Found 94 hits with Last Name = 'bernad' and Initial = 'n' 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-releasing peptide receptor
(RAT) | BDBM50005601
(CHEMBL2369819)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1C[C@@H](CN1C(=O)c1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccccc1)C(N)=O Show InChI InChI=1S/C58H76N14O10/c1-32(2)22-44(50(61)74)68-55(79)45(23-33(3)4)69-56(80)47(26-38-29-62-31-64-38)71-57(81)48-27-39(30-72(48)58(82)36-16-10-7-11-17-36)66-51(75)34(5)65-54(78)46(25-37-28-63-42-19-13-12-18-40(37)42)70-53(77)43(20-21-49(60)73)67-52(76)41(59)24-35-14-8-6-9-15-35/h6-19,28-29,31-34,39,41,43-48,63H,20-27,30,59H2,1-5H3,(H2,60,73)(H2,61,74)(H,62,64)(H,65,78)(H,66,75)(H,67,76)(H,68,79)(H,69,80)(H,70,77)(H,71,81)/t34-,39-,41+,43-,44-,45-,46-,47-,48-/m0/s1 | PDB
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PC cid
PC sid
UniChem
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Similars
| PubMed
| >0 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS-Universités Montpellier I & II
Curated by ChEMBL
| Assay Description
In vitro binding affinity against bombesin / GRP receptors on rat pancreatic acini. |
J Med Chem 43: 2356-61 (2000)
BindingDB Entry DOI: 10.7270/Q21J990K |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide receptor
(RAT) | BDBM50408923
(CHEMBL2114155)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CN1CC[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc2ccccc2)C1=O)C(N)=O Show InChI InChI=1S/C52H72N14O10/c1-28(2)19-39(45(55)69)63-50(74)40(20-29(3)4)64-51(75)42(23-33-25-56-27-58-33)60-44(68)26-66-18-17-38(52(66)76)62-46(70)30(5)59-49(73)41(22-32-24-57-36-14-10-9-13-34(32)36)65-48(72)37(15-16-43(54)67)61-47(71)35(53)21-31-11-7-6-8-12-31/h6-14,24-25,27-30,35,37-42,57H,15-23,26,53H2,1-5H3,(H2,54,67)(H2,55,69)(H,56,58)(H,59,73)(H,60,68)(H,61,71)(H,62,70)(H,63,74)(H,64,75)(H,65,72)/t30-,35+,37-,38+,39-,40-,41-,42-/m0/s1 | PDB
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PC cid
PC sid
UniChem
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| >0 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS-Universités Montpellier I & II
Curated by ChEMBL
| Assay Description
In vitro binding affinity against bombesin / GRP receptors on rat pancreatic acini. |
J Med Chem 43: 2356-61 (2000)
BindingDB Entry DOI: 10.7270/Q21J990K |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide receptor
(RAT) | BDBM50089280
(CHEMBL437655 | JMV 1535)Show SMILES CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)CN1CCCCC(NC(=O)C(C)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(CCC(N)=O)NC(=O)[C@H](N)Cc2ccccc2)C1=O)C(N)=O Show InChI InChI=1S/C54H76N14O10/c1-30(2)21-41(47(57)71)65-52(76)42(22-31(3)4)66-53(77)44(25-35-27-58-29-60-35)62-46(70)28-68-20-12-11-17-40(54(68)78)64-48(72)32(5)61-51(75)43(24-34-26-59-38-16-10-9-15-36(34)38)67-50(74)39(18-19-45(56)69)63-49(73)37(55)23-33-13-7-6-8-14-33/h6-10,13-16,26-27,29-32,37,39-44,59H,11-12,17-25,28,55H2,1-5H3,(H2,56,69)(H2,57,71)(H,58,60)(H,61,75)(H,62,70)(H,63,73)(H,64,72)(H,65,76)(H,66,77)(H,67,74)/t32?,37-,39?,40?,41?,42?,43?,44?/m1/s1 | PDB
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| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS-Universités Montpellier I & II
Curated by ChEMBL
| Assay Description
In vitro binding affinity against bombesin / GRP receptors on rat pancreatic acini. |
J Med Chem 43: 2356-61 (2000)
BindingDB Entry DOI: 10.7270/Q21J990K |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide receptor
(RAT) | BDBM50089284
(CHEMBL265856 | JMV 1803)Show SMILES CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)CN1CCCCC(NC(=O)C(C)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(CCC(N)=O)NC(=O)CCc2ccc(O)cc2)C1=O)C(N)=O Show InChI InChI=1S/C54H75N13O11/c1-30(2)22-41(48(56)72)64-52(76)42(23-31(3)4)65-53(77)44(25-35-27-57-29-59-35)62-47(71)28-67-21-9-8-12-40(54(67)78)63-49(73)32(5)60-51(75)43(24-34-26-58-38-11-7-6-10-37(34)38)66-50(74)39(18-19-45(55)69)61-46(70)20-15-33-13-16-36(68)17-14-33/h6-7,10-11,13-14,16-17,26-27,29-32,39-44,58,68H,8-9,12,15,18-25,28H2,1-5H3,(H2,55,69)(H2,56,72)(H,57,59)(H,60,75)(H,61,70)(H,62,71)(H,63,73)(H,64,76)(H,65,77)(H,66,74) | PDB
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| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS-Universités Montpellier I & II
Curated by ChEMBL
| Assay Description
In vitro binding affinity against bombesin / GRP receptors on rat pancreatic acini. |
J Med Chem 43: 2356-61 (2000)
BindingDB Entry DOI: 10.7270/Q21J990K |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide receptor
(RAT) | BDBM50089285
(CHEMBL415110 | JMV 1799)Show SMILES COC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)CN1CCCCC(NC(=O)C(C)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(CCC(N)=O)NC(=O)CCc2ccc(O)cc2)C1=O Show InChI InChI=1S/C49H65N11O11/c1-28(2)21-40(49(70)71-4)59-47(68)39(23-32-25-51-27-53-32)56-43(64)26-60-20-8-7-11-37(48(60)69)57-44(65)29(3)54-46(67)38(22-31-24-52-35-10-6-5-9-34(31)35)58-45(66)36(17-18-41(50)62)55-42(63)19-14-30-12-15-33(61)16-13-30/h5-6,9-10,12-13,15-16,24-25,27-29,36-40,52,61H,7-8,11,14,17-23,26H2,1-4H3,(H2,50,62)(H,51,53)(H,54,67)(H,55,63)(H,56,64)(H,57,65)(H,58,66)(H,59,68) | PDB
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| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS-Universités Montpellier I & II
Curated by ChEMBL
