Found 196 hits with Last Name = 'heitz' and Initial = 'a' 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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UniProtKB/SwissProt
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| CHEMBL
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PC cid
PC sid
UniChem
Patents
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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UniProtKB/SwissProt
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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) | 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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UniChem
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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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UniChem
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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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CHEMBL
PC cid
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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
UniProtKB/SwissProt
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 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
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
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
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 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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UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
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| PubMed
| 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) | 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
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| >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) | 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
KEGG
UniProtKB/SwissProt
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| CHEMBL
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PC sid
UniChem
Similars
| PubMed
| >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 | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM19331
(CHEMBL266063 | N-[(1R)-2-(1H-indol-3-yl)-1-{5-[2-(...)Show SMILES COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCNCC2)cc1 |r| Show InChI InChI=1S/C36H39N7O2/c1-45-28-13-10-24(11-14-28)23-43-34(15-12-26-21-38-31-8-4-2-6-29(26)31)41-42-35(43)33(40-36(44)25-16-18-37-19-17-25)20-27-22-39-32-9-5-3-7-30(27)32/h2-11,13-14,21-22,25,33,37-39H,12,15-20,23H2,1H3,(H,40,44)/t33-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
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| Article
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| n/a | n/a | 0.300 | n/a | 3 | n/a | n/a | n/a | n/a |
CNRS
| Assay Description
Specific binding was determined by incubation of membranes from GHS-R1a transfected LLC cells with 125I-His9-ghrelin in the presence of increasing co... |
J Med Chem 50: 5790-5806 (2007)
Article DOI: 10.1021/jm0704550
BindingDB Entry DOI: 10.7270/Q2HD7SZ4 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50366689
(GHRELIN)Show SMILES CCCCCCCC(=O)OC[C@H](NC(=O)CNC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(O)=O |r,wU:65.67,185.189,192.197,230.236,120.122,11.11,69.70,129.131,19.19,164.166,37.36,173.175,201.205,48.48,218.222,111.113,56.56,wD:106.109,196.201,31.30,140.142,78.79,149.151,158.160,88.90,97.99,210.214,(-10.37,-25.43,;-9.06,-26.25,;-7.69,-25.54,;-6.4,-26.34,;-5.04,-25.62,;-3.72,-26.44,;-2.37,-25.72,;-2.31,-24.18,;-3.63,-23.36,;-.95,-23.47,;-.89,-21.92,;.45,-21.2,;1.74,-22.05,;1.71,-23.59,;.35,-24.3,;3.02,-24.41,;2.96,-25.94,;4.26,-26.76,;5.62,-26.03,;4.21,-28.3,;5.52,-29.12,;2.86,-29.01,;1.55,-28.21,;.19,-28.92,;-1.13,-28.13,;-2.49,-28.84,;-2.56,-30.38,;-3.82,-28.04,;.51,-19.67,;1.87,-18.94,;-.8,-18.87,;-.72,-17.33,;.63,-16.62,;.68,-15.08,;-2.02,-16.52,;-3.39,-17.24,;-1.98,-14.98,;-3.28,-14.16,;-4.66,-14.88,;-5.95,-14.06,;-7.3,-14.78,;-8.59,-13.97,;-8.55,-12.43,;-7.19,-11.7,;-5.88,-12.51,;-3.24,-12.62,;-4.54,-11.8,;-1.88,-11.9,;-1.81,-10.36,;-3.12,-9.54,;-3.06,-8,;-4.37,-7.19,;-1.71,-7.28,;-.46,-9.64,;.85,-10.45,;-.4,-8.1,;.96,-7.38,;1.01,-5.83,;-.31,-5.04,;2.26,-8.19,;1.95,-9.69,;3.72,-7.72,;4.22,-6.25,;5.76,-6.25,;6.23,-7.71,;4.98,-8.61,;4.98,-10.16,;3.64,-10.92,;6.3,-10.95,;7.63,-10.18,;7.63,-8.64,;8.96,-7.87,;8.96,-6.33,;10.28,-5.58,;7.63,-5.56,;8.96,-10.94,;10.3,-10.18,;8.94,-12.48,;7.6,-13.24,;6.26,-12.47,;4.93,-13.24,;3.52,-12.6,;2.48,-13.74,;3.25,-15.07,;4.76,-14.77,;7.6,-14.78,;8.93,-15.55,;6.27,-15.55,;6.27,-17.09,;4.93,-17.86,;4.93,-19.4,;3.6,-20.17,;2.27,-19.41,;3.6,-21.71,;7.6,-17.86,;7.6,-19.4,;8.93,-17.09,;10.27,-17.85,;10.27,-19.39,;11.62,