/an/an/an/a



Université de Paris XI

Curated by ChEMBL


Assay Description
Binding affinity for 5-HT4 receptor using [3H]-GR-113,808


J Med Chem 48: 6220-8 (2005)


Article DOI: 10.1021/jm050234z
BindingDB Entry DOI: 10.7270/Q22N51V9
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50092384
PNG
(CHEMBL100538 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-(2...)
Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C35H44N6O9/c1-3-4-14-28(34(49)40-26(19-31(45)46)33(48)39-25(32(36)47)17-21-10-6-5-7-11-21)41(2)35(50)27(38-29(42)15-16-30(43)44)18-22-20-37-24-13-9-8-12-23(22)24/h5-13,20,25-28,37H,3-4,14-19H2,1-2H3,(H2,36,47)(H,38,42)(H,39,48)(H,40,49)(H,43,44)(H,45,46)/t25-,26-,27-,28-/m0/s1
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3.02n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Affinity against Cholecystokinin type A receptor on guinea pig pancreatic membranes.


J Med Chem 43: 3614-23 (2000)


Article DOI: 10.1021/jm0000416
BindingDB Entry DOI: 10.7270/Q2RN373C
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50092389
PNG
(CHEMBL321456 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-(2...)
Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC(=O)OC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C35H44N6O9/c1-4-5-15-28(34(48)40-26(18-30(43)44)33(47)39-25(32(36)46)16-21-11-7-6-8-12-21)41(2)35(49)27(38-29(42)19-31(45)50-3)17-22-20-37-24-14-10-9-13-23(22)24/h6-14,20,25-28,37H,4-5,15-19H2,1-3H3,(H2,36,46)(H,38,42)(H,39,47)(H,40,48)(H,43,44)/t25-,26-,27-,28-/m0/s1
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3.61n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against cholecystokinin type B receptor on guinea pig cortex.


J Med Chem 43: 3614-23 (2000)


Article DOI: 10.1021/jm0000416
BindingDB Entry DOI: 10.7270/Q2RN373C
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50092414
PNG
(CHEMBL120335 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-(2...)
Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C35H44N6O8/c1-4-5-15-29(34(48)40-27(19-31(44)45)33(47)39-26(32(36)46)17-22-11-7-6-8-12-22)41(3)35(49)28(38-30(43)16-21(2)42)18-23-20-37-25-14-10-9-13-24(23)25/h6-14,20,26-29,37H,4-5,15-19H2,1-3H3,(H2,36,46)(H,38,43)(H,39,47)(H,40,48)(H,44,45)/t26-,27-,28-,29-/m0/s1
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3.84n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against cholecystokinin type B receptor on guinea pig cortex.


J Med Chem 43: 3614-23 (2000)


Article DOI: 10.1021/jm0000416
BindingDB Entry DOI: 10.7270/Q2RN373C
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50092411
PNG
(2-tert-Butoxycarbonylamino-N-[1-({1-[1-(1-carbamoy...)
Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C40H53N7O11/c1-6-7-17-31(36(53)45-28(21-33(49)50)35(52)44-27(34(41)51)18-23-13-9-8-10-14-23)47(5)37(54)29(19-24-22-42-26-16-12-11-15-25(24)26)43-32(48)20-30(38(55)56)46-39(57)58-40(2,3)4/h8-16,22,27-31,42H,6-7,17-21H2,1-5H3,(H2,41,51)(H,43,48)(H,44,52)(H,45,53)(H,46,57)(H,49,50)(H,55,56)/t27-,28-,29-,30+,31-/m0/s1
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4.07n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against cholecystokinin type B receptor on guinea pig cortex.


J Med Chem 43: 3614-23 (2000)


Article DOI: 10.1021/jm0000416
BindingDB Entry DOI: 10.7270/Q2RN373C
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50092402
PNG
(CHEMBL122872 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-(2...)
Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C34H44N6O7/c1-4-6-16-28(40(3)34(47)27(37-29(41)5-2)18-22-20-36-24-15-11-10-14-23(22)24)33(46)39-26(19-30(42)43)32(45)38-25(31(35)44)17-21-12-8-7-9-13-21/h7-15,20,25-28,36H,4-6,16-19H2,1-3H3,(H2,35,44)(H,37,41)(H,38,45)(H,39,46)(H,42,43)/t25-,26-,27-,28-/m0/s1
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4.35n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Affinity against Cholecystokinin type A receptor on guinea pig pancreatic membranes.


