Found 18 hits Enz. Inhib. hit(s) with all data for entry = 50029134 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50016425
((S)-3-{(S)-2-[(S)-2-(2-{(S)-2-[(S)-2-tert-Butoxyca...)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@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C52H69N9O15S/c1-6-8-18-37(57-48(68)40(61-51(71)75-52(3,4)5)26-32-21-23-34(24-22-32)76-77(72,73)74)46(66)55-30-43(62)56-41(27-33-29-54-36-20-14-13-17-35(33)36)49(69)58-38(19-9-7-2)47(67)60-42(28-44(63)64)50(70)59-39(45(53)65)25-31-15-11-10-12-16-31/h10-17,20-24,29,37-42,54H,6-9,18-19,25-28,30H2,1-5H3,(H2,53,65)(H,55,66)(H,56,62)(H,57,68)(H,58,69)(H,59,70)(H,60,67)(H,61,71)(H,63,64)(H,72,73,74)/t37-,38-,39-,40-,41-,42-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 0.290 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro binding affinity against Cholecystokinin type B receptor in guinea pig brain membranes |
Bioorg Med Chem Lett 3: 851-854 (1993)
Article DOI: 10.1016/S0960-894X(00)80679-4
BindingDB Entry DOI: 10.7270/Q2J9669G |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(RAT) | BDBM50016425
((S)-3-{(S)-2-[(S)-2-(2-{(S)-2-[(S)-2-tert-Butoxyca...)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@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C52H69N9O15S/c1-6-8-18-37(57-48(68)40(61-51(71)75-52(3,4)5)26-32-21-23-34(24-22-32)76-77(72,73)74)46(66)55-30-43(62)56-41(27-33-29-54-36-20-14-13-17-35(33)36)49(69)58-38(19-9-7-2)47(67)60-42(28-44(63)64)50(70)59-39(45(53)65)25-31-15-11-10-12-16-31/h10-17,20-24,29,37-42,54H,6-9,18-19,25-28,30H2,1-5H3,(H2,53,65)(H,55,66)(H,56,62)(H,57,68)(H,58,69)(H,59,70)(H,60,67)(H,61,71)(H,63,64)(H,72,73,74)/t37-,38-,39-,40-,41-,42-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro binding affinity against Cholecystokinin type B receptor of rat pancreatic acini |
Bioorg Med Chem Lett 3: 851-854 (1993)
Article DOI: 10.1016/S0960-894X(00)80679-4
BindingDB Entry DOI: 10.7270/Q2J9669G |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50281671
((S)-3-{(S)-2-[(S)-2-(2-{(S)-2-[(S)-2-tert-Butoxyca...)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@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C51H68N8O14S/c1-6-8-18-38(56-48(66)40(59-50(68)72-51(3,4)5)27-33-21-23-35(24-22-33)73-74(69,70)71)45(63)54-31-43(60)55-41(28-34-30-53-37-20-14-13-17-36(34)37)49(67)57-39(19-9-7-2)47(65)58-42(29-44(61)62)46(64)52-26-25-32-15-11-10-12-16-32/h10-17,20-24,30,38-42,53H,6-9,18-19,25-29,31H2,1-5H3,(H,52,64)(H,54,63)(H,55,60)(H,56,66)(H,57,67)(H,58,65)(H,59,68)(H,61,62)(H,69,70,71)/t38-,39-,40-,41-,42-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro binding affinity against Cholecystokinin type B receptor in guinea pig brain membranes |
Bioorg Med Chem Lett 3: 851-854 (1993)
Article DOI: 10.1016/S0960-894X(00)80679-4
BindingDB Entry DOI: 10.7270/Q2J9669G |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50281671
((S)-3-{(S)-2-[(S)-2-(2-{(S)-2-[(S)-2-tert-Butoxyca...)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@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C51H68N8O14S/c1-6-8-18-38(56-48(66)40(59-50(68)72-51(3,4)5)27-33-21-23-35(24-22-33)73-74(69,70)71)45(63)54-31-43(60)55-41(28-34-30-53-37-20-14-13-17-36(34)37)49(67)57-39(19-9-7-2)47(65)58-42(29-44(61)62)46(64)52-26-25-32-15-11-10-12-16-32/h10-17,20-24,30,38-42,53H,6-9,18-19,25-29,31H2,1-5H3,(H,52,64)(H,54,63)(H,55,60)(H,56,66)(H,57,67)(H,58,65)(H,59,68)(H,61,62)(H,69,70,71)/t38-,39-,40-,41-,42-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro binding affinity against Cholecystokinin type B receptor in guinea pig brain membranes |