-20.16,;11.62,-21.7,;12.94,-22.47,;12.93,-24.02,;11.62,-17.08,;12.94,-17.85,;11.61,-15.54,;12.94,-14.77,;14.28,-15.54,;12.94,-13.23,;11.61,-12.47,;14.27,-12.46,;14.28,-10.92,;12.95,-10.16,;12.95,-8.61,;11.61,-7.85,;10.24,-8.64,;11.61,-6.3,;15.6,-10.16,;16.95,-10.92,;15.56,-8.62,;16.9,-7.85,;16.9,-6.31,;15.56,-5.54,;15.56,-4,;16.85,-3.26,;14.22,-3.23,;18.23,-8.62,;18.23,-10.16,;19.57,-7.86,;20.92,-8.59,;22.25,-7.82,;22.25,-6.28,;23.59,-5.51,;24.89,-6.32,;26.21,-5.53,;27.53,-6.34,;26.19,-4.02,;20.92,-10.13,;19.58,-10.9,;22.23,-10.94,;22.26,-12.48,;20.93,-13.26,;20.93,-14.79,;19.59,-15.57,;18.26,-14.79,;18.23,-13.29,;23.59,-13.26,;23.59,-14.79,;24.93,-12.49,;26.28,-13.23,;26.28,-14.77,;27.62,-15.54,;27.62,-17.08,;26.27,-17.86,;28.95,-17.85,;27.62,-12.46,;27.62,-10.93,;28.94,-13.24,;30.27,-12.46,;31.6,-13.23,;32.93,-12.48,;30.27,-10.92,;28.94,-10.16,;31.61,-10.16,;31.62,-8.62,;30.29,-7.85,;30.29,-6.31,;28.95,-5.54,;28.95,-4,;27.61,-3.24,;32.95,-7.85,;34.28,-8.62,;32.94,-6.31,;34.27,-5.54,;34.27,-4,;32.94,-3.23,;32.94,-1.69,;31.61,-.92,;31.59,.62,;35.61,-6.31,;35.61,-7.85,;36.94,-5.54,;37.1,-4.04,;38.62,-3.7,;39.39,-5.03,;38.39,-6.18,;38.7,-7.66,;37.62,-8.74,;40.19,-8.15,;41.43,-7.23,;42.69,-8.12,;42.22,-9.6,;40.68,-9.6,;39.89,-10.92,;38.34,-10.89,;40.63,-12.27,;39.83,-13.59,;38.29,-13.57,;40.58,-14.95,;42.12,-14.97,;39.78,-16.26,;40.53,-17.61,;42.07,-17.63,;42.87,-16.31,;44.4,-16.34,;45.15,-17.69,;46.68,-17.73,;39.73,-18.92,;40.48,-20.27,;38.19,-18.9,;37.4,-20.22,;35.86,-20.19,;35.07,-21.51,;33.53,-21.48,;35.82,-22.85,;38.15,-21.56,;39.69,-21.6,;37.36,-22.88,;38.1,-24.23,;39.65,-24.27,;40.39,-25.61,;41.93,-25.64,;42.66,-26.99,;42.72,-24.32,;37.3,-25.55,;35.77,-25.52,;38.03,-26.89,;39.64,-27.11,;39.85,-28.64,;38.55,-29.35,;37.45,-28.32,;35.9,-28.61,;35.48,-30.09,;34.83,-27.5,)| Show InChI InChI=1S/C147H245N45O42/c1-8-9-10-11-15-45-118(205)234-78-106(169-115(200)74-165-121(208)86(153)34-26-63-163-146(158)159)138(225)187-104(76-194)137(224)184-101(71-84-32-13-12-14-33-84)134(221)183-100(70-81(4)5)133(220)188-105(77-195)143(230)189-65-28-42-108(189)140(227)179-96(51-57-117(203)204)130(217)185-102(72-85-73-162-79-166-85)135(222)178-94(48-54-113(156)198)129(216)172-87(35-16-21-58-148)122(209)167-82(6)119(206)171-92(46-52-111(154)196)127(214)176-93(47-53-112(155)197)128(215)174-91(40-27-64-164-147(160)161)124(211)173-89(37-18-23-60-150)123(210)177-95(50-56-116(201)202)131(218)186-103(75-193)136(223)175-90(38-19-24-61-151)125(212)180-97(39-20-25-62-152)141(228)191-67-30-43-109(191)144(231)190-66-29-41-107(190)139(226)168-83(7)120(207)170-88(36-17-22-59-149)126(213)182-99(69-80(2)3)132(219)181-98(49-55-114(157)199)142(229)192-68-31-44-110(192)145(232)233/h12-14,32-33,73,79-83,86-110,193-195H,8-11,15-31,34-72,74-78,148-153H2,1-7H3,(H2,154,196)(H2,155,197)(H2,156,198)(H2,157,199)(H,162,166)(H,165,208)(H,167,209)(H,168,226)(H,169,200)(H,170,207)(H,171,206)(H,172,216)(H,173,211)(H,174,215)(H,175,223)(H,176,214)(H,177,210)(H,178,222)(H,179,227)(H,180,212)(H,181,219)(H,182,213)(H,183,221)(H,184,224)(H,185,217)(H,186,218)(H,187,225)(H,188,220)(H,201,202)(H,203,204)(H,232,233)(H4,158,159,163)(H4,160,161,164)/t82-,83-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.390 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Montpellier I et II
Curated by ChEMBL
| Assay Description
Binding affinity towards cloned human Growth hormone secretagogue receptor type I in LLC PK-1 cells using [125I][His9]-ghrelin as radioligand |
J Med Chem 46: 1191-203 (2003)
Article DOI: 10.1021/jm020985q
BindingDB Entry DOI: 10.7270/Q2HQ40NJ |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM19333
(N-[(1R)-1-{4-[(2,4-dimethoxyphenyl)methyl]-5-[2-(1...)Show SMILES COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCNCC2)c(OC)c1 |r| Show InChI InChI=1S/C37H41N7O3/c1-46-28-13-11-26(34(20-28)47-2)23-44-35(14-12-25-21-39-31-9-5-3-7-29(25)31)42-43-36(44)33(41-37(45)24-15-17-38-18-16-24)19-27-22-40-32-10-6-4-8-30(27)32/h3-11,13,20-22,24,33,38-40H,12,14-19,23H2,1-2H3,(H,41,45)/t33-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
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| PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 0.5 | n/a | 0.600 | n/a | n/a | n/a | n/a |
CNRS
| Assay Description
Specific binding was determined by incubation of membranes from GHS-R1a transfected LLC cells with 125I-His9-ghrelin in the presence of increasing co... |
J Med Chem 50: 5790-5806 (2007)
Article DOI: 10.1021/jm0704550
BindingDB Entry DOI: 10.7270/Q2HD7SZ4 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM19332