J Med Chem 43: 3614-23 (2000)


Article DOI: 10.1021/jm0000416
BindingDB Entry DOI: 10.7270/Q2RN373C
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50092397
PNG
(3-Amino-N-[1-({1-[1-(1-carbamoyl-2-phenyl-ethylcar...)
Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)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/C35H45N7O9/c1-3-4-14-28(34(50)40-26(18-30(45)46)33(49)39-25(31(37)47)15-20-10-6-5-7-11-20)42(2)35(51)27(41-32(48)23(36)17-29(43)44)16-21-19-38-24-13-9-8-12-22(21)24/h5-13,19,23,25-28,38H,3-4,14-18,36H2,1-2H3,(H2,37,47)(H,39,49)(H,40,50)(H,41,48)(H,43,44)(H,45,46)/t23-,25+,26+,27+,28+/m1/s1
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4.80n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against cholecystokinin type B receptor on guinea pig cortex.


J Med Chem 43: 3614-23 (2000)


Article DOI: 10.1021/jm0000416
BindingDB Entry DOI: 10.7270/Q2RN373C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM29526
PNG
(2-Piperidinoethyl 4-amino-5-chloro-2-methoxybenzoa...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCCCC1
Show InChI InChI=1S/C15H21ClN2O3/c1-20-14-10-13(17)12(16)9-11(14)15(19)21-8-7-18-5-3-2-4-6-18/h9-10H,2-8,17H2,1H3
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5n/an/an/an/an/an/an/an/a



Université de Paris XI

Curated by ChEMBL


Assay Description
Binding affinity for 5-HT4 receptor using [3H]-GR-113,808


J Med Chem 48: 6220-8 (2005)


Article DOI: 10.1021/jm050234z
BindingDB Entry DOI: 10.7270/Q22N51V9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50174440
PNG
(1-[2-(4-amino-5-chloro-2-hydroxyphenylcarbonyloxy)...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)C(=O)NCCCCCNC(=O)C1CCN(CCOC(=O)c2cc(Cl)c(N)cc2O)CC1
Show InChI InChI=1S/C36H50Cl2N6O8/c1-50-32-22-30(40)28(38)20-26(32)36(49)52-18-16-44-13-7-24(8-14-44)34(47)42-10-4-2-3-9-41-33(46)23-5-11-43(12-6-23)15-17-51-35(48)25-19-27(37)29(39)21-31(25)45/h19-24,45H,2-18,39-40H2,1H3,(H,41,46)(H,42,47)
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5n/an/an/an/an/an/an/an/a



Université de Paris XI

Curated by ChEMBL


Assay Description
Binding affinity for 5-HT4 receptor using [3H]-GR-113,808


J Med Chem 48: 6220-8 (2005)


Article DOI: 10.1021/jm050234z
BindingDB Entry DOI: 10.7270/Q22N51V9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50174432
PNG
(1-[2-(3-amino-4-chloro-2-methoxyphenylcarbonyloxy)...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)C(=O)NCc1cccc(CNC(=O)C2CCN(CCOC(=O)c3cc(Cl)c(N)cc3OC)CC2)c1
Show InChI InChI=1S/C40H50Cl2N6O8/c1-53-35-21-33(43)31(41)19-29(35)39(51)55-16-14-47-10-6-27(7-11-47)37(49)45-23-25-4-3-5-26(18-25)24-46-38(50)28-8-12-48(13-9-28)15-17-56-40(52)30-20-32(42)34(44)22-36(30)54-2/h3-5,18-22,27-28H,6-17,23-24,43-44H2,1-2H3,(H,45,49)(H,46,50)
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5n/an/an/an/an/an/an/an/a



Université de Paris XI

Curated by ChEMBL


Assay Description
Binding affinity for 5-HT4 receptor using [3H]-GR-113,808


J Med Chem 48: 6220-8 (2005)