Bioorg Med Chem Lett 3: 851-854 (1993)
Article DOI: 10.1016/S0960-894X(00)80679-4
BindingDB Entry DOI: 10.7270/Q2J9669G |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50281673
((S)-3-{(S)-2-[(S)-2-(2-{(S)-2-[(S)-2-tert-Butoxyca...)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@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C57H72N8O14S/c1-6-8-23-44(62-54(72)46(65-56(74)78-57(3,4)5)30-36-26-28-40(29-27-36)79-80(75,76)77)51(69)60-35-49(66)61-47(31-39-33-58-43-25-17-16-22-41(39)43)55(73)63-45(24-9-7-2)53(71)64-48(32-50(67)68)52(70)59-34-42(37-18-12-10-13-19-37)38-20-14-11-15-21-38/h10-22,25-29,33,42,44-48,58H,6-9,23-24,30-32,34-35H2,1-5H3,(H,59,70)(H,60,69)(H,61,66)(H,62,72)(H,63,73)(H,64,71)(H,65,74)(H,67,68)(H,75,76,77)/t44-,45-,46-,47-,48-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro binding affinity against Cholecystokinin type B receptor in guinea pig brain membranes |
Bioorg Med Chem Lett 3: 851-854 (1993)
Article DOI: 10.1016/S0960-894X(00)80679-4
BindingDB Entry DOI: 10.7270/Q2J9669G |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50281674
((S)-N-(1-Benzyl-2-phenyl-ethyl)-3-{(S)-2-[(S)-2-(2...)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@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)NC(Cc1ccccc1)Cc1ccccc1 Show InChI InChI=1S/C58H74N8O14S/c1-6-8-23-45(63-55(73)47(66-57(75)79-58(3,4)5)32-39-26-28-42(29-27-39)80-81(76,77)78)52(70)60-36-50(67)62-48(33-40-35-59-44-25-17-16-22-43(40)44)56(74)64-46(24-9-7-2)53(71)65-49(34-51(68)69)54(72)61-41(30-37-18-12-10-13-19-37)31-38-20-14-11-15-21-38/h10-22,25-29,35,41,45-49,59H,6-9,23-24,30-34,36H2,1-5H3,(H,60,70)(H,61,72)(H,62,67)(H,63,73)(H,64,74)(H,65,71)(H,66,75)(H,68,69)(H,76,77,78)/t45-,46-,47-,48-,49-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 72 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro binding affinity against Cholecystokinin type B receptor in guinea pig brain membranes |
Bioorg Med Chem Lett 3: 851-854 (1993)
Article DOI: 10.1016/S0960-894X(00)80679-4
BindingDB Entry DOI: 10.7270/Q2J9669G |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(RAT) | BDBM50281671
((S)-3-{(S)-2-[(S)-2-(2-{(S)-2-[(S)-2-tert-Butoxyca...)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@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C51H68N8O14S/c1-6-8-18-38(56-48(66)40(59-50(68)72-51(3,4)5)27-33-21-23-35(24-22-33)73-74(69,70)71)45(63)54-31-43(60)55-41(28-34-30-53-37-20-14-13-17-36(34)37)49(67)57-39(19-9-7-2)47(65)58-42(29-44(61)62)46(64)52-26-25-32-15-11-10-12-16-32/h10-17,20-24,30,38-42,53H,6-9,18-19,25-29,31H2,1-5H3,(H,52,64)(H,54,63)(H,55,60)(H,56,66)(H,57,67)(H,58,65)(H,59,68)(H,61,62)(H,69,70,71)/t38-,39-,40-,41-,42-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro binding affinity against Cholecystokinin type B receptor of rat pancreatic acini |
Bioorg Med Chem Lett 3: 851-854 (1993)
Article DOI: 10.1016/S0960-894X(00)80679-4
BindingDB Entry DOI: 10.7270/Q2J9669G |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(RAT) | BDBM50281671
((S)-3-{(S)-2-[(S)-2-(2-{(S)-2-[(S)-2-tert-Butoxyca...)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@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C51H68N8O14S/c1-6-8-18-38(56-48(66)40(59-50(68)72-51(3,4)5)27-33-21-23-35(24-22-33)73-74(69,70)71)45(63)54-31-43(60)55-41(28-34-30-53-37-20-14-13-17-36(34)37)49(67)57-39(19-9-7-2)47(65)58-42(29-44(61)62)46(64)52-26-25-32-15-11-10-12-16-32/h10-17,20-24,30,38-42,53H,6-9,18-19,25-29,31H2,1-5H3,(H,52,64)(H,54,63)(H,55,60)(H,56,66)(H,57,67)(H,58,65)(H,59,68)(H,61,62)(H,69,70,71)/t38-,39-,40-,41-,42-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro binding affinity against Cholecystokinin type B receptor of rat pancreatic acini |