(N-[(1R)-2-(1H-indol-3-yl)-1-{4-[(4-methoxyphenyl)m...)Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCNCC2)cc1 |r| Show InChI InChI=1S/C34H38N6O2/c1-42-28-14-11-25(12-15-28)23-40-32(16-13-24-7-3-2-4-8-24)38-39-33(40)31(37-34(41)26-17-19-35-20-18-26)21-27-22-36-30-10-6-5-9-29(27)30/h2-12,14-15,22,26,31,35-36H,13,16-21,23H2,1H3,(H,37,41)/t31-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.600 | n/a | 1.60 | n/a | n/a | n/a | n/a |
CNRS
| Assay Description
Specific binding was determined by incubation of membranes from GHS-R1a transfected LLC cells with 125I-His9-ghrelin in the presence of increasing co... |
J Med Chem 50: 5790-5806 (2007)
Article DOI: 10.1021/jm0704550
BindingDB Entry DOI: 10.7270/Q2HD7SZ4 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50049478
(1-{[(2R)-3-(benzyloxy)-1-{1-methanesulfonyl-1,2-di...)Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CN(c3ccccc23)S(C)(=O)=O)CC1 Show InChI InChI=1S/C27H36N4O5S/c1-26(2,28)25(33)29-22(18-36-17-20-9-5-4-6-10-20)24(32)30-15-13-27(14-16-30)19-31(37(3,34)35)23-12-8-7-11-21(23)27/h4-12,22H,13-19,28H2,1-3H3,(H,29,33)/t22-/m1/s1 | PDB
Reactome pathway
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CHEMBL
MCE
PC cid
PC sid
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UniChem
Patents
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| PDB
Article
PubMed
| n/a | n/a | 0.760 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Montpellier I et II
Curated by ChEMBL
| Assay Description
Binding affinity towards cloned human Growth hormone secretagogue receptor type I in LLC PK-1 cells using [125I][His9]-ghrelin as radioligand |
J Med Chem 46: 1191-203 (2003)
Article DOI: 10.1021/jm020985q
BindingDB Entry DOI: 10.7270/Q2HQ40NJ |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM19334
(N-[(1R)-1-{4-[(2,4-dimethoxyphenyl)methyl]-5-(2-ph...)Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCNCC2)c(OC)c1 |r| Show InChI InChI=1S/C35H40N6O3/c1-43-28-14-13-26(32(21-28)44-2)23-41-33(15-12-24-8-4-3-5-9-24)39-40-34(41)31(38-35(42)25-16-18-36-19-17-25)20-27-22-37-30-11-7-6-10-29(27)30/h3-11,13-14,21-22,25,31,36-37H,12,15-20,23H2,1-2H3,(H,38,42)/t31-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.900 | n/a | 6.10 | n/a | n/a | n/a | n/a |
CNRS
| Assay Description
Specific binding was determined by incubation of membranes from GHS-R1a transfected LLC cells with 125I-His9-ghrelin in the presence of increasing co... |
J Med Chem 50: 5790-5806 (2007)
Article DOI: 10.1021/jm0704550
BindingDB Entry DOI: 10.7270/Q2HD7SZ4 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50125888
(CHEMBL282891 | Piperidine-4-carboxylic acid [1-[(R...)Show SMILES O=CN[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C1CCNCC1 Show InChI InChI=1S/C28H32N6O3/c35-17-32-26(14-20-16-31-24-8-4-2-6-22(20)24)34-28(37)25(33-27(36)18-9-11-29-12-10-18)13-19-15-30-23-7-3-1-5-21(19)23/h1-8,15-18,25-26,29-31H,9-14H2,(H,32,35)(H,33,36)(H,34,37)/t25-,26-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Montpellier I et II
Curated by ChEMBL
| Assay Description
Binding affinity towards cloned human Growth hormone secretagogue receptor type I in LLC PK-1 cells using [125I][His9]-ghrelin as radioligand |
J Med Chem 46: 1191-203 (2003)
Article DOI: 10.1021/jm020985q
BindingDB Entry DOI: 10.7270/Q2HQ40NJ |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM19312
((2S)-N-[(1R)-1-{4-[(2,4-dimethoxyphenyl)methyl]-5-...)Show SMILES COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2)c(OC)c1 |r| Show InChI InChI=1S/C36H39N7O3/c1-45-26-15-13-24(33(19-26)46-2)22-43-34(16-14-23-20-38-29-10-5-3-8-27(23)29)41-42-35(43)32(40-36(44)31-12-7-17-37-31)18-25-21-39-30-11-6-4-9-28(25)30/h3-6,8-11,13,15,19-21,31-32,37-39H,7,12,14,16-18,22H2,1-2H3,(H,40,44)/t31-,32+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.60 | 11 | n/a | n/a | n/a | 7.3 | 25 |
CNRS
| Assay Description
Specific binding was determined by incubation of membranes from GHS-R1a transfected LLC cells with 125I-His9-ghrelin in the presence of increasing co... |
J Med Chem 50: 5790-5806 (2007)
Article DOI: 10.1021/jm0704550
BindingDB Entry DOI: 10.7270/Q2HD7SZ4 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM19294
(2-amino-N-[(1R)-2-(1H-indol-3-yl)-1-{5-[2-(1H-indo...)Show SMILES COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 |r| Show InChI InChI=1S/C34H37N7O2/c1-34(2,35)33(42)38-30(18-24-20-37-29-11-7-5-9-27(24)29)32-40-39-31(41(32)21-22-12-15-25(43-3)16-13-22)17-14-23-19-36-28-10-6-4-8-26(23)28/h4-13,15-16,19-20,30,36-37H,14,17-18,21,35H2,1-3H3,(H,38,42)/t30-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS-Universités Montpellier I et II
Curated by ChEMBL
| Assay Description
Displacement of [125I-His9]ghrelin from human GHS1a receptor expressed in LLC PK1 cells |
J Med Chem 50: 1939-57 (2007)
Article DOI: 10.1021/jm070024h
BindingDB Entry DOI: 10.7270/Q2251HW6 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM19349