| Assay Description
In vitro binding affinity against bombesin / GRP receptors on rat pancreatic acini. |
J Med Chem 43: 2356-61 (2000)
BindingDB Entry DOI: 10.7270/Q21J990K |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide receptor
(RAT) | BDBM50089282
((D)Phe-Gln-Trp-Ala-Val-Gly-His-Leu-Leu-NH2 | CHEMB...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(N)=O Show InChI InChI=1S/C53H76N14O10/c1-28(2)19-39(46(56)70)64-51(75)40(20-29(3)4)65-52(76)42(23-34-25-57-27-60-34)62-44(69)26-59-53(77)45(30(5)6)67-47(71)31(7)61-50(74)41(22-33-24-58-37-16-12-11-15-35(33)37)66-49(73)38(17-18-43(55)68)63-48(72)36(54)21-32-13-9-8-10-14-32/h8-16,24-25,27-31,36,38-42,45,58H,17-23,26,54H2,1-7H3,(H2,55,68)(H2,56,70)(H,57,60)(H,59,77)(H,61,74)(H,62,69)(H,63,72)(H,64,75)(H,65,76)(H,66,73)(H,67,71)/t31-,36-,38-,39-,40-,41-,42-,45-/m0/s1 | PDB
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| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS-Universités Montpellier I & II
Curated by ChEMBL
| Assay Description
In vitro binding affinity against bombesin / GRP receptors on rat pancreatic acini. |
J Med Chem 43: 2356-61 (2000)
BindingDB Entry DOI: 10.7270/Q21J990K |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide receptor
(RAT) | BDBM50089281
(CHEMBL386480 | JMV 1802)Show SMILES CCCCC(O)[C@@H](CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)CN1CCCCC(NC(=O)C(C)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(CCC(N)=O)NC(=O)CCc2ccc(O)cc2)C1=O Show InChI InChI=1S/C52H73N11O10/c1-5-6-14-44(65)41(24-31(2)3)61-51(72)43(26-35-28-54-30-56-35)59-47(68)29-63-23-10-9-13-40(52(63)73)60-48(69)32(4)57-50(71)42(25-34-27-55-38-12-8-7-11-37(34)38)62-49(70)39(20-21-45(53)66)58-46(67)22-17-33-15-18-36(64)19-16-33/h7-8,11-12,15-16,18-19,27-28,30-32,39-44,55,64-65H,5-6,9-10,13-14,17,20-26,29H2,1-4H3,(H2,53,66)(H,54,56)(H,57,71)(H,58,67)(H,59,68)(H,60,69)(H,61,72)(H,62,70)/t32?,39?,40?,41-,42?,43?,44?/m1/s1 | PDB
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| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS-Universités Montpellier I & II
Curated by ChEMBL
| Assay Description
In vitro binding affinity against bombesin / GRP receptors on rat pancreatic acini. |
J Med Chem 43: 2356-61 (2000)
BindingDB Entry DOI: 10.7270/Q21J990K |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide receptor
(RAT) | BDBM50089291
(CHEMBL415021 | JMV 1813)Show SMILES COC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)CN1CCCCC(NC(=O)C(C)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(CCC(N)=O)NC(=O)[C@H](N)Cc2ccccc2)C1=O Show InChI InChI=1S/C49H66N12O10/c1-28(2)20-40(49(70)71-4)60-47(68)39(23-32-25-52-27-54-32)56-42(63)26-61-19-11-10-16-37(48(61)69)58-43(64)29(3)55-46(67)38(22-31-24-53-35-15-9-8-14-33(31)35)59-45(66)36(17-18-41(51)62)57-44(65)34(50)21-30-12-6-5-7-13-30/h5-9,12-15,24-25,27-29,34,36-40,53H,10-11,16-23,26,50H2,1-4H3,(H2,51,62)(H,52,54)(H,55,67)(H,56,63)(H,57,65)(H,58,64)(H,59,66)(H,60,68)/t29?,34-,36?,37?,38?,39?,40?/m1/s1 | PDB
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| 5.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS-Universités Montpellier I & II
Curated by ChEMBL
| Assay Description
In vitro binding affinity against bombesin / GRP receptors on rat pancreatic acini. |
J Med Chem 43: 2356-61 (2000)
BindingDB Entry DOI: 10.7270/Q21J990K |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide receptor
(RAT) | BDBM50089278
(CHEMBL411016 | JMV 1801)Show SMILES CCCCC(O)[C@@H](CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)CN1CCCCC(NC(=O)C(C)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(CCC(N)=O)NC(=O)[C@H](N)Cc2ccccc2)C1=O Show InChI InChI=1S/C52H74N12O9/c1-5-6-19-44(65)41(23-31(2)3)62-51(72)43(26-35-28-55-30-57-35)59-46(67)29-64-22-13-12-18-40(52(64)73)61-47(68)32(4)58-50(71)42(25-34-27-56-38-17-11-10-16-36(34)38)63-49(70)39(20-21-45(54)66)60-48(69)37(53)24-33-14-8-7-9-15-33/h7-11,14-17,27-28,30-32,37,39-44,56,65H,5-6,12-13,18-26,29,53H2,1-4H3,(H2,54,66)(H,55,57)(H,58,71)(H,59,67)(H,60,69)(H,61,68)(H,62,72)(H,63,70)/t32?,37-,39?,40?,41-,42?,43?,44?/m1/s1 | PDB
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| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS-Universités Montpellier I & II
Curated by ChEMBL
| Assay Description
In vitro binding affinity against bombesin / GRP receptors on rat pancreatic acini. |
J Med Chem 43: 2356-61 (2000)
BindingDB Entry DOI: 10.7270/Q21J990K |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide receptor
(RAT) | BDBM50089279
(CHEMBL406013 | JMV 1719)Show SMILES CC(C)C[C@@H](NC(=O)C(Cc1cnc[nH]1)NC(=O)CN1CCCCC(NC(=O)C(C)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(CCC(N)=O)NC(=O)CCc2ccc(O)cc2)C1=O)C(=O)NO Show InChI InChI=1S/C48H64N12O11/c1-27(2)20-37(47(69)59-71)57-46(68)39(22-31-24-50-26-52-31)55-42(64)25-60-19-7-6-10-36(48(60)70)56-43(65)28(3)53-45(67)38(21-30-23-51-34-9-5-4-8-33(30)34)58-44(66)35(16-17-40(49)62)54-41(63)18-13-29-11-14-32(61)15-12-29/h4-5,8-9,11-12,14-15,23-24,26-28,35-39,51,61,71H,6-7,10,13,16-22,25H2,1-3H3,(H2,49,62)(H,50,52)(H,53,67)(H,54,63)(H,55,64)(H,56,65)(H,57,68)(H,58,66)(H,59,69)/t28?,35?,36?,37-,38?,39?/m1/s1 | PDB
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| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS-Universités Montpellier I & II
Curated by ChEMBL
| Assay Description
In vitro binding affinity against bombesin / GRP receptors on rat pancreatic acini. |