Bioorg Med Chem Lett 3: 851-854 (1993)
Article DOI: 10.1016/S0960-894X(00)80679-4
BindingDB Entry DOI: 10.7270/Q2J9669G |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(RAT) | BDBM50281675
((S)-3-{(S)-2-[(R)-2-(2-{(S)-2-[(S)-2-tert-Butoxyca...)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@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C51H68N8O14S/c1-6-8-18-38(56-48(66)40(59-50(68)72-51(3,4)5)27-33-21-23-35(24-22-33)73-74(69,70)71)45(63)54-31-43(60)55-41(28-34-30-53-37-20-14-13-17-36(34)37)49(67)57-39(19-9-7-2)47(65)58-42(29-44(61)62)46(64)52-26-25-32-15-11-10-12-16-32/h10-17,20-24,30,38-42,53H,6-9,18-19,25-29,31H2,1-5H3,(H,52,64)(H,54,63)(H,55,60)(H,56,66)(H,57,67)(H,58,65)(H,59,68)(H,61,62)(H,69,70,71)/t38-,39-,40-,41+,42-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro binding affinity against Cholecystokinin type B receptor of rat pancreatic acini |
Bioorg Med Chem Lett 3: 851-854 (1993)
Article DOI: 10.1016/S0960-894X(00)80679-4
BindingDB Entry DOI: 10.7270/Q2J9669G |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50281670
((S)-3-{(S)-2-[(R)-2-(2-{(S)-2-[(S)-2-tert-Butoxyca...)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@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C57H72N8O14S/c1-6-8-23-44(62-54(72)46(65-56(74)78-57(3,4)5)30-36-26-28-40(29-27-36)79-80(75,76)77)51(69)60-35-49(66)61-47(31-39-33-58-43-25-17-16-22-41(39)43)55(73)63-45(24-9-7-2)53(71)64-48(32-50(67)68)52(70)59-34-42(37-18-12-10-13-19-37)38-20-14-11-15-21-38/h10-22,25-29,33,42,44-48,58H,6-9,23-24,30-32,34-35H2,1-5H3,(H,59,70)(H,60,69)(H,61,66)(H,62,72)(H,63,73)(H,64,71)(H,65,74)(H,67,68)(H,75,76,77)/t44-,45-,46-,47+,48-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro binding affinity against Cholecystokinin type B receptor in guinea pig brain membranes |
Bioorg Med Chem Lett 3: 851-854 (1993)
Article DOI: 10.1016/S0960-894X(00)80679-4
BindingDB Entry DOI: 10.7270/Q2J9669G |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(RAT) | BDBM50281673
((S)-3-{(S)-2-[(S)-2-(2-{(S)-2-[(S)-2-tert-Butoxyca...)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@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C57H72N8O14S/c1-6-8-23-44(62-54(72)46(65-56(74)78-57(3,4)5)30-36-26-28-40(29-27-36)79-80(75,76)77)51(69)60-35-49(66)61-47(31-39-33-58-43-25-17-16-22-41(39)43)55(73)63-45(24-9-7-2)53(71)64-48(32-50(67)68)52(70)59-34-42(37-18-12-10-13-19-37)38-20-14-11-15-21-38/h10-22,25-29,33,42,44-48,58H,6-9,23-24,30-32,34-35H2,1-5H3,(H,59,70)(H,60,69)(H,61,66)(H,62,72)(H,63,73)(H,64,71)(H,65,74)(H,67,68)(H,75,76,77)/t44-,45-,46-,47-,48-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro binding affinity against Cholecystokinin type B receptor of rat pancreatic acini |
Bioorg Med Chem Lett 3: 851-854 (1993)
Article DOI: 10.1016/S0960-894X(00)80679-4
BindingDB Entry DOI: 10.7270/Q2J9669G |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50281672
((S)-N-(1-Benzyl-2-phenyl-ethyl)-3-{(S)-2-[(R)-2-(2...)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@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)NC(Cc1ccccc1)Cc1ccccc1 Show InChI InChI=1S/C58H74N8O14S/c1-6-8-23-45(63-55(73)47(66-57(75)79-58(3,4)5)32-39-26-28-42(29-27-39)80-81(76,77)78)52(70)60-36-50(67)62-48(33-40-35-59-44-25-17-16-22-43(40)44)56(74)64-46(24-9-7-2)53(71)65-49(34-51(68)69)54(72)61-41(30-37-18-12-10-13-19-37)31-38-20-14-11-15-21-38/h10-22,25-29,35,41,45-49,59H,6-9,23-24,30-34,36H2,1-5H3,(H,60,70)(H,61,72)(H,62,67)(H,63,73)(H,64,74)(H,65,71)(H,66,75)(H,68,69)(H,76,77,78)/t45-,46-,47-,48+,49-/m0/s1 | PDB