(N-[(1R)-2-(1H-indol-3-yl)-1-{4-[(4-methoxyphenyl)m...)Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCOCC2)cc1 |r| Show InChI InChI=1S/C34H37N5O3/c1-41-28-14-11-25(12-15-28)23-39-32(16-13-24-7-3-2-4-8-24)37-38-33(39)31(36-34(40)26-17-19-42-20-18-26)21-27-22-35-30-10-6-5-9-29(27)30/h2-12,14-15,22,26,31,35H,13,16-21,23H2,1H3,(H,36,40)/t31-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6 | 51 | n/a | n/a | n/a | n/a | n/a |
CNRS
| Assay Description
Specific binding was determined by incubation of membranes from GHS-R1a transfected LLC cells with 125I-His9-ghrelin in the presence of increasing co... |
J Med Chem 50: 5790-5806 (2007)
Article DOI: 10.1021/jm0704550
BindingDB Entry DOI: 10.7270/Q2HD7SZ4 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM19294
(2-amino-N-[(1R)-2-(1H-indol-3-yl)-1-{5-[2-(1H-indo...)Show SMILES COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 |r| Show InChI InChI=1S/C34H37N7O2/c1-34(2,35)33(42)38-30(18-24-20-37-29-11-7-5-9-27(24)29)32-40-39-31(41(32)21-22-12-15-25(43-3)16-13-22)17-14-23-19-36-28-10-6-4-8-26(23)28/h4-13,15-16,19-20,30,36-37H,14,17-18,21,35H2,1-3H3,(H,38,42)/t30-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6 | 4 | n/a | n/a | n/a | 7.3 | 25 |
CNRS
| Assay Description
Specific binding was determined by incubation of membranes from GHS-R1a transfected LLC cells with 125I-His9-ghrelin in the presence of increasing co... |
J Med Chem 50: 5790-5806 (2007)
Article DOI: 10.1021/jm0704550
BindingDB Entry DOI: 10.7270/Q2HD7SZ4 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM19318
(N-[(1R)-1-{4-[(2,4-dimethoxyphenyl)methyl]-5-[2-(1...)Show SMILES COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCCNC2)c(OC)c1 |r| Show InChI InChI=1S/C37H41N7O3/c1-46-28-15-13-26(34(19-28)47-2)23-44-35(16-14-24-21-39-31-11-5-3-9-29(24)31)42-43-36(44)33(41-37(45)25-8-7-17-38-20-25)18-27-22-40-32-12-6-4-10-30(27)32/h3-6,9-13,15,19,21-22,25,33,38-40H,7-8,14,16-18,20,23H2,1-2H3,(H,41,45)/t25?,33-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6.5 | n/a | 5.30 | n/a | n/a | 7.3 | 25 |
CNRS
| Assay Description
Specific binding was determined by incubation of membranes from GHS-R1a transfected LLC cells with 125I-His9-ghrelin in the presence of increasing co... |
J Med Chem 50: 5790-5806 (2007)
Article DOI: 10.1021/jm0704550
BindingDB Entry DOI: 10.7270/Q2HD7SZ4 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM19323
((3R)-N-[(1R)-2-(1H-indol-3-yl)-1-{4-[(4-methoxyphe...)Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCNC2)cc1 |r| Show InChI InChI=1S/C34H38N6O2/c1-42-28-16-13-25(14-17-28)23-40-32(18-15-24-8-3-2-4-9-24)38-39-33(40)31(37-34(41)26-10-7-19-35-21-26)20-27-22-36-30-12-6-5-11-29(27)30/h2-6,8-9,11-14,16-17,22,26,31,35-36H,7,10,15,18-21,23H2,1H3,(H,37,41)/t26-,31-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | 36 | n/a | n/a | n/a | n/a |
CNRS
| Assay Description
Specific binding was determined by incubation of membranes from GHS-R1a transfected LLC cells with 125I-His9-ghrelin in the presence of increasing co... |
J Med Chem 50: 5790-5806 (2007)
Article DOI: 10.1021/jm0704550
BindingDB Entry DOI: 10.7270/Q2HD7SZ4 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM19308
((2S)-N-[(1R)-2-(1H-indol-3-yl)-1-{5-[2-(1H-indol-3...)Show SMILES COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2)cc1 |r| Show InChI InChI=1S/C35H37N7O2/c1-44-26-15-12-23(13-16-26)22-42-33(17-14-24-20-37-29-9-4-2-7-27(24)29)40-41-34(42)32(39-35(43)31-11-6-18-36-31)19-25-21-38-30-10-5-3-8-28(25)30/h2-5,7-10,12-13,15-16,20-21,31-32,36-38H,6,11,14,17-19,22H2,1H3,(H,39,43)/t31-,32+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 9 | 6 | n/a | n/a | n/a | 7.3 | 25 |
CNRS
| Assay Description
Specific binding was determined by incubation of membranes from GHS-R1a transfected LLC cells with 125I-His9-ghrelin in the presence of increasing co... |
J Med Chem 50: 5790-5806 (2007)
Article DOI: 10.1021/jm0704550
BindingDB Entry DOI: 10.7270/Q2HD7SZ4 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM19310
((2S)-N-[(1R)-2-(1H-indol-3-yl)-1-{4-[(4-methoxyphe...)Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2)cc1 |r| Show InChI InChI=1S/C33H36N6O2/c1-41-26-16-13-24(14-17-26)22-39-31(18-15-23-8-3-2-4-9-23)37-38-32(39)30(36-33(40)29-12-7-19-34-29)20-25-21-35-28-11-6-5-10-27(25)28/h2-6,8-11,13-14,16-17,21,29-30,34-35H,7,12,15,18-20,22H2,1H3,(H,36,40)/t29-,30+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 9.5 | 13 | n/a | n/a | n/a | 7.3 | 25 |
CNRS
| Assay Description
Specific binding was determined by incubation of membranes from GHS-R1a transfected LLC cells with 125I-His9-ghrelin in the presence of increasing co... |
J Med Chem 50: 5790-5806 (2007)
Article DOI: 10.1021/jm0704550
