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Compile Data Set for Download or QSAR

Found 74 hits Enz. Inhib. hit(s) with Target = 'Gastrin-Releasing peptide' AND taxid = 10116   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Gastrin-Releasing peptide


(RAT)
BDBM50089287
PNG
(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
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>0.0000100n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Gastrin-Releasing peptide


(RAT)
BDBM50005601
PNG
(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
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>0.0000100n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Gastrin-