Reactome pathway
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PC cid
PC sid
UniChem
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| Article
| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro binding affinity against Cholecystokinin type B receptor in guinea pig brain membranes |
Bioorg Med Chem Lett 3: 851-854 (1993)
Article DOI: 10.1016/S0960-894X(00)80679-4
BindingDB Entry DOI: 10.7270/Q2J9669G |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50281675
((S)-3-{(S)-2-[(R)-2-(2-{(S)-2-[(S)-2-tert-Butoxyca...)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@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C51H68N8O14S/c1-6-8-18-38(56-48(66)40(59-50(68)72-51(3,4)5)27-33-21-23-35(24-22-33)73-74(69,70)71)45(63)54-31-43(60)55-41(28-34-30-53-37-20-14-13-17-36(34)37)49(67)57-39(19-9-7-2)47(65)58-42(29-44(61)62)46(64)52-26-25-32-15-11-10-12-16-32/h10-17,20-24,30,38-42,53H,6-9,18-19,25-29,31H2,1-5H3,(H,52,64)(H,54,63)(H,55,60)(H,56,66)(H,57,67)(H,58,65)(H,59,68)(H,61,62)(H,69,70,71)/t38-,39-,40-,41+,42-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
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| CHEMBL
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PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro binding affinity against Cholecystokinin type B receptor in guinea pig brain membranes |
Bioorg Med Chem Lett 3: 851-854 (1993)
Article DOI: 10.1016/S0960-894X(00)80679-4
BindingDB Entry DOI: 10.7270/Q2J9669G |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(RAT) | BDBM50281676
((S)-3-{(S)-2-[(R)-2-(2-{(S)-2-[(S)-2-tert-Butoxyca...)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@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N(C)CCc1ccccc1 Show InChI InChI=1S/C52H70N8O14S/c1-7-9-19-39(56-48(66)41(59-51(69)73-52(3,4)5)28-34-22-24-36(25-23-34)74-75(70,71)72)46(64)54-32-44(61)55-42(29-35-31-53-38-21-15-14-18-37(35)38)49(67)57-40(20-10-8-2)47(65)58-43(30-45(62)63)50(68)60(6)27-26-33-16-12-11-13-17-33/h11-18,21-25,31,39-43,53H,7-10,19-20,26-30,32H2,1-6H3,(H,54,64)(H,55,61)(H,56,66)(H,57,67)(H,58,65)(H,59,69)(H,62,63)(H,70,71,72)/t39-,40-,41-,42+,43-/m0/s1 | PDB
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PC sid
UniChem
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| Article
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro binding affinity against Cholecystokinin type B receptor of rat pancreatic acini |
Bioorg Med Chem Lett 3: 851-854 (1993)
Article DOI: 10.1016/S0960-894X(00)80679-4
BindingDB Entry DOI: 10.7270/Q2J9669G |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50281676
((S)-3-{(S)-2-[(R)-2-(2-{(S)-2-[(S)-2-tert-Butoxyca...)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@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N(C)CCc1ccccc1 Show InChI InChI=1S/C52H70N8O14S/c1-7-9-19-39(56-48(66)41(59-51(69)73-52(3,4)5)28-34-22-24-36(25-23-34)74-75(70,71)72)46(64)54-32-44(61)55-42(29-35-31-53-38-21-15-14-18-37(35)38)49(67)57-40(20-10-8-2)47(65)58-43(30-45(62)63)50(68)60(6)27-26-33-16-12-11-13-17-33/h11-18,21-25,31,39-43,53H,7-10,19-20,26-30,32H2,1-6H3,(H,54,64)(H,55,61)(H,56,66)(H,57,67)(H,58,65)(H,59,69)(H,62,63)(H,70,71,72)/t39-,40-,41-,42+,43-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