BindingDB Entry DOI: 10.7270/Q2HD7SZ4 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50366689
(GHRELIN)Show SMILES CCCCCCCC(=O)OC[C@H](NC(=O)CNC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(O)=O |r,wU:65.67,185.189,192.197,230.236,120.122,11.11,69.70,129.131,19.19,164.166,37.36,173.175,201.205,48.48,218.222,111.113,56.56,wD:106.109,196.201,31.30,140.142,78.79,149.151,158.160,88.90,97.99,210.214,(-10.37,-25.43,;-9.06,-26.25,;-7.69,-25.54,;-6.4,-26.34,;-5.04,-25.62,;-3.72,-26.44,;-2.37,-25.72,;-2.31,-24.18,;-3.63,-23.36,;-.95,-23.47,;-.89,-21.92,;.45,-21.2,;1.74,-22.05,;1.71,-23.59,;.35,-24.3,;3.02,-24.41,;2.96,-25.94,;4.26,-26.76,;5.62,-26.03,;4.21,-28.3,;5.52,-29.12,;2.86,-29.01,;1.55,-28.21,;.19,-28.92,;-1.13,-28.13,;-2.49,-28.84,;-2.56,-30.38,;-3.82,-28.04,;.51,-19.67,;1.87,-18.94,;-.8,-18.87,;-.72,-17.33,;.63,-16.62,;.68,-15.08,;-2.02,-16.52,;-3.39,-17.24,;-1.98,-14.98,;-3.28,-14.16,;-4.66,-14.88,;-5.95,-14.06,;-7.3,-14.78,;-8.59,-13.97,;-8.55,-12.43,;-7.19,-11.7,;-5.88,-12.51,;-3.24,-12.62,;-4.54,-11.8,;-1.88,-11.9,;-1.81,-10.36,;-3.12,-9.54,;-3.06,-8,;-4.37,-7.19,;-1.71,-7.28,;-.46,-9.64,;.85,-10.45,;-.4,-8.1,;.96,-7.38,;1.01,-5.83,;-.31,-5.04,;2.26,-8.19,;1.95,-9.69,;3.72,-7.72,;4.22,-6.25,;5.76,-6.25,;6.23,-7.71,;4.98,-8.61,;4.98,-10.16,;3.64,-10.92,;6.3,-10.95,;7.63,-10.18,;7.63,-8.64,;8.96,-7.87,;8.96,-6.33,;10.28,-5.58,;7.63,-5.56,;8.96,-10.94,;10.3,-10.18,;8.94,-12.48,;7.6,-13.24,;6.26,-12.47,;4.93,-13.24,;3.52,-12.6,;2.48,-13.74,;3.25,-15.07,;4.76,-14.77,;7.6,-14.78,;8.93,-15.55,;6.27,-15.55,;6.27,-17.09,;4.93,-17.86,;4.93,-19.4,;3.6,-20.17,;2.27,-19.41,;3.6,-21.71,;7.6,-17.86,;7.6,-19.4,;8.93,-17.09,;10.27,-17.85,;10.27,-19.39,;11.62,-20.16,;11.62,-21.7,;12.94,-22.47,;12.93,-24.02,;11.62,-17.08,;12.94,-17.85,;11.61,-15.54,;12.94,-14.77,;14.28,-15.54,;12.94,-13.23,;11.61,-12.47,;14.27,-12.46,;14.28,-10.92,;12.95,-10.16,;12.95,-8.61,;11.61,-7.85,;10.24,-8.64,;11.61,-6.3,;15.6,-10.16,;16.95,-10.92,;15.56,-8.62,;16.9,-7.85,;16.9,-6.31,;15.56,-5.54,;15.56,-4,;16.85,-3.26,;14.22,-3.23,;18.23,-8.62,;18.23,-10.16,;19.57,-7.86,;20.92,-8.59,;22.25,-7.82,;22.25,-6.28,;23.59,-5.51,;24.89,-6.32,;26.21,-5.53,;27.53,-6.34,;26.19,-4.02,;20.92,-10.13,;19.58,-10.9,;22.23,-10.94,;22.26,-12.48,;20.93,-13.26,;20.93,-14.79,;19.59,-15.57,;18.26,-14.79,;18.23,-13.29,;23.59,-13.26,;23.59,-14.79,;24.93,-12.49,;26.28,-13.23,;26.28,-14.77,;27.62,-15.54,;27.62,-17.08,;26.27,-17.86,;28.95,-17.85,;27.62,-12.46,;27.62,-10.93,;28.94,-13.24,;30.27,-12.46,;31.6,-13.23,;32.93,-12.48,;30.27,-10.92,;28.94,-10.16,;31.61,-10.16,;31.62,-8.62,;30.29,-7.85,;30.29,-6.31,;28.95,-5.54,;28.95,-4,;27.61,-3.24,;32.95,-7.85,;34.28,-8.62,;32.94,-6.31,;34.27,-5.54,;34.27,-4,;32.94,-3.23,;32.94,-1.69,;31.61,-.92,;31.59,.62,;35.61,-6.31,;35.61,-7.85,;36.94,-5.54,;37.1,-4.04,;38.62,-3.7,;39.39,-5.03,;38.39,-6.18,;38.7,-7.66,;37.62,-8.74,;40.19,-8.15,;41.43,-7.23,;42.69,-8.12,;42.22,-9.6,;40.68,-9.6,;39.89,-10.92,;38.34,-10.89,;40.63,-12.27,;39.83,-13.59,;38.29,-13.57,;40.58,-14.95,;42.12,-14.97,;39.78,-16.26,;40.53,-17.61,;42.07,-17.63,;42.87,-16.31,;44.4,-16.34,;45.15,-17.69,;46.68,-17.73,;39.73,-18.92,;40.48,-20.27,;38.19,-18.9,;37.4,-20.22,;35.86,-20.19,;35.07,-21.51,;33.53,-21.48,;35.82,-22.85,;38.15,-21.56,;39.69,-21.6,;37.36,-22.88,;38.1,-24.23,;39.65,-24.27,;40.39,-25.61,;41.93,-25.64,;42.66,-26.99,;42.72,-24.32,;37.3,-25.55,;35.77,-25.52,;38.03,-26.89,;39.64,-27.11,;39.85,-28.64,;38.55,-29.35,;37.45,-28.32,;35.9,-28.61,;35.48,-30.09,;34.83,-27.5,)| Show InChI InChI=1S/C147H245N45O42/c1-8-9-10-11-15-45-118(205)234-78-106(169-115(200)74-165-121(208)86(153)34-26-63-163-146(158)159)138(225)187-104(76-194)137(224)184-101(71-84-32-13-12-14-33-84)134(221)183-100(70-81(4)5)133(220)188-105(77-195)143(230)189-65-28-42-108(189)140(227)179-96(51-57-117(203)204)130(217)185-102(72-85-73-162-79-166-85)135(222)178-94(48-54-113(156)198)129(216)172-87(35-16-21-58-148)122(209)167-82(6)119(206)171-92(46-52-111(154)196)127(214)176-93(47-53-112(155)197)128(215)174-91(40-27-64-164-147(160)161)124(211)173-89(37-18-23-60-150)123(210)177-95(50-56-116(201)202)131(218)186-103(75-193)136(223)175-90(38-19-24-61-151)125(212)180-97(39-20-25-62-152)141(228)191-67-30-43-109(191)144(231)190-66-29-41-107(190)139(226)168-83(7)120(207)170-88(36-17-22-59-149)126(213)182-99(69-80(2)3)132(219)181-98(49-55-114(157)199)142(229)192-68-31-44-110(192)145(232)233/h12-14,32-33,73,79-83,86-110,193-195H,8-11,15-31,34-72,74-78,148-153H2,1-7H3,(H2,154,196)(H2,155,197)(H2,156,198)(H2,157,199)(H,162,166)(H,165,208)(H,167,209)(H,168,226)(H,169,200)(H,170,207)(H,171,206)(H,172,216)(H,173,211)(H,174,215)(H,175,223)(H,176,214)(H,177,210)(H,178,222)(H,179,227)(H,180,212)(H,181,219)(H,182,213)(H,183,221)(H,184,224)(H,185,217)(H,186,218)(H,187,225)(H,188,220)(H,201,202)(H,203,204)(H,232,233)(H4,158,159,163)(H4,160,161,164)/t82-,83-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Montpellier I et II