Article DOI: 10.1021/jm050234z
BindingDB Entry DOI: 10.7270/Q22N51V9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50174414
PNG
(4-(3-{1-[2-(4-amino-5-chloro-2-hydroxyphenylcarbon...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)NC(=O)CCCC(=O)NC1CCN(CCOC(=O)c2cc(Cl)c(N)cc2O)CC1
Show InChI InChI=1S/C34H46Cl2N6O8/c1-48-30-20-28(38)26(36)18-24(30)34(47)50-16-14-42-11-7-22(8-12-42)40-32(45)4-2-3-31(44)39-21-5-9-41(10-6-21)13-15-49-33(46)23-17-25(35)27(37)19-29(23)43/h17-22,43H,2-16,37-38H2,1H3,(H,39,44)(H,40,45)
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5n/an/an/an/an/an/an/an/a



Université de Paris XI

Curated by ChEMBL


Assay Description
Binding affinity for 5-HT4 receptor using [3H]-GR-113,808


J Med Chem 48: 6220-8 (2005)


Article DOI: 10.1021/jm050234z
BindingDB Entry DOI: 10.7270/Q22N51V9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50174416
PNG
(1-[2-(4-amino-5-chloro-2-methoxyphenylcarbonyloxy)...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)C(=O)NCCCOCCOCCOCNC(=O)C1CCN(CCOC(=O)c2cc(Cl)c(N)cc2OC)CC1
Show InChI InChI=1S/C40H58Cl2N6O11/c1-53-35-24-33(43)31(41)22-29(35)39(51)58-16-13-47-9-4-27(5-10-47)37(49)45-8-3-15-55-18-19-56-20-21-57-26-46-38(50)28-6-11-48(12-7-28)14-17-59-40(52)30-23-32(42)34(44)25-36(30)54-2/h22-25,27-28H,3-21,26,43-44H2,1-2H3,(H,45,49)(H,46,50)
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6n/an/an/an/an/an/an/an/a



Université de Paris XI

Curated by ChEMBL


Assay Description
Binding affinity for 5-HT4 receptor using [3H]-GR-113,808


J Med Chem 48: 6220-8 (2005)


Article DOI: 10.1021/jm050234z
BindingDB Entry DOI: 10.7270/Q22N51V9
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50092395
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(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C60H81N11O17S/c1-6-8-20-41-52(76)64-43(23-15-16-28-62-49(72)32-47(71-59(83)87-60(3,4)5)57(81)68-45(55(79)65-41)30-36-24-26-38(27-25-36)88-89(84,85)86)54(78)69-46(31-37-34-63-40-22-14-13-19-39(37)40)56(80)66-42(21-9-7-2)53(77)70-48(33-50(73)74)58(82)67-44(51(61)75)29-35-17-11-10-12-18-35/h10-14,17-19,22,24-27,34,41-48,63H,6-9,15-16,20-21,23,28-33H2,1-5H3,(H2,61,75)(H,62,72)(H,64,76)(H,65,79)(H,66,80)(H,67,82)(H,68,81)(H,69,78)(H,70,77)(H,71,83)(H,73,74)(H,84,85,86)/t41-,42-,43+,44-,45+,46-,47-,48-/m0/s1
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6.40n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against cholecystokinin type B receptor on guinea pig cortex.


J Med Chem 43: 3614-23 (2000)


Article DOI: 10.1021/jm0000416
BindingDB Entry DOI: 10.7270/Q2RN373C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50174434
PNG
(1-[2-(4-amino-5-chloro-2-hydroxyphenylcarbonyloxy)...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)C(=O)NCCCCCC(=O)NC1CCN(CCOC(=O)c2cc(Cl)c(N)cc2O)CC1
Show InChI InChI=1S/C36H50Cl2N6O8/c1-50-32-22-30(40)28(38)20-26(32)36(49)52-18-15-43-11-6-23(7-12-43)34(47)41-10-4-2-3-5-33(46)42-24-8-13-44(14-9-24)16-17-51-35(48)25-19-27(37)29(39)21-31(25)45/h19-24,45H,2-18,39-40H2,1H3,(H,41,47)(H,42,46)
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7n/an/an/an/an/an/an/an/a



Université de Paris XI

Curated by ChEMBL


Assay Description
Binding affinity for 5-HT4 receptor using [3H]-GR-113,808


J Med Chem 48: 6220-8 (2005)