J Med Chem 43: 2356-61 (2000)
BindingDB Entry DOI: 10.7270/Q21J990K |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide receptor
(RAT) | BDBM50089286
(CHEMBL407022 | JMV 1693)Show SMILES CC(C)C[C@@H](NC(=O)C(Cc1cnc[nH]1)NC(=O)CN1CCCCC(NC(=O)C(C)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(CCC(N)=O)NC(=O)[C@H](N)Cc2ccccc2)C1=O)C(=O)NO Show InChI InChI=1S/C48H65N13O10/c1-27(2)19-37(47(69)60-71)58-46(68)39(22-31-24-51-26-53-31)55-41(63)25-61-18-10-9-15-36(48(61)70)57-42(64)28(3)54-45(67)38(21-30-23-52-34-14-8-7-13-32(30)34)59-44(66)35(16-17-40(50)62)56-43(65)33(49)20-29-11-5-4-6-12-29/h4-8,11-14,23-24,26-28,33,35-39,52,71H,9-10,15-22,25,49H2,1-3H3,(H2,50,62)(H,51,53)(H,54,67)(H,55,63)(H,56,65)(H,57,64)(H,58,68)(H,59,66)(H,60,69)/t28?,33-,35?,36?,37-,38?,39?/m1/s1 | PDB
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| 127 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS-Universités Montpellier I & II
Curated by ChEMBL
| Assay Description
In vitro binding affinity against bombesin / GRP receptors on rat pancreatic acini. |
J Med Chem 43: 2356-61 (2000)
BindingDB Entry DOI: 10.7270/Q21J990K |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide receptor
(RAT) | BDBM50408922
(CHEMBL2115179)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CN1CC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc2ccccc2)C1=O)C(N)=O Show InChI InChI=1S/C52H72N14O10/c1-28(2)19-39(45(55)69)63-50(74)40(20-29(3)4)64-51(75)42(23-33-25-56-27-58-33)60-44(68)26-66-18-17-38(52(66)76)62-46(70)30(5)59-49(73)41(22-32-24-57-36-14-10-9-13-34(32)36)65-48(72)37(15-16-43(54)67)61-47(71)35(53)21-31-11-7-6-8-12-31/h6-14,24-25,27-30,35,37-42,57H,15-23,26,53H2,1-5H3,(H2,54,67)(H2,55,69)(H,56,58)(H,59,73)(H,60,68)(H,61,71)(H,62,70)(H,63,74)(H,64,75)(H,65,72)/t30-,35+,37-,38-,39-,40-,41-,42-/m0/s1 | PDB
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| 225 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS-Universités Montpellier I & II
Curated by ChEMBL
| Assay Description
In vitro binding affinity against bombesin / GRP receptors on rat pancreatic acini. |
J Med Chem 43: 2356-61 (2000)
BindingDB Entry DOI: 10.7270/Q21J990K |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide receptor
(RAT) | BDBM50089288
(Bombesin analogues | CHEMBL415022)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cccc(NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)Cc2ccccc2)c1)C(N)=O Show InChI InChI=1S/C53H69N13O9/c1-29(2)20-41(46(56)68)63-52(74)42(21-30(3)4)65-53(75)44(25-36-27-57-28-59-36)64-48(70)33-14-11-15-35(23-33)61-47(69)31(5)60-51(73)43(24-34-26-58-39-17-10-9-16-37(34)39)66-50(72)40(18-19-45(55)67)62-49(71)38(54)22-32-12-7-6-8-13-32/h6-17,23,26-31,38,40-44,58H,18-22,24-25,54H2,1-5H3,(H2,55,67)(H2,56,68)(H,57,59)(H,60,73)(H,61,69)(H,62,71)(H,63,74)(H,64,70)(H,65,75)(H,66,72)/t31-,38-,40-,41-,42-,43-,44-/m0/s1 | PDB
KEGG
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UniChem
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| 300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS-Universités Montpellier I & II
Curated by ChEMBL
| Assay Description
In vitro binding affinity against bombesin / GRP receptors on rat pancreatic acini. |
J Med Chem 43: 2356-61 (2000)
BindingDB Entry DOI: 10.7270/Q21J990K |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide receptor
(RAT) | BDBM50089292
(Bombesin analogues | CHEMBL439440)Show SMILES CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)CN1c2ccccc2C(=NC(NC(=O)C(C)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(CCC(N)=O)NC(=O)[C@H](N)Cc2ccccc2)C1=O)c1ccccc1)C(N)=O |c:36| Show InChI InChI=1S/C63H77N15O10/c1-35(2)26-47(55(66)81)73-61(86)48(27-36(3)4)74-62(87)50(30-41-32-67-34-69-41)71-53(80)33-78-51-23-15-13-21-43(51)54(39-18-10-7-11-19-39)76-56(63(78)88)77-57(82)37(5)70-60(85)49(29-40-31-68-45-22-14-12-20-42(40)45)75-59(84)46(24-25-52(65)79)72-58(83)44(64)28-38-16-8-6-9-17-38/h6-23,31-32,34-37,44,46-50,56,68H,24-30,33,64H2,1-5H3,(H2,65,79)(H2,66,81)(H,67,69)(H,70,85)(H,71,80)(H,72,83)(H,73,86)(H,74,87)(H,75,84)(H,77,82)/t37?,44-,46?,47?,48?,49?,50?,56?/m1/s1 | PDB
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PC sid
UniChem
| PubMed
| 500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS-Universités Montpellier I & II
Curated by ChEMBL
| Assay Description
In vitro binding affinity against bombesin / GRP receptors on rat pancreatic acini. |
J Med Chem 43: 2356-61 (2000)
BindingDB Entry DOI: 10.7270/Q21J990K |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide receptor
(RAT) | BDBM50089290
(Bombesin analogues | CHEMBL413938)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1ccccc1NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)Cc1ccccc1)C(N)=O Show InChI InChI=1S/C53H69N13O9/c1-29(2)21-41(46(56)68)63-52(74)42(22-30(3)4)65-53(75)44(25-34-27-57-28-59-34)64-48(70)36-16-10-12-18-39(36)61-47(69)31(5)60-51(73)43(24-33-26-58-38-17-11-9-15-35(33)38)66-50(72)40(19-20-45(55)67)62-49(71)37(54)23-32-13-7-6-8-14-32/h6-18,26-31,37,40-44,58H,19-25,54H2,1-5H3,(H2,55,67)(H2,56,68)(H,57,59)(H,60,73)(H,61,69)(H,62,71)(H,63,74)(H,64,70)(H,65,75)(H,66,72)/t31-,37-,40-,41-,42-,43-,44-/m0/s1 | PDB
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| 650 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS-Universités Montpellier I & II
Curated by ChEMBL
| Assay Description