Curated by ChEMBL
| Assay Description
Binding affinity towards human pituitary Growth hormone secretagogue receptor using [125I][Tyr4]-ghrelin as radioligand |
J Med Chem 46: 1191-203 (2003)
Article DOI: 10.1021/jm020985q
BindingDB Entry DOI: 10.7270/Q2HQ40NJ |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM19321
((3S)-N-[(1R)-2-(1H-indol-3-yl)-1-{5-[2-(1H-indol-3...)Show SMILES COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]2CCCNC2)cc1 |r| Show InChI InChI=1S/C36H39N7O2/c1-45-28-15-12-24(13-16-28)23-43-34(17-14-25-21-38-31-10-4-2-8-29(25)31)41-42-35(43)33(40-36(44)26-7-6-18-37-20-26)19-27-22-39-32-11-5-3-9-30(27)32/h2-5,8-13,15-16,21-22,26,33,37-39H,6-7,14,17-20,23H2,1H3,(H,40,44)/t26-,33+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | 2.5 | n/a | n/a | 7.3 | 25 |
CNRS
| Assay Description
Specific binding was determined by incubation of membranes from GHS-R1a transfected LLC cells with 125I-His9-ghrelin in the presence of increasing co... |
J Med Chem 50: 5790-5806 (2007)
Article DOI: 10.1021/jm0704550
BindingDB Entry DOI: 10.7270/Q2HD7SZ4 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50208662
((R)-N-(1-(4-(4-methoxybenzyl)-5-phenethyl-4H-1,2,4...)Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 Show InChI InChI=1S/C32H36N6O2/c1-32(2,33)31(39)35-28(19-24-20-34-27-12-8-7-11-26(24)27)30-37-36-29(18-15-22-9-5-4-6-10-22)38(30)21-23-13-16-25(40-3)17-14-23/h4-14,16-17,20,28,34H,15,18-19,21,33H2,1-3H3,(H,35,39)/t28-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS-Universités Montpellier I et II
Curated by ChEMBL
| Assay Description
Displacement of [125I-His9]ghrelin from human GHS1a receptor expressed in LLC PK1 cells |
J Med Chem 50: 1939-57 (2007)
Article DOI: 10.1021/jm070024h
BindingDB Entry DOI: 10.7270/Q2251HW6 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM19326
((2S)-N-[(1R)-2-(1H-indol-3-yl)-1-{4-[(4-methoxyphe...)Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCCN2)cc1 |r| Show InChI InChI=1S/C34H38N6O2/c1-42-27-17-14-25(15-18-27)23-40-32(19-16-24-9-3-2-4-10-24)38-39-33(40)31(37-34(41)30-13-7-8-20-35-30)21-26-22-36-29-12-6-5-11-28(26)29/h2-6,9-12,14-15,17-18,22,30-31,35-36H,7-8,13,16,19-21,23H2,1H3,(H,37,41)/t30-,31+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | 27 | n/a | n/a | n/a | n/a | n/a |
CNRS
| Assay Description
Specific binding was determined by incubation of membranes from GHS-R1a transfected LLC cells with 125I-His9-ghrelin in the presence of increasing co... |
J Med Chem 50: 5790-5806 (2007)
Article DOI: 10.1021/jm0704550
BindingDB Entry DOI: 10.7270/Q2HD7SZ4 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50208646
((R)-N-(1-(5-(3-(1H-indol-3-yl)propyl)-4-phenethyl-...)Show SMILES CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCCc2c[nH]c3ccccc23)n1CCc1ccccc1 Show InChI InChI=1S/C35H39N7O/c1-35(2,36)34(43)39-31(21-26-23-38-30-17-9-7-15-28(26)30)33-41-40-32(42(33)20-19-24-11-4-3-5-12-24)18-10-13-25-22-37-29-16-8-6-14-27(25)29/h3-9,11-12,14-17,22-23,31,37-38H,10,13,18-21,36H2,1-2H3,(H,39,43)/t31-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS-Universités Montpellier I et II
Curated by ChEMBL
| Assay Description
Displacement of [125I-His9]ghrelin from human GHS1a receptor expressed in LLC PK1 cells |
J Med Chem 50: 1939-57 (2007)
Article DOI: 10.1021/jm070024h
BindingDB Entry DOI: 10.7270/Q2251HW6 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50125889
(CHEMBL214233 | Tyr-Ala-hexarelin)Show SMILES CC(NC(=O)C(N)Cc1ccc(O)cc1)C(=O)NC(Cc1cnc[nH]1)C(=O)N[C@H](Cc1c(C)[nH]c2ccccc12)C(=O)NC(C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)NC(CCCCN)C(N)=O Show InChI InChI=1S/C59H72N14O9/c1-33-43(42-16-8-10-18-46(42)66-33)29-51(73-59(82)50(28-39-31-63-32-65-39)71-53(76)34(2)67-55(78)44(61)25-37-20-22-40(74)23-21-37)56(79)68-35(3)54(77)70-49(27-38-30-64-45-17-9-7-15-41(38)45)58(81)72-48(26-36-13-5-4-6-14-36)57(80)69-47(52(62)75)19-11-12-24-60/h4-10,13-18,20-23,30-32,34-35,44,47-51,64,66,74H,11-12,19,24-29,60-61H2,1-3H3,(H2,62,75)(H,63,65)(H,67,78)(H,68,79)(H,69,80)(H,70,77)(H,71,76)(H,72,81)(H,73,82)/t34?,35?,44?,47?,48-,49?,50?,51-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Montpellier I et II
Curated by ChEMBL
| Assay Description
Binding affinity towards human pituitary Growth hormone secretagogue receptor using [125I][Tyr4]-ghrelin as radioligand |
J Med Chem 46: 1191-203 (2003)
Article DOI: 10.1021/jm020985q
BindingDB Entry DOI: 10.7270/Q2HQ40NJ |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50208678