Article DOI: 10.1021/jm050234z
BindingDB Entry DOI: 10.7270/Q22N51V9
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50092413
PNG
(3-tert-Butoxycarbonylamino-N-[1-({1-[1-(1-carbamoy...)
Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)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/C40H53N7O11/c1-6-7-17-31(37(55)44-28(20-32(48)49)35(53)43-27(34(41)52)18-23-13-9-8-10-14-23)47(5)38(56)30(19-24-22-42-26-16-12-11-15-25(24)26)45-36(54)29(21-33(50)51)46-39(57)58-40(2,3)4/h8-16,22,27-31,42H,6-7,17-21H2,1-5H3,(H2,41,52)(H,43,53)(H,44,55)(H,45,54)(H,46,57)(H,48,49)(H,50,51)/t27-,28-,29+,30-,31-/m0/s1
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7.31n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against cholecystokinin type B receptor on guinea pig cortex.


J Med Chem 43: 3614-23 (2000)


Article DOI: 10.1021/jm0000416
BindingDB Entry DOI: 10.7270/Q2RN373C
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50092406
PNG
(3-tert-Butoxycarbonylamino-N-[1-({1-[1-(1-carbamoy...)
Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)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/C40H53N7O11/c1-6-7-17-31(37(55)44-28(20-32(48)49)35(53)43-27(34(41)52)18-23-13-9-8-10-14-23)47(5)38(56)30(19-24-22-42-26-16-12-11-15-25(24)26)45-36(54)29(21-33(50)51)46-39(57)58-40(2,3)4/h8-16,22,27-31,42H,6-7,17-21H2,1-5H3,(H2,41,52)(H,43,53)(H,44,55)(H,45,54)(H,46,57)(H,48,49)(H,50,51)/t27-,28-,29-,30-,31-/m0/s1
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7.76n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against cholecystokinin type B receptor on guinea pig cortex.


J Med Chem 43: 3614-23 (2000)


Article DOI: 10.1021/jm0000416
BindingDB Entry DOI: 10.7270/Q2RN373C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50174421
PNG
(1-[2-(4-amino-5-chloro-2-methoxyphenylcarbonyloxy)...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CNC(=O)CCC(=O)NCC2CCN(CCOC(=O)c3cc(Cl)c(N)cc3OC)CC2)CC1
Show InChI InChI=1S/C36H50Cl2N6O8/c1-49-31-19-29(39)27(37)17-25(31)35(47)51-15-13-43-9-5-23(6-10-43)21-41-33(45)3-4-34(46)42-22-24-7-11-44(12-8-24)14-16-52-36(48)26-18-28(38)30(40)20-32(26)50-2/h17-20,23-24H,3-16,21-22,39-40H2,1-2H3,(H,41,45)(H,42,46)
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8n/an/an/an/an/an/an/an/a



Université de Paris XI

Curated by ChEMBL


Assay Description
Binding affinity for 5-HT4 receptor using [3H]-GR-113,808


J Med Chem 48: 6220-8 (2005)


Article DOI: 10.1021/jm050234z
BindingDB Entry DOI: 10.7270/Q22N51V9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50174430
PNG
(1-[2-(4-amino-5-chloro-2-hydroxyphenylcarbonyloxy)...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)C(=O)NCCCCCCCCCCNC(=O)C1CCN(CCOC(=O)c2cc(Cl)c(N)cc2O)CC1
Show InChI InChI=1S/C41H60Cl2N6O8/c1-55-37-27-35(45)33(43)25-31(37)41(54)57-23-21-49-18-12-29(13-19-49)39(52)47-15-9-7-5-3-2-4-6-8-14-46-38(51)28-10-16-48(17-11-28)20-22-56-40(53)30-24-32(42)34(44)26-36(30)50/h24-29,50H,2-23,44-45H2,1H3,(H,46,51)(H,47,52)
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8n/an/an/an/an/an/an/an/a



Université de Paris XI

Curated by ChEMBL


Assay Description
Binding affinity for 5-HT4 receptor using [3H]-GR-113,808


J Med Chem 48: 6220-8 (2005)