In vitro binding affinity against bombesin / GRP receptors on rat pancreatic acini. |
J Med Chem 43: 2356-61 (2000)
BindingDB Entry DOI: 10.7270/Q21J990K |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide receptor
(RAT) | BDBM50089293
(Bombesin analogues | CHEMBL407481)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1ccc(NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)Cc2ccccc2)cc1)C(N)=O Show InChI InChI=1S/C53H69N13O9/c1-29(2)21-41(46(56)68)63-52(74)42(22-30(3)4)65-53(75)44(25-36-27-57-28-59-36)64-48(70)33-15-17-35(18-16-33)61-47(69)31(5)60-51(73)43(24-34-26-58-39-14-10-9-13-37(34)39)66-50(72)40(19-20-45(55)67)62-49(71)38(54)23-32-11-7-6-8-12-32/h6-18,26-31,38,40-44,58H,19-25,54H2,1-5H3,(H2,55,67)(H2,56,68)(H,57,59)(H,60,73)(H,61,69)(H,62,71)(H,63,74)(H,64,70)(H,65,75)(H,66,72)/t31-,38-,40-,41-,42-,43-,44-/m0/s1 | PDB
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| 2.25E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS-Universités Montpellier I & II
Curated by ChEMBL
| Assay Description
In vitro binding affinity against bombesin / GRP receptors on rat pancreatic acini. |
J Med Chem 43: 2356-61 (2000)
BindingDB Entry DOI: 10.7270/Q21J990K |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide receptor
(RAT) | BDBM50089289
(Bombesin analogues | CHEMBL384241)Show SMILES CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)N1CC[C@H](NC(=O)C(C)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(CCC(N)=O)NC(=O)[C@H](N)Cc2ccccc2)C1=O)C(N)=O Show InChI InChI=1S/C59H78N14O10/c1-33(2)24-45(51(62)75)69-56(80)46(25-34(3)4)70-57(81)48(29-39-31-63-32-65-39)72-58(82)49(27-37-16-10-7-11-17-37)73-23-22-44(59(73)83)68-52(76)35(5)66-55(79)47(28-38-30-64-42-19-13-12-18-40(38)42)71-54(78)43(20-21-50(61)74)67-53(77)41(60)26-36-14-8-6-9-15-36/h6-19,30-35,41,43-49,64H,20-29,60H2,1-5H3,(H2,61,74)(H2,62,75)(H,63,65)(H,66,79)(H,67,77)(H,68,76)(H,69,80)(H,70,81)(H,71,78)(H,72,82)/t35?,41-,43?,44+,45?,46?,47?,48?,49+/m1/s1 | PDB
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| >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS-Universités Montpellier I & II
Curated by ChEMBL
| Assay Description
In vitro binding affinity against bombesin / GRP receptors on rat pancreatic acini. |
J Med Chem 43: 2356-61 (2000)
BindingDB Entry DOI: 10.7270/Q21J990K |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide receptor
(RAT) | BDBM50089287
(Bombesin analogues | CHEMBL384242)Show SMILES CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)Cn1c2ccccc2c(=O)n(CCNC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(CCC(N)=O)NC(=O)[C@H](N)Cc2ccccc2)c1=O)C(N)=O Show InChI InChI=1S/C55H70N14O10/c1-31(2)22-41(48(58)72)65-52(76)42(23-32(3)4)66-53(77)44(26-35-28-59-30-62-35)63-47(71)29-69-45-17-11-9-15-37(45)54(78)68(55(69)79)21-20-60-50(74)43(25-34-27-61-39-16-10-8-14-36(34)39)67-51(75)40(18-19-46(57)70)64-49(73)38(56)24-33-12-6-5-7-13-33/h5-17,27-28,30-32,38,40-44,61H,18-26,29,56H2,1-4H3,(H2,57,70)(H2,58,72)(H,59,62)(H,60,74)(H,63,71)(H,64,73)(H,65,76)(H,66,77)(H,67,75)/t38-,40?,41?,42?,43?,44?/m1/s1 | PDB
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| >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS-Universités Montpellier I & II
Curated by ChEMBL
| Assay Description
In vitro binding affinity against bombesin / GRP receptors on rat pancreatic acini. |
J Med Chem 43: 2356-61 (2000)
BindingDB Entry DOI: 10.7270/Q21J990K |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50451028
(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 |wD:29.34,1.0,TLB:18:19:23:16.17.22,15:16:23:19.25.20,THB:18:17:23:19.25.20,20:19:16:21.23.22,20:21:16:19.18.25,(7.6,-.86,;7.7,-2.9,;7.7,-4.44,;6.91,-5.77,;7.73,-7.1,;6.7,-8.26,;5.28,-7.66,;3.9,-8.29,;2.62,-7.43,;2.76,-5.89,;4.18,-5.23,;5.41,-6.12,;6.37,-2.13,;5.02,-2.9,;5.02,-4.44,;3.69,-2.12,;2.36,-2.89,;2.36,-4.43,;1.57,-5.75,;.24,-4.98,;-1.39,-5.51,;-.3,-4.43,;1.03,-5.19,;-.3,-2.89,;1.03,-2.11,;.26,-3.44,;9.03,-2.13,;9.03,-.59,;10.36,-2.9,;11.7,-2.12,;11.7,-.58,;13.03,.19,;14.52,.6,;13.03,1.73,;13.03,-2.89,;14.37,-2.12,;15.7,-2.89,;17.03,-2.12,;17.03,-.58,;18.36,.2,;15.68,.19,;14.35,-.59,)| 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 | PDB
Reactome pathway
KEGG
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| n/a | n/a | 0.0830 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2NC61RV |
More data for this
Ligand-Target Pair | |
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
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| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
EP CNRS 51
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-BH-CCK- binding to cholecystokinin type B receptor from jurkat Tcells |
J Med Chem 36: 3021-8 (1993)
BindingDB Entry DOI: 10.7270/Q2PZ57VG |
More data for this
Ligand-Target Pair | |
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
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UniChem
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| n/a | n/a | 0.290 | n/a | n/a | n/a | n/a | n/a | n/a |
EP CNRS 51
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-BH-CCK- binding to cholecystokinin type B receptor from guinea pig brain membranes |
J Med Chem 36: 3021-8 (1993)
BindingDB Entry DOI: 10.7270/Q2PZ57VG |
More data for this
Ligand-Target Pair | |
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