((R)-N-(1-(4-(4-methoxybenzyl)-5-(3-phenylpropyl)-4...)Show SMILES COc1ccc(Cn2c(CCCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 Show InChI InChI=1S/C33H38N6O2/c1-33(2,34)32(40)36-29(20-25-21-35-28-14-8-7-13-27(25)28)31-38-37-30(15-9-12-23-10-5-4-6-11-23)39(31)22-24-16-18-26(41-3)19-17-24/h4-8,10-11,13-14,16-19,21,29,35H,9,12,15,20,22,34H2,1-3H3,(H,36,40)/t29-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS-Universités Montpellier I et II
Curated by ChEMBL
| Assay Description
Displacement of [125I-His9]ghrelin from human GHS1a receptor expressed in LLC PK1 cells |
J Med Chem 50: 1939-57 (2007)
Article DOI: 10.1021/jm070024h
BindingDB Entry DOI: 10.7270/Q2251HW6 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM19319
(N-[(1R)-1-{4-benzyl-5-[2-(1H-indol-3-yl)ethyl]-4H-...)Show SMILES O=C(N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1Cc1ccccc1)C1CCCNC1 |r| Show InChI InChI=1S/C35H37N7O/c43-35(26-11-8-18-36-20-26)39-32(19-27-22-38-31-15-7-5-13-29(27)31)34-41-40-33(42(34)23-24-9-2-1-3-10-24)17-16-25-21-37-30-14-6-4-12-28(25)30/h1-7,9-10,12-15,21-22,26,32,36-38H,8,11,16-20,23H2,(H,39,43)/t26?,32-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | 9.90 | n/a | n/a | 7.3 | 25 |
CNRS
| Assay Description
Specific binding was determined by incubation of membranes from GHS-R1a transfected LLC cells with 125I-His9-ghrelin in the presence of increasing co... |
J Med Chem 50: 5790-5806 (2007)
Article DOI: 10.1021/jm0704550
BindingDB Entry DOI: 10.7270/Q2HD7SZ4 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50208670
((R)-N-(1-(4-(2-(1H-indol-3-yl)ethyl)-5-(3-(1H-indo...)Show SMILES CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCCc2c[nH]c3ccccc23)n1CCc1c[nH]c2ccccc12 Show InChI InChI=1S/C37H40N8O/c1-37(2,38)36(46)42-33(20-26-23-41-32-16-8-5-13-29(26)32)35-44-43-34(17-9-10-24-21-39-30-14-6-3-11-27(24)30)45(35)19-18-25-22-40-31-15-7-4-12-28(25)31/h3-8,11-16,21-23,33,39-41H,9-10,17-20,38H2,1-2H3,(H,42,46)/t33-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS-Universités Montpellier I et II
Curated by ChEMBL
| Assay Description
Displacement of [125I-His9]ghrelin from human GHS1a receptor expressed in LLC PK1 cells |
J Med Chem 50: 1939-57 (2007)
Article DOI: 10.1021/jm070024h
BindingDB Entry DOI: 10.7270/Q2251HW6 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM19293
((R)-N-(1-(5-(2-(1H-Indol-3-yl)ethyl)-4-benzyl-4H-1...)Show SMILES CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1Cc1ccccc1 |r| Show InChI InChI=1S/C33H35N7O/c1-33(2,34)32(41)37-29(18-24-20-36-28-15-9-7-13-26(24)28)31-39-38-30(40(31)21-22-10-4-3-5-11-22)17-16-23-19-35-27-14-8-6-12-25(23)27/h3-15,19-20,29,35-36H,16-18,21,34H2,1-2H3,(H,37,41)/t29-/m1/s1 | PDB
Reactome pathway
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| n/a | n/a | 15 | n/a | 64 | n/a | n/a | 7.3 | 25 |
CNRS
| Assay Description
Specific binding was determined by incubation of membranes from GHS-R1a transfected LLC cells with 125I-His9-ghrelin in the presence of increasing co... |
J Med Chem 50: 5790-5806 (2007)
Article DOI: 10.1021/jm0704550
BindingDB Entry DOI: 10.7270/Q2HD7SZ4 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM19293
((R)-N-(1-(5-(2-(1H-Indol-3-yl)ethyl)-4-benzyl-4H-1...)Show SMILES CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1Cc1ccccc1 |r| Show InChI InChI=1S/C33H35N7O/c1-33(2,34)32(41)37-29(18-24-20-36-28-15-9-7-13-26(24)28)31-39-38-30(40(31)21-22-10-4-3-5-11-22)17-16-23-19-35-27-14-8-6-12-25(23)27/h3-15,19-20,29,35-36H,16-18,21,34H2,1-2H3,(H,37,41)/t29-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS-Universités Montpellier I et II
Curated by ChEMBL
| Assay Description
Displacement of [125I-His9]ghrelin from human GHS1a receptor expressed in LLC PK1 cells |
J Med Chem 50: 1939-57 (2007)
Article DOI: 10.1021/jm070024h
BindingDB Entry DOI: 10.7270/Q2251HW6 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM19322
((3S)-N-[(1R)-2-(1H-indol-3-yl)-1-{4-[(4-methoxyphe...)Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]2CCCNC2)cc1 |r| Show InChI InChI=1S/C34H38N6O2/c1-42-28-16-13-25(14-17-28)23-40-32(18-15-24-8-3-2-4-9-24)38-39-33(40)31(37-34(41)26-10-7-19-35-21-26)20-27-22-36-30-12-6-5-11-29(27)30/h2-6,8-9,11-14,16-17,22,26,31,35-36H,7,10,15,18-21,23H2,1H3,(H,37,41)/t26-,31+/m0/s1 | PDB
Reactome pathway
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UniProtKB/SwissProt
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| PC cid
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PubMed
| n/a | n/a | 16 | 10 | n/a | n/a | n/a | 7.3 | 25 |
CNRS
| Assay Description
Specific binding was determined by incubation of membranes from GHS-R1a transfected LLC cells with 125I-His9-ghrelin in the presence of increasing co... |
J Med Chem 50: 5790-5806 (2007)
Article DOI: 10.1021/jm0704550
