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Compile Data Set for Download or QSAR

Found 10 hits from CCIPE-Faculte de Pharmacie   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cholecystokinin receptor


(MOUSE)
BDBM50451028
PNG
(CHEMBL2062146 | PD-149164)
Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CC(O)=O)Cc1ccc(F)cc1
Show InChI InChI=1S/C33H38FN3O5/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,10-17H2,1H3,(H,36,40)(H,37,41)(H,38,39)/t20?,21?,22?,23?,26-,30?,33+/m0/s1
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n/an/a 0.0830n/an/an/an/an/an/a



CCIPE-Faculte de Pharmacie

Curated by ChEMBL


Assay Description
Binding affinity towards Cholecystokinin type B receptor in mouse cortex membrane


Bioorg Med Chem Lett 10: 1245-8 (2000)


Article DOI: 10.1016/s0960-894x(00)00198-0
BindingDB Entry DOI: 10.7270/Q2NC61RV
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(MOUSE)
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/a 0.300n/an/an/an/an/an/a



CCIPE-Faculte de Pharmacie

Curated by ChEMBL


Assay Description
Binding affinity towards Cholecystokinin type B receptor in mouse cortex membrane


Bioorg Med Chem Lett 10: 1245-8 (2000)


Article DOI: 10.1016/s0960-894x(00)00198-0
BindingDB Entry DOI: 10.7270/Q2NC61RV
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(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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n/an/a 1n/an/an/an/an/an/a



CCIPE-Faculte de Pharmacie

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity towards rat pancreatic Cholecystokinin type A receptor


Bioorg Med Chem Lett 10: 1245-8 (2000)


Article DOI: 10.1016/s0960-894x(00)00198-0
BindingDB Entry DOI: 10.7270/Q2NC61RV
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50366632
PNG
(PD-170292)
Show SMILES Cc1ccccc1NC(=O)NCCCC[C@@H](CC(O)=O)NC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3
Show InChI InChI=1S/C38H49N5O6/c1-23-9-3-5-12-31(23)42-36(47)39-14-8-7-10-29(20-33(44)45)41-35(46)38(2,21-28-22-40-32-13-6-4-11-30(28)32)43-37(48)49-34-26-16-24-15-25(18-26)19-27(34)17-24/h3-6,9,11-13,22,24-27,29,34,40H,7-8,10,14-21H2,1-2H3,(H,41,46)(H,43,48)(H,44,45)(H2,39,42,47)/t24?,25?,26?,27?,29-,34?,38+/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



CCIPE-Faculte de Pharmacie

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity towards rat pancreatic Cholecystokinin type A receptor


Bioorg Med Chem Lett 10: 1245-8 (2000)


Article DOI: 10.1016/s0960-894x(00)00198-0
BindingDB Entry DOI: 10.7270/Q2NC61RV
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(MOUSE)
BDBM50366632
PNG
(PD-170292)
Show SMILES Cc1ccccc1NC(=O)NCCCC[C@@H](CC(O)=O)NC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3
Show InChI InChI=1S/C38H49N5O6/c1-23-9-3-5-12-31(23)42-36(47)39-14-8-7-10-29(20-33(44)45)41-35(46)38(2,21-28-22-40-32-13-6-4-11-30(28)32)43-37(48)49-34-26-16-24-15-25(18-26)19-27(34)17-24/h3-6,9,11-13,22,24-27,29,34,40H,7-8,10,14-21H2,1-2H3,(H,41,46)(H,43,48)(H,44,45)(H2,39,42,47)/t24?,25?,26?,27?,29-,34?,38+/m0/s1
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n/an/a 6.70n/an/an/an/an/an/a



CCIPE-Faculte de Pharmacie

Curated by ChEMBL


Assay Description
Binding affinity towards Cholecystokinin type B receptor in mouse cortex membrane


Bioorg Med Chem Lett 10: 1245-8 (2000)


Article DOI: 10.1016/s0960-894x(00)00198-0
BindingDB Entry DOI: 10.7270/Q2NC61RV
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(MOUSE)
BDBM50289879
PNG
(CHEMBL62205 | [(S)-2-(1H-Indol-3-yl)-1-methyl-1-ph...)
Show SMILES C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C31H37N3O3/c1-31(18-25-19-33-27-10-6-5-9-26(25)27,29(35)32-12-11-20-7-3-2-4-8-20)34-30(36)37-28-23-14-21-13-22(16-23)17-24(28)15-21/h2-10,19,21-24,28,33H,11-18H2,1H3,(H,32,35)(H,34,36)/t21?,22?,23?,24?,28?,31-/m0/s1
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n/an/a 32n/an/an/an/an/an/a