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PC sid
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| 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 | |
Pancreatic alpha-amylase
(Homo sapiens (Human)) | BDBM50033631
(2-{2-[2-(2-{2-[2-tert-Butoxycarbonylamino-3-(4-sul...)Show SMILES CCCC[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)OCCc1ccccc1 Show InChI InChI=1S/C50H65N7O14S2/c1-6-7-16-37(45(62)56-41(28-43(59)60)48(65)70-24-22-31-13-9-8-10-14-31)54-47(64)40(27-33-29-51-36-17-12-11-15-35(33)36)53-42(58)30-52-44(61)38(23-25-72-5)55-46(63)39(57-49(66)71-50(2,3)4)26-32-18-20-34(21-19-32)73(67,68)69/h8-15,17-21,29,37-41,51H,6-7,16,22-28,30H2,1-5H3,(H,52,61)(H,53,58)(H,54,64)(H,55,63)(H,56,62)(H,57,66)(H,59,60)(H,67,68,69)/t37-,38-,39-,40+,41-/m0/s1 | PDB
KEGG
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| CHEMBL
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| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
EP CNRS 51
Curated by ChEMBL
| Assay Description
Tested in vitro for inhibition of amylase release from rat pancreatic acini |
J Med Chem 36: 3021-8 (1993)
BindingDB Entry DOI: 10.7270/Q2PZ57VG |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM21147
((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 | PDB
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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)
BindingDB Entry DOI: 10.7270/Q2NC61RV |
More data for this
Ligand-Target Pair | |
Pancreatic alpha-amylase
(Homo sapiens (Human)) | BDBM50033632
(3-{2-[2-(2-{2-[2-tert-Butoxycarbonylamino-3-(4-sul...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)NC(CCCCc1ccccc1)CC(O)=O Show InChI InChI=1S/C52H71N7O12S/c1-6-8-22-41(57-49(65)43(59-51(67)71-52(3,4)5)29-35-25-27-38(28-26-35)72(68,69)70)47(63)54-33-45(60)56-44(30-36-32-53-40-24-16-15-21-39(36)40)50(66)58-42(23-9-7-2)48(64)55-37(31-46(61)62)20-14-13-19-34-17-11-10-12-18-34/h10-12,15-18,21,24-28,32,37,41-44,53H,6-9,13-14,19-20,22-23,29-31,33H2,1-5H3,(H,54,63)(H,55,64)(H,56,60)(H,57,65)(H,58,66)(H,59,67)(H,61,62)(H,68,69,70)/t37?,41-,42-,43-,44+/m0/s1 | PDB
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EP CNRS 51
Curated by ChEMBL
| Assay Description
Tested in vitro for inhibition of amylase release from rat pancreatic acini |
J Med Chem 36: 3021-8 (1993)
BindingDB Entry DOI: 10.7270/Q2PZ57VG |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(RAT) | BDBM21147
((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 | PDB
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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)
BindingDB Entry DOI: 10.7270/Q2NC61RV |
More data for this
Ligand-Target Pair | |
Pancreatic alpha-amylase
(Homo sapiens (Human)) | BDBM50033636
(3-{2-[2-(2-{2-[2-tert-Butoxycarbonylamino-3-(4-sul...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)NC(CCCOc1ccccc1)CC(O)=O Show InChI InChI=1S/C51H69N7O13S/c1-6-8-20-40(56-48(64)42(58-50(66)71-51(3,4)5)28-33-23-25-37(26-24-33)72(67,68)69)46(62)53-32-44(59)55-43(29-34-31-52-39-22-14-13-19-38(34)39)49(65)57-41(21-9-7-2)47(63)54-35(30-45(60)61)16-15-27-70-36-17-11-10-12-18-36/h10-14,17-19,22-26,31,35,40-43,52H,6-9,15-16,20-21,27-30,32H2,1-5H3,(H,53,62)(H,54,63)(H,55,59)(H,56,64)(H,57,65)(H,58,66)(H,60,61)(H,67,68,69)/t35?,40-,41-,42-,43+/m0/s1 | PDB
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EP CNRS 51
Curated by ChEMBL
| Assay Description
Tested in vitro for inhibition of amylase release from rat pancreatic acini |
J Med Chem 36: 3021-8 (1993)
BindingDB Entry DOI: 10.7270/Q2PZ57VG |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(RAT) | BDBM50366632
(PD-170292)Show SMILES Cc1ccccc1NC(=O)NCCCC[C@@H](CC(O)=O)NC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3 |wU:23.37,wD:15.20,23.24,TLB:45:40:48:44.46.43,45:44:39.40.41:48,THB:43:44:39:42.41.48,43:42:39:44.45.46,38:39:48:44.46.43,(23.16,-12.59,;23.12,-11.05,;24.42,-10.25,;24.39,-8.71,;23.02,-7.97,;21.72,-8.78,;21.76,-10.32,;20.46,-11.12,;19.1,-10.39,;19.06,-8.85,;17.79,-11.19,;16.41,-10.5,;15.13,-11.35,;13.73,-10.67,;12.45,-11.52,;11.07,-10.83,;10.98,-9.3,;12.26,-8.43,;12.17,-6.89,;13.66,-9.13,;9.79,-11.68,;8.41,-11,;8.32,-9.46,;7.13,-11.84,;7.13,-10.3,;7.13,-13.64,;8.67,-14.53,;8.15,-15.99,;9.37,-16.93,;10.64,-16.04,;12.12,-16.42,;13.2,-15.31,;12.75,-13.83,;11.27,-13.48,;10.21,-14.57,;5.75,-11.17,;4.47,-12.01,;4.56,-13.55,;3.09,-11.33,;1.81,-12.17,;.4,-11.6,;-.63,-12.84,;-.62,-14.41,;-2.12,-14.83,;-.93,-13.56,;-.93,-12.08,;.4,-14.05,;1.8,-13.71,;.78,-14.99,)| 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 | PDB
Reactome pathway
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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)
BindingDB Entry DOI: 10.7270/Q2NC61RV |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50033640
(2-{2-[2-(2-{2-[2-tert-Butoxycarbonylamino-3-(4-sul...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)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)OCCc1ccccc1 Show InChI InChI=1S/C51H67N7O14S/c1-6-8-18-38(55-47(64)40(58-50(67)72-51(3,4)5)27-33-21-23-35(24-22-33)73(68,69)70)45(62)53-31-43(59)54-41(28-34-30-52-37-20-14-13-17-36(34)37)48(65)56-39(19-9-7-2)46(63)57-42(29-44(60)61)49(66)71-26-25-32-15-11-10-12-16-32/h10-17,20-24,30,38-42,52H,6-9,18-19,25-29,31H2,1-5H3,(H,53,62)(H,54,59)(H,55,64)(H,56,65)(H,57,63)(H,58,67)(H,60,61)(H,68,69,70)/t38-,39-,40-,41-,42-/m0/s1 | PDB