BindingDB Entry DOI: 10.7270/Q2HD7SZ4 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50125877
(CHEMBL281173 | [(S)-1-[(R)-2-(2-Amino-2-methyl-pro...)Show SMILES CCOC(=O)N[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)N Show InChI InChI=1S/C28H34N6O4/c1-4-38-27(37)34-24(14-18-16-31-22-12-8-6-10-20(18)22)33-25(35)23(32-26(36)28(2,3)29)13-17-15-30-21-11-7-5-9-19(17)21/h5-12,15-16,23-24,30-31H,4,13-14,29H2,1-3H3,(H,32,36)(H,33,35)(H,34,37)/t23-,24+/m1/s1 | PDB
Reactome pathway
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UniProtKB/SwissProt
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UniChem
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PubMed
| n/a | n/a | 16.2 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Montpellier I et II
Curated by ChEMBL
| Assay Description
Binding affinity towards human pituitary Growth hormone secretagogue receptor using [125I][Tyr4]-ghrelin as radioligand |
J Med Chem 46: 1191-203 (2003)
Article DOI: 10.1021/jm020985q
BindingDB Entry DOI: 10.7270/Q2HQ40NJ |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50125881
(2-Amino-N-[1-[(R)-(S)-1-(3-ethyl-ureido)-2-(1H-ind...)Show SMILES CCNC(=O)N[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)N Show InChI InChI=1S/C28H35N7O3/c1-4-30-27(38)35-24(14-18-16-32-22-12-8-6-10-20(18)22)34-25(36)23(33-26(37)28(2,3)29)13-17-15-31-21-11-7-5-9-19(17)21/h5-12,15-16,23-24,31-32H,4,13-14,29H2,1-3H3,(H,33,37)(H,34,36)(H2,30,35,38)/t23-,24+/m1/s1 | PDB
Reactome pathway
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| n/a | n/a | 16.9 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Montpellier I et II
Curated by ChEMBL
| Assay Description
Binding affinity towards human pituitary Growth hormone secretagogue receptor using [125I][Tyr4]-ghrelin as radioligand |
J Med Chem 46: 1191-203 (2003)
Article DOI: 10.1021/jm020985q
BindingDB Entry DOI: 10.7270/Q2HQ40NJ |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50208689
((R)-N-(1-(5-(2-(1H-indol-3-yl)ethyl)-4-(3-methoxyb...)Show SMILES COc1cccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)c1 Show InChI InChI=1S/C34H37N7O2/c1-34(2,35)33(42)38-30(18-24-20-37-29-14-7-5-12-27(24)29)32-40-39-31(41(32)21-22-9-8-10-25(17-22)43-3)16-15-23-19-36-28-13-6-4-11-26(23)28/h4-14,17,19-20,30,36-37H,15-16,18,21,35H2,1-3H3,(H,38,42)/t30-/m1/s1 | PDB
Reactome pathway
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UniProtKB/SwissProt
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| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS-Universités Montpellier I et II
Curated by ChEMBL
| Assay Description
Displacement of [125I-His9]ghrelin from human GHS1a receptor expressed in LLC PK1 cells |
J Med Chem 50: 1939-57 (2007)
Article DOI: 10.1021/jm070024h
BindingDB Entry DOI: 10.7270/Q2251HW6 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50370294
(Examorelin | HEXARELIN | US9708370, Hexareline)Show SMILES C[C@H](NC(=O)[C@@H](Cc1c(C)[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O Show InChI InChI=1S/C47H58N12O6/c1-27-34(33-15-7-9-17-37(33)54-27)23-41(58-44(62)35(49)22-31-25-51-26-53-31)45(63)55-28(2)43(61)57-40(21-30-24-52-36-16-8-6-14-32(30)36)47(65)59-39(20-29-12-4-3-5-13-29)46(64)56-38(42(50)60)18-10-11-19-48/h3-9,12-17,24-26,28,35,38-41,52,54H,10-11,18-23,48-49H2,1-2H3,(H2,50,60)(H,51,53)(H,55,63)(H,56,64)(H,57,61)(H,58,62)(H,59,65)/t28-,35-,38-,39+,40-,41+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| Purchase
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Montpellier I et II
Curated by ChEMBL
| Assay Description
Binding affinity towards human pituitary Growth hormone secretagogue receptor using [125I][Tyr4]-ghrelin as radioligand |
J Med Chem 46: 1191-203 (2003)
Article DOI: 10.1021/jm020985q
BindingDB Entry DOI: 10.7270/Q2HQ40NJ |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM19344
(N-[(1R)-2-(1H-indol-3-yl)-1-{5-[2-(1H-indol-3-yl)e...)Show SMILES COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2CNCCN2)cc1 |r| Show InChI InChI=1S/C35H38N8O2/c1-45-26-13-10-23(11-14-26)22-43-33(15-12-24-19-38-29-8-4-2-6-27(24)29)41-42-34(43)31(40-35(44)32-21-36-16-17-37-32)18-25-20-39-30-9-5-3-7-28(25)30/h2-11,13-14,19-20,31-32,36-39H,12,15-18,21-22H2,1H3,(H,40,44)/t31-,32?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
Patents
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PubMed
| n/a | n/a | 18 | n/a | 8.70 | n/a | n/a | n/a | n/a |
CNRS
| Assay Description
Specific binding was determined by incubation of membranes from GHS-R1a transfected LLC cells with 125I-His9-ghrelin in the presence of increasing co... |
J Med Chem 50: 5790-5806 (2007)
Article DOI: 10.1021/jm0704550
BindingDB Entry DOI: 10.7270/Q2HD7SZ4 |
More data for this
Ligand-Target Pair | |
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