CCIPE-Faculte de Pharmacie

Curated by ChEMBL


Assay Description
Binding affinity towards Cholecystokinin type B receptor in mouse cortex membrane


Bioorg Med Chem Lett 10: 1245-8 (2000)


Article DOI: 10.1016/s0960-894x(00)00198-0
BindingDB Entry DOI: 10.7270/Q2NC61RV
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50451028
PNG
(CHEMBL2062146 | PD-149164)
Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CC(O)=O)Cc1ccc(F)cc1
Show InChI InChI=1S/C33H38FN3O5/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,10-17H2,1H3,(H,36,40)(H,37,41)(H,38,39)/t20?,21?,22?,23?,26-,30?,33+/m0/s1
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n/an/a 75n/an/an/an/an/an/a



CCIPE-Faculte de Pharmacie

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity towards rat pancreatic Cholecystokinin type A receptor


Bioorg Med Chem Lett 10: 1245-8 (2000)


Article DOI: 10.1016/s0960-894x(00)00198-0
BindingDB Entry DOI: 10.7270/Q2NC61RV
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50089109
PNG
(CHEMBL278780 | [2-{4-[3-(2-Chloro-phenyl)-ureido]-...)
Show SMILES Clc1ccccc1NC(=O)NCCCCNC(=O)CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C43H51ClN6O5/c44-35-13-5-7-15-37(35)49-41(53)47-18-9-8-17-45-38(51)26-43(25-33-27-48-36-14-6-4-12-34(33)36,40(52)46-19-16-28-10-2-1-3-11-28)50-42(54)55-39-31-21-29-20-30(23-31)24-32(39)22-29/h1-7,10-15,27,29-32,39,48H,8-9,16-26H2,(H,45,51)(H,46,52)(H,50,54)(H2,47,49,53)
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n/an/a 150n/an/an/an/an/an/a



CCIPE-Faculte de Pharmacie

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity towards rat pancreatic Cholecystokinin type A receptor


Bioorg Med Chem Lett 10: 1245-8 (2000)


Article DOI: 10.1016/s0960-894x(00)00198-0
BindingDB Entry DOI: 10.7270/Q2NC61RV
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50289879
PNG
(CHEMBL62205 | [(S)-2-(1H-Indol-3-yl)-1-methyl-1-ph...)
Show SMILES C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C31H37N3O3/c1-31(18-25-19-33-27-10-6-5-9-26(25)27,29(35)32-12-11-20-7-3-2-4-8-20)34-30(36)37-28-23-14-21-13-22(16-23)17-24(28)15-21/h2-10,19,21-24,28,33H,11-18H2,1H3,(H,32,35)(H,34,36)/t21?,22?,23?,24?,28?,31-/m0/s1
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n/an/a 650n/an/an/an/an/an/a



CCIPE-Faculte de Pharmacie

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity towards rat pancreatic Cholecystokinin type A receptor


Bioorg Med Chem Lett 10: 1245-8 (2000)


Article DOI: 10.1016/s0960-894x(00)00198-0
BindingDB Entry DOI: 10.7270/Q2NC61RV
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(MOUSE)
BDBM50089109
PNG
(CHEMBL278780 | [2-{4-[3-(2-Chloro-phenyl)-ureido]-...)
Show SMILES Clc1ccccc1NC(=O)NCCCCNC(=O)CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C43H51ClN6O5/c44-35-13-5-7-15-37(35)49-41(53)47-18-9-8-17-45-38(51)26-43(25-33-27-48-36-14-6-4-12-34(33)36,40(52)46-19-16-28-10-2-1-3-11-28)50-42(54)55-39-31-21-29-20-30(23-31)24-32(39)22-29/h1-7,10-15,27,29-32,39,48H,8-9,16-26H2,(H,45,51)(H,46,52)(H,50,54)(H2,47,49,53)
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n/an/a 3.60E+3n/an/an/an/an/an/a



CCIPE-Faculte de Pharmacie

Curated by ChEMBL


Assay Description
Binding affinity towards Cholecystokinin type B receptor in mouse cortex membrane


Bioorg Med Chem Lett 10: 1245-8 (2000)


Article DOI: 10.1016/s0960-894x(00)00198-0
BindingDB Entry DOI: 10.7270/Q2NC61RV
More data for this
Ligand-Target Pair