Article DOI: 10.1021/jm050234z
BindingDB Entry DOI: 10.7270/Q22N51V9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50174435
PNG
(1-[2-(4-amino-5-chloro-2-methoxyphenylcarbonyloxy)...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CNC(=O)CCCC(=O)NCC2CCN(CCOC(=O)c3cc(Cl)c(N)cc3OC)CC2)CC1
Show InChI InChI=1S/C37H52Cl2N6O8/c1-50-32-20-30(40)28(38)18-26(32)36(48)52-16-14-44-10-6-24(7-11-44)22-42-34(46)4-3-5-35(47)43-23-25-8-12-45(13-9-25)15-17-53-37(49)27-19-29(39)31(41)21-33(27)51-2/h18-21,24-25H,3-17,22-23,40-41H2,1-2H3,(H,42,46)(H,43,47)
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9n/an/an/an/an/an/an/an/a



Université de Paris XI

Curated by ChEMBL


Assay Description
Binding affinity for 5-HT4 receptor using [3H]-GR-113,808


J Med Chem 48: 6220-8 (2005)


Article DOI: 10.1021/jm050234z
BindingDB Entry DOI: 10.7270/Q22N51V9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50174420
PNG
(1-[2-(4-amino-5-chloro-2-hydroxyphenylcarbonyloxy)...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)NC(=O)CCCCCC(=O)NC1CCN(CCOC(=O)c2cc(Cl)c(N)cc2O)CC1
Show InChI InChI=1S/C36H50Cl2N6O8/c1-50-32-22-30(40)28(38)20-26(32)36(49)52-18-16-44-13-9-24(10-14-44)42-34(47)6-4-2-3-5-33(46)41-23-7-11-43(12-8-23)15-17-51-35(48)25-19-27(37)29(39)21-31(25)45/h19-24,45H,2-18,39-40H2,1H3,(H,41,46)(H,42,47)
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9n/an/an/an/an/an/an/an/a



Université de Paris XI

Curated by ChEMBL


Assay Description
Binding affinity for 5-HT4 receptor using [3H]-GR-113,808


J Med Chem 48: 6220-8 (2005)


Article DOI: 10.1021/jm050234z
BindingDB Entry DOI: 10.7270/Q22N51V9
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50002477
PNG
((S)-3-{(S)-2-[(S)-2-tert-Butoxycarbonylamino-3-(1H...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C34H44N6O8S/c1-34(2,3)48-33(47)40-26(17-21-19-36-23-13-9-8-12-22(21)23)31(45)37-24(14-15-49-4)30(44)39-27(18-28(41)42)32(46)38-25(29(35)43)16-20-10-6-5-7-11-20/h5-13,19,24-27,36H,14-18H2,1-4H3,(H2,35,43)(H,37,45)(H,38,46)(H,39,44)(H,40,47)(H,41,42)/t24-,25-,26-,27-/m0/s1
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9.40n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity against Cholecystokinin type B receptor expressed in CHO cells on the rat brain.


J Med Chem 43: 3614-23 (2000)


Article DOI: 10.1021/jm0000416
BindingDB Entry DOI: 10.7270/Q2RN373C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50174443
PNG
(1-[2-(4-amino-5-chloro-2-methoxyphenylcarbonyloxy)...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CCNC(=O)CCC(=O)NCCC2CCN(CCOC(=O)c3cc(Cl)c(N)cc3OC)CC2)CC1
Show InChI InChI=1S/C38H54Cl2N6O8/c1-51-33-23-31(41)29(39)21-27(33)37(49)53-19-17-45-13-7-25(8-14-45)5-11-43-35(47)3-4-36(48)44-12-6-26-9-15-46(16-10-26)18-20-54-38(50)28-22-30(40)32(42)24-34(28)52-2/h21-26H,3-20,41-42H2,1-2H3,(H,43,47)(H,44,48)
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10n/an/an/an/an/an/an/an/a



Université de Paris XI

Curated by ChEMBL


Assay Description
Binding affinity for 5-HT4 receptor using [3H]-GR-113,808


J Med Chem 48: 6220-8 (2005)


Article DOI: 10.1021/jm050234z
BindingDB Entry DOI: 10.7270/Q22N51V9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50174422
PNG
(1-[2-(4-amino-5-chloro-2-methoxyphenylcarbonyloxy)...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CCNC(=O)CCCC(=O)NCCC2CCN(CCOC(=O)c3cc(Cl)c(N)cc3OC)CC2)CC1
Show InChI InChI=1S/C39H56Cl2N6O8/c1-52-34-24-32(42)30(40)22-28(34)38(50)54-20-18-46-14-8-26(9-15-46)6-12-44-36(48)4-3-5-37(49)45-13-7-27-10-16-47(17-11-27)19-21-55-39(51)29-23-31(41)33(43)25-35(29)53-2/h22-27H,3-21,42-43H2,1-2H3,(H,44,48)(H,45,49)
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11n/an/an/an/an/an/an/an/a