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EP CNRS 51
Curated by ChEMBL
| Assay Description
Tested in vitro for inhibition of amylase release from rat pancreatic acini |
J Med Chem 36: 3021-8 (1993)
BindingDB Entry DOI: 10.7270/Q2PZ57VG |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50033640
(2-{2-[2-(2-{2-[2-tert-Butoxycarbonylamino-3-(4-sul...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)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)OCCc1ccccc1 Show InChI InChI=1S/C51H67N7O14S/c1-6-8-18-38(55-47(64)40(58-50(67)72-51(3,4)5)27-33-21-23-35(24-22-33)73(68,69)70)45(62)53-31-43(59)54-41(28-34-30-52-37-20-14-13-17-36(34)37)48(65)56-39(19-9-7-2)46(63)57-42(29-44(60)61)49(66)71-26-25-32-15-11-10-12-16-32/h10-17,20-24,30,38-42,52H,6-9,18-19,25-29,31H2,1-5H3,(H,53,62)(H,54,59)(H,55,64)(H,56,65)(H,57,63)(H,58,67)(H,60,61)(H,68,69,70)/t38-,39-,40-,41-,42-/m0/s1 | PDB
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EP CNRS 51
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-BH-CCK- binding to cholecystokinin type B receptor from jurkat Tcells |
J Med Chem 36: 3021-8 (1993)
BindingDB Entry DOI: 10.7270/Q2PZ57VG |
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
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| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
EP CNRS 51
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-BH-CCK- binding to peripheral cholecystokinin type B receptor from rat pancreatic acini |
J Med Chem 36: 3021-8 (1993)
BindingDB Entry DOI: 10.7270/Q2PZ57VG |
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
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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) | BDBM50033640
(2-{2-[2-(2-{2-[2-tert-Butoxycarbonylamino-3-(4-sul...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)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)OCCc1ccccc1 Show InChI InChI=1S/C51H67N7O14S/c1-6-8-18-38(55-47(64)40(58-50(67)72-51(3,4)5)27-33-21-23-35(24-22-33)73(68,69)70)45(62)53-31-43(59)54-41(28-34-30-52-37-20-14-13-17-36(34)37)48(65)56-39(19-9-7-2)46(63)57-42(29-44(60)61)49(66)71-26-25-32-15-11-10-12-16-32/h10-17,20-24,30,38-42,52H,6-9,18-19,25-29,31H2,1-5H3,(H,53,62)(H,54,59)(H,55,64)(H,56,65)(H,57,63)(H,58,67)(H,60,61)(H,68,69,70)/t38-,39-,40-,41-,42-/m0/s1 | PDB
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EP CNRS 51
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-BH-CCK- binding to peripheral cholecystokinin type B receptor from rat pancreatic acini |
J Med Chem 36: 3021-8 (1993)
BindingDB Entry DOI: 10.7270/Q2PZ57VG |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50366632
(PD-170292)Show SMILES Cc1ccccc1NC(=O)NCCCC[C@@H](CC(O)=O)NC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3 |wU:23.37,wD:15.20,23.24,TLB:45:40:48:44.46.43,45:44:39.40.41:48,THB:43:44:39:42.41.48,43:42:39:44.45.46,38:39:48:44.46.43,(23.16,-12.59,;23.12,-11.05,;24.42,-10.25,;24.39,-8.71,;23.02,-7.97,;21.72,-8.78,;21.76,-10.32,;20.46,-11.12,;19.1,-10.39,;19.06,-8.85,;17.79,-11.19,;16.41,-10.5,;15.13,-11.35,;13.73,-10.67,;12.45,-11.52,;11.07,-10.83,;10.98,-9.3,;12.26,-8.43,;12.17,-6.89,;13.66,-9.13,;9.79,-11.68,;8.41,-11,;8.32,-9.46,;7.13,-11.84,;7.13,-10.3,;7.13,-13.64,;8.67,-14.53,;8.15,-15.99,;9.37,-16.93,;10.64,-16.04,;12.12,-16.42,;13.2,-15.31,;12.75,-13.83,;11.27,-13.48,;10.21,-14.57,;5.75,-11.17,;4.47,-12.01,;4.56,-13.55,;3.09,-11.33,;1.81,-12.17,;.4,-11.6,;-.63,-12.84,;-.62,-14.41,;-2.12,-14.83,;-.93,-13.56,;-.93,-12.08,;.4,-14.05,;1.8,-13.71,;.78,-14.99,)| 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 | PDB
Reactome pathway
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| n/a | n/a | 6.70 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2NC61RV |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50033631
(2-{2-[2-(2-{2-[2-tert-Butoxycarbonylamino-3-(4-sul...)Show SMILES CCCC[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)OCCc1ccccc1 Show InChI InChI=1S/C50H65N7O14S2/c1-6-7-16-37(45(62)56-41(28-43(59)60)48(65)70-24-22-31-13-9-8-10-14-31)54-47(64)40(27-33-29-51-36-17-12-11-15-35(33)36)53-42(58)30-52-44(61)38(23-25-72-5)55-46(63)39(57-49(66)71-50(2,3)4)26-32-18-20-34(21-19-32)73(67,68)69/h8-15,17-21,29,37-41,51H,6-7,16,22-28,30H2,1-5H3,(H,52,61)(H,53,58)(H,54,64)(H,55,63)(H,56,62)(H,57,66)(H,59,60)(H,67,68,69)/t37-,38-,39-,40+,41-/m0/s1 | PDB
Reactome pathway
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| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
EP CNRS 51
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-BH-CCK- binding to cholecystokinin type B receptor from guinea pig brain membranes |
J Med Chem 36: 3021-8 (1993)
BindingDB Entry DOI: 10.7270/Q2PZ57VG |
More data for this
Ligand-Target Pair | |
Pancreatic alpha-amylase
(Homo sapiens (Human)) | BDBM50033636
(3-{2-[2-(2-{2-[2-tert-Butoxycarbonylamino-3-(4-sul...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)NC(CCCOc1ccccc1)CC(O)=O Show InChI InChI=1S/C51H69N7O13S/c1-6-8-20-40(56-48(64)42(58-50(66)71-51(3,4)5)28-33-23-25-37(26-24-33)72(67,68)69)46(62)53-32-44(59)55-43(29-34-31-52-39-22-14-13-19-38(34)39)49(65)57-41(21-9-7-2)47(63)54-35(30-45(60)61)16-15-27-70-36-17-11-10-12-18-36/h10-14,17-19,22-26,31,35,40-43,52H,6-9,15-16,20-21,27-30,32H2,1-5H3,(H,53,62)(H,54,63)(H,55,59)(H,56,64)(H,57,65)(H,58,66)(H,60,61)(H,67,68,69)/t35?,40-,41-,42-,43+/m0/s1 | PDB