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AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro binding affinity against Cholecystokinin type B receptor in guinea pig brain membranes |
Bioorg Med Chem Lett 3: 851-854 (1993)
Article DOI: 10.1016/S0960-894X(00)80679-4
BindingDB Entry DOI: 10.7270/Q2J9669G |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(RAT) | BDBM50281670
((S)-3-{(S)-2-[(R)-2-(2-{(S)-2-[(S)-2-tert-Butoxyca...)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@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C57H72N8O14S/c1-6-8-23-44(62-54(72)46(65-56(74)78-57(3,4)5)30-36-26-28-40(29-27-36)79-80(75,76)77)51(69)60-35-49(66)61-47(31-39-33-58-43-25-17-16-22-41(39)43)55(73)63-45(24-9-7-2)53(71)64-48(32-50(67)68)52(70)59-34-42(37-18-12-10-13-19-37)38-20-14-11-15-21-38/h10-22,25-29,33,42,44-48,58H,6-9,23-24,30-32,34-35H2,1-5H3,(H,59,70)(H,60,69)(H,61,66)(H,62,72)(H,63,73)(H,64,71)(H,65,74)(H,67,68)(H,75,76,77)/t44-,45-,46-,47+,48-/m0/s1 | PDB
KEGG
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PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro binding affinity against Cholecystokinin type B receptor of rat pancreatic acini |
Bioorg Med Chem Lett 3: 851-854 (1993)
Article DOI: 10.1016/S0960-894X(00)80679-4
BindingDB Entry DOI: 10.7270/Q2J9669G |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(RAT) | BDBM50281674
((S)-N-(1-Benzyl-2-phenyl-ethyl)-3-{(S)-2-[(S)-2-(2...)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@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)NC(Cc1ccccc1)Cc1ccccc1 Show InChI InChI=1S/C58H74N8O14S/c1-6-8-23-45(63-55(73)47(66-57(75)79-58(3,4)5)32-39-26-28-42(29-27-39)80-81(76,77)78)52(70)60-36-50(67)62-48(33-40-35-59-44-25-17-16-22-43(40)44)56(74)64-46(24-9-7-2)53(71)65-49(34-51(68)69)54(72)61-41(30-37-18-12-10-13-19-37)31-38-20-14-11-15-21-38/h10-22,25-29,35,41,45-49,59H,6-9,23-24,30-34,36H2,1-5H3,(H,60,70)(H,61,72)(H,62,67)(H,63,73)(H,64,74)(H,65,71)(H,66,75)(H,68,69)(H,76,77,78)/t45-,46-,47-,48-,49-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
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AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 6.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro binding affinity against Cholecystokinin type B receptor of rat pancreatic acini |
Bioorg Med Chem Lett 3: 851-854 (1993)
Article DOI: 10.1016/S0960-894X(00)80679-4
BindingDB Entry DOI: 10.7270/Q2J9669G |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(RAT) | BDBM50281672
((S)-N-(1-Benzyl-2-phenyl-ethyl)-3-{(S)-2-[(R)-2-(2...)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@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)NC(Cc1ccccc1)Cc1ccccc1 Show InChI InChI=1S/C58H74N8O14S/c1-6-8-23-45(63-55(73)47(66-57(75)79-58(3,4)5)32-39-26-28-42(29-27-39)80-81(76,77)78)52(70)60-36-50(67)62-48(33-40-35-59-44-25-17-16-22-43(40)44)56(74)64-46(24-9-7-2)53(71)65-49(34-51(68)69)54(72)61-41(30-37-18-12-10-13-19-37)31-38-20-14-11-15-21-38/h10-22,25-29,35,41,45-49,59H,6-9,23-24,30-34,36H2,1-5H3,(H,60,70)(H,61,72)(H,62,67)(H,63,73)(H,64,74)(H,65,71)(H,66,75)(H,68,69)(H,76,77,78)/t45-,46-,47-,48+,49-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro binding affinity against Cholecystokinin type B receptor of rat pancreatic acini |
Bioorg Med Chem Lett 3: 851-854 (1993)
Article DOI: 10.1016/S0960-894X(00)80679-4
BindingDB Entry DOI: 10.7270/Q2J9669G |
More data for this
Ligand-Target Pair | |
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