Université de Paris XI

Curated by ChEMBL


Assay Description
Binding affinity for 5-HT4 receptor using [3H]-GR-113,808


J Med Chem 48: 6220-8 (2005)


Article DOI: 10.1021/jm050234z
BindingDB Entry DOI: 10.7270/Q22N51V9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50174444
PNG
(1-[2-(4-amino-5-chloro-2-methoxyphenylcarbonyloxy)...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CNC(=O)CCCCCC(=O)NCC2CCN(CCOC(=O)c3cc(Cl)c(N)cc3OC)CC2)CC1
Show InChI InChI=1S/C39H56Cl2N6O8/c1-52-34-22-32(42)30(40)20-28(34)38(50)54-18-16-46-12-8-26(9-13-46)24-44-36(48)6-4-3-5-7-37(49)45-25-27-10-14-47(15-11-27)17-19-55-39(51)29-21-31(41)33(43)23-35(29)53-2/h20-23,26-27H,3-19,24-25,42-43H2,1-2H3,(H,44,48)(H,45,49)
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11n/an/an/an/an/an/an/an/a



Université de Paris XI

Curated by ChEMBL


Assay Description
Binding affinity for 5-HT4 receptor using [3H]-GR-113,808


J Med Chem 48: 6220-8 (2005)


Article DOI: 10.1021/jm050234z
BindingDB Entry DOI: 10.7270/Q22N51V9
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50092409
PNG
(3-Amino-N-[1-({1-[1-(1-carbamoyl-2-phenyl-ethylcar...)
Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)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/C35H45N7O9/c1-3-4-14-28(34(50)40-26(18-30(45)46)33(49)39-25(31(37)47)15-20-10-6-5-7-11-20)42(2)35(51)27(41-32(48)23(36)17-29(43)44)16-21-19-38-24-13-9-8-12-22(21)24/h5-13,19,23,25-28,38H,3-4,14-18,36H2,1-2H3,(H2,37,47)(H,39,49)(H,40,50)(H,41,48)(H,43,44)(H,45,46)/t23-,25-,26-,27-,28-/m0/s1
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11.9n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against cholecystokinin type B receptor on guinea pig cortex.


J Med Chem 43: 3614-23 (2000)


Article DOI: 10.1021/jm0000416
BindingDB Entry DOI: 10.7270/Q2RN373C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50174415
PNG
(1-[2-(4-amino-5-chloro-2-hydroxyphenylcarbonyloxy)...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)C(=O)NCCCNC(=O)C1CCN(CCOC(=O)c2cc(Cl)c(N)cc2O)CC1
Show InChI InChI=1S/C34H46Cl2N6O8/c1-48-30-20-28(38)26(36)18-24(30)34(47)50-16-14-42-11-5-22(6-12-42)32(45)40-8-2-7-39-31(44)21-3-9-41(10-4-21)13-15-49-33(46)23-17-25(35)27(37)19-29(23)43/h17-22,43H,2-16,37-38H2,1H3,(H,39,44)(H,40,45)
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13n/an/an/an/an/an/an/an/a



Université de Paris XI

Curated by ChEMBL


Assay Description
Binding affinity for 5-HT4 receptor using [3H]-GR-113,808


J Med Chem 48: 6220-8 (2005)


Article DOI: 10.1021/jm050234z
BindingDB Entry DOI: 10.7270/Q22N51V9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50174417
PNG
(1-[2-(4-amino-5-chloro-2-methoxyphenylcarbonyloxy)...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CCNC(=O)CCCCCC(=O)NCCC2CCN(CCOC(=O)c3cc(Cl)c(N)cc3OC)CC2)CC1
Show InChI InChI=1S/C41H60Cl2N6O8/c1-54-36-26-34(44)32(42)24-30(36)40(52)56-22-20-48-16-10-28(11-17-48)8-14-46-38(50)6-4-3-5-7-39(51)47-15-9-29-12-18-49(19-13-29)21-23-57-41(53)31-25-33(43)35(45)27-37(31)55-2/h24-29H,3-23,44-45H2,1-2H3,(H,46,50)(H,47,51)
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13n/an/an/an/an/an/an/an/a