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| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
EP CNRS 51
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-BH-CCK- binding to cholecystokinin type B receptor from jurkat Tcells |
J Med Chem 36: 3021-8 (1993)
BindingDB Entry DOI: 10.7270/Q2PZ57VG |
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
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| 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)) | BDBM50033629
(3-{2-[2-(2-{2-[2-tert-Butoxycarbonylamino-3-(4-sul...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)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/C51H68N8O13S/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(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
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EP CNRS 51
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-BH-CCK- binding to peripheral cholecystokinin type B receptor from rat pancreatic acini |
J Med Chem 36: 3021-8 (1993)
BindingDB Entry DOI: 10.7270/Q2PZ57VG |
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
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| 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
(RAT) | BDBM50033633
(3-{2-[2-(2-{2-[2-tert-Butoxycarbonylamino-3-(4-sul...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)NC(CCCCc1ccccc1)CC(O)=O Show InChI InChI=1S/C52H71N7O12S/c1-6-8-22-41(57-49(65)43(59-51(67)71-52(3,4)5)29-35-25-27-38(28-26-35)72(68,69)70)47(63)54-33-45(60)56-44(30-36-32-53-40-24-16-15-21-39(36)40)50(66)58-42(23-9-7-2)48(64)55-37(31-46(61)62)20-14-13-19-34-17-11-10-12-18-34/h10-12,15-18,21,24-28,32,37,41-44,53H,6-9,13-14,19-20,22-23,29-31,33H2,1-5H3,(H,54,63)(H,55,64)(H,56,60)(H,57,65)(H,58,66)(H,59,67)(H,61,62)(H,68,69,70)/t37?,41-,42-,43-,44-/m0/s1 | PDB
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EP CNRS 51
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-BH-CCK- binding to peripheral cholecystokinin type B receptor from rat pancreatic acini |
J Med Chem 36: 3021-8 (1993)
BindingDB Entry DOI: 10.7270/Q2PZ57VG |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50033629
(3-{2-[2-(2-{2-[2-tert-Butoxycarbonylamino-3-(4-sul...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)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/C51H68N8O13S/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(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
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| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
EP CNRS 51
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-BH-CCK- binding to cholecystokinin type B receptor from jurkat Tcells |
J Med Chem 36: 3021-8 (1993)
BindingDB Entry DOI: 10.7270/Q2PZ57VG |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(RAT) | BDBM50033634
(3-{2-[2-(2-{2-[2-tert-Butoxycarbonylamino-3-(4-sul...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)NC(CCCOc1ccccc1)CC(O)=O Show InChI InChI=1S/C51H69N7O13S/c1-6-8-20-40(56-48(64)42(58-50(66)71-51(3,4)5)28-33-23-25-37(26-24-33)72(67,68)69)46(62)53-32-44(59)55-43(29-34-31-52-39-22-14-13-19-38(34)39)49(65)57-41(21-9-7-2)47(63)54-35(30-45(60)61)16-15-27-70-36-17-11-10-12-18-36/h10-14,17-19,22-26,31,35,40-43,52H,6-9,15-16,20-21,27-30,32H2,1-5H3,(H,53,62)(H,54,63)(H,55,59)(H,56,64)(H,57,65)(H,58,66)(H,60,61)(H,67,68,69)/t35?,40-,41-,42-,43-/m0/s1 | PDB
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EP CNRS 51
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-BH-CCK- binding to cholecystokinin type B receptor from jurkat Tcells |
J Med Chem 36: 3021-8 (1993)
BindingDB Entry DOI: 10.7270/Q2PZ57VG |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(RAT) | BDBM50033632
(3-{2-[2-(2-{2-[2-tert-Butoxycarbonylamino-3-(4-sul...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)NC(CCCCc1ccccc1)CC(O)=O Show InChI InChI=1S/C52H71N7O12S/c1-6-8-22-41(57-49(65)43(59-51(67)71-52(3,4)5)29-35-25-27-38(28-26-35)72(68,69)70)47(63)54-33-45(60)56-44(30-36-32-53-40-24-16-15-21-39(36)40)50(66)58-42(23-9-7-2)48(64)55-37(31-46(61)62)20-14-13-19-34-17-11-10-12-18-34/h10-12,15-18,21,24-28,32,37,41-44,53H,6-9,13-14,19-20,22-23,29-31,33H2,1-5H3,(H,54,63)(H,55,64)(H,56,60)(H,57,65)(H,58,66)(H,59,67)(H,61,62)(H,68,69,70)/t37?,41-,42-,43-,44+/m0/s1 | PDB
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EP CNRS 51
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-BH-CCK- binding to cholecystokinin type B receptor from jurkat Tcells |
J Med Chem 36: 3021-8 (1993)
BindingDB Entry DOI: 10.7270/Q2PZ57VG |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(RAT) | BDBM50033633
(3-{2-[2-(2-{2-[2-tert-Butoxycarbonylamino-3-(4-sul...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)NC(CCCCc1ccccc1)CC(O)=O Show InChI InChI=1S/C52H71N7O12S/c1-6-8-22-41(57-49(65)43(59-51(67)71-52(3,4)5)29-35-25-27-38(28-26-35)72(68,69)70)47(63)54-33-45(60)56-44(30-36-32-53-40-24-16-15-21-39(36)40)50(66)58-42(23-9-7-2)48(64)55-37(31-46(61)62)20-14-13-19-34-17-11-10-12-18-34/h10-12,15-18,21,24-28,32,37,41-44,53H,6-9,13-14,19-20,22-23,29-31,33H2,1-5H3,(H,54,63)(H,55,64)(H,56,60)(H,57,65)(H,58,66)(H,59,67)(H,61,62)(H,68,69,70)/t37?,41-,42-,43-,44-/m0/s1 | PDB
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EP CNRS 51
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-BH-CCK- binding to cholecystokinin type B receptor from guinea pig brain membranes |
J Med Chem 36: 3021-8 (1993)
BindingDB Entry DOI: 10.7270/Q2PZ57VG |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(RAT) | BDBM50033634
(3-{2-[2-(2-{2-[2-tert-Butoxycarbonylamino-3-(4-sul...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)NC(CCCOc1ccccc1)CC(O)=O Show InChI InChI=1S/C51H69N7O13S/c1-6-8-20-40(56-48(64)42(58-50(66)71-51(3,4)5)28-33-23-25-37(26-24-33)72(67,68)69)46(62)53-32-44(59)55-43(29-34-31-52-39-22-14-13-19-38(34)39)49(65)57-41(21-9-7-2)47(63)54-35(30-45(60)61)16-15-27-70-36-17-11-10-12-18-36/h10-14,17-19,22-26,31,35,40-43,52H,6-9,15-16,20-21,27-30,32H2,1-5H3,(H,53,62)(H,54,63)(H,55,59)(H,56,64)(H,57,65)(H,58,66)(H,60,61)(H,67,68,69)/t35?,40-,41-,42-,43-/m0/s1 | PDB
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EP CNRS 51
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-BH-CCK- binding to peripheral cholecystokinin type B receptor from rat pancreatic acini |
J Med Chem 36: 3021-8 (1993)
BindingDB Entry DOI: 10.7270/Q2PZ57VG |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(RAT) | BDBM50033636
(3-{2-[2-(2-{2-[2-tert-Butoxycarbonylamino-3-(4-sul...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)NC(CCCOc1ccccc1)CC(O)=O Show InChI InChI=1S/C51H69N7O13S/c1-6-8-20-40(56-48(64)42(58-50(66)71-51(3,4)5)28-33-23-25-37(26-24-33)72(67,68)69)46(62)53-32-44(59)55-43(29-34-31-52-39-22-14-13-19-38(34)39)49(65)57-41(21-9-7-2)47(63)54-35(30-45(60)61)16-15-27-70-36-17-11-10-12-18-36/h10-14,17-19,22-26,31,35,40-43,52H,6-9,15-16,20-21,27-30,32H2,1-5H3,(H,53,62)(H,54,63)(H,55,59)(H,56,64)(H,57,65)(H,58,66)(H,60,61)(H,67,68,69)/t35?,40-,41-,42-,43+/m0/s1 | PDB
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EP CNRS 51
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-BH-CCK- binding to cholecystokinin type B receptor from guinea pig brain membranes |
J Med Chem 36: 3021-8 (1993)
BindingDB Entry DOI: 10.7270/Q2PZ57VG |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(RAT) | BDBM50033632
(3-{2-[2-(2-{2-[2-tert-Butoxycarbonylamino-3-(4-sul...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)NC(CCCCc1ccccc1)CC(O)=O Show InChI InChI=1S/C52H71N7O12S/c1-6-8-22-41(57-49(65)43(59-51(67)71-52(3,4)5)29-35-25-27-38(28-26-35)72(68,69)70)47(63)54-33-45(60)56-44(30-36-32-53-40-24-16-15-21-39(36)40)50(66)58-42(23-9-7-2)48(64)55-37(31-46(61)62)20-14-13-19-34-17-11-10-12-18-34/h10-12,15-18,21,24-28,32,37,41-44,53H,6-9,13-14,19-20,22-23,29-31,33H2,1-5H3,(H,54,63)(H,55,64)(H,56,60)(H,57,65)(H,58,66)(H,59,67)(H,61,62)(H,68,69,70)/t37?,41-,42-,43-,44+/m0/s1 | PDB
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EP CNRS 51
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-BH-CCK- binding to peripheral cholecystokinin type B receptor from rat pancreatic acini |
J Med Chem 36: 3021-8 (1993)
BindingDB Entry DOI: 10.7270/Q2PZ57VG |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(RAT) | BDBM50033629
(3-{2-[2-(2-{2-[2-tert-Butoxycarbonylamino-3-(4-sul...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)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/C51H68N8O13S/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(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
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EP CNRS 51
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-BH-CCK- binding to peripheral cholecystokinin type B receptor from rat pancreatic acini |
J Med Chem 36: 3021-8 (1993)
BindingDB Entry DOI: 10.7270/Q2PZ57VG |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50289879
(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 |wU:1.0,wD:1.13,TLB:22:17:25:21.23.20,22:21:16.17.18:25,THB:20:19:16:21.23.22,20:21:16:19.18.25,15:16:25:21.23.20,(5.32,1.29,;5.32,-.26,;5.74,-1.74,;5.33,-3.23,;4.22,-4.1,;4.45,-5.49,;5.76,-5.99,;5.97,-7.37,;7.27,-7.88,;8.37,-7,;8.14,-5.62,;6.85,-5.12,;3.98,-1.04,;2.65,-.29,;2.64,1.25,;1.32,-1.06,;-.02,-1.83,;-1.35,-1.06,;-1.92,-2.3,;-1.92,-4.71,;-3.5,-4.99,;-2.68,-3.37,;-2.68,-1.83,;-1.35,-4.15,;-.02,-3.37,;-.4,-5.17,;6.67,-1.01,;6.69,-2.56,;8,-.23,;9.34,-.99,;10.67,-.21,;12.02,-.97,;13.34,-.17,;14.67,-.94,;14.69,-2.49,;13.36,-3.27,;12.03,-2.51,)| 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 | PDB
Reactome pathway
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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)
BindingDB Entry DOI: 10.7270/Q2NC61RV |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50033633
(3-{2-[2-(2-{2-[2-tert-Butoxycarbonylamino-3-(4-sul...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)NC(CCCCc1ccccc1)CC(O)=O Show InChI InChI=1S/C52H71N7O12S/c1-6-8-22-41(57-49(65)43(59-51(67)71-52(3,4)5)29-35-25-27-38(28-26-35)72(68,69)70)47(63)54-33-45(60)56-44(30-36-32-53-40-24-16-15-21-39(36)40)50(66)58-42(23-9-7-2)48(64)55-37(31-46(61)62)20-14-13-19-34-17-11-10-12-18-34/h10-12,15-18,21,24-28,32,37,41-44,53H,6-9,13-14,19-20,22-23,29-31,33H2,1-5H3,(H,54,63)(H,55,64)(H,56,60)(H,57,65)(H,58,66)(H,59,67)(H,61,62)(H,68,69,70)/t37?,41-,42-,43-,44-/m0/s1 | PDB
Reactome pathway
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EP CNRS 51
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-BH-CCK- binding to cholecystokinin type B receptor from guinea pig brain membranes |
J Med Chem 36: 3021-8 (1993)
BindingDB Entry DOI: 10.7270/Q2PZ57VG |
More data for this
Ligand-Target Pair | |
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