Université de Paris XI

Curated by ChEMBL


Assay Description
Binding affinity for 5-HT4 receptor using [3H]-GR-113,808


J Med Chem 48: 6220-8 (2005)


Article DOI: 10.1021/jm050234z
BindingDB Entry DOI: 10.7270/Q22N51V9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50174439
PNG
(4-Amino-5-chloro-2-methoxy-benzoic acid 2-[4-(11-a...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)NC(=O)CCCCCCCCCCN
Show InChI InChI=1S/C26H43ClN4O4/c1-34-24-19-23(29)22(27)18-21(24)26(33)35-17-16-31-14-11-20(12-15-31)30-25(32)10-8-6-4-2-3-5-7-9-13-28/h18-20H,2-17,28-29H2,1H3,(H,30,32)
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13n/an/an/an/an/an/an/an/a



Université de Paris XI

Curated by ChEMBL


Assay Description
Binding affinity for 5-HT4 receptor using [3H]-GR-113,808


J Med Chem 48: 6220-8 (2005)


Article DOI: 10.1021/jm050234z
BindingDB Entry DOI: 10.7270/Q22N51V9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50174433
PNG
(1-[2-(4-amino-5-chloro-2-methoxyphenylcarbonyloxy)...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)NC(=O)CCCCCCCCCCC(=O)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C39H58ClN5O5/c1-49-36-28-35(41)34(40)27-33(36)39(48)50-26-25-44-21-17-31(18-22-44)42-37(46)15-11-6-4-2-3-5-7-12-16-38(47)43-32-19-23-45(24-20-32)29-30-13-9-8-10-14-30/h8-10,13-14,27-28,31-32H,2-7,11-12,15-26,29,41H2,1H3,(H,42,46)(H,43,47)
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14n/an/an/an/an/an/an/an/a



Université de Paris XI

Curated by ChEMBL


Assay Description
Binding affinity for 5-HT4 receptor using [3H]-GR-113,808


J Med Chem 48: 6220-8 (2005)


Article DOI: 10.1021/jm050234z
BindingDB Entry DOI: 10.7270/Q22N51V9
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50092400
PNG
(3-(2-{[2-(2-Amino-propionylamino)-3-(1H-indol-3-yl...)
Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](C)N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C34H45N7O7/c1-4-5-15-28(33(47)39-26(18-29(42)43)32(46)38-25(30(36)44)16-21-11-7-6-8-12-21)41(3)34(48)27(40-31(45)20(2)35)17-22-19-37-24-14-10-9-13-23(22)24/h6-14,19-20,25-28,37H,4-5,15-18,35H2,1-3H3,(H2,36,44)(H,38,46)(H,39,47)(H,40,45)(H,42,43)/t20-,25+,26+,27+,28+/m1/s1
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15n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Affinity against Cholecystokinin type A receptor on guinea pig pancreatic membranes.


J Med Chem 43: 3614-23 (2000)


Article DOI: 10.1021/jm0000416
BindingDB Entry DOI: 10.7270/Q2RN373C
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50092401
PNG
(CHEMBL177799 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-{[...)
Show SMILES C[C@@]1(Cc2c[nH]c3ccccc23)NC(=O)CCCCCCC[C@H](NC1=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C35H44N6O7/c1-35(20-23-21-37-25-15-11-10-14-24(23)25)34(48)40-26(16-8-3-2-4-9-17-29(42)41-35)32(46)39-28(19-30(43)44)33(47)38-27(31(36)45)18-22-12-6-5-7-13-22/h5-7,10-15,21,26-28,37H,2-4,8-9,16-20H2,1H3,(H2,36,45)(H,38,47)(H,39,46)(H,40,48)(H,41,42)(H,43,44)/t26-,27-,28-,35-/m0/s1
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15n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against cholecystokinin type B receptor on guinea pig cortex.


J Med Chem 43: 3614-23 (2000)


Article DOI: 10.1021/jm0000416
BindingDB Entry DOI: 10.7270/Q2RN373C
More data for this
Ligand-Target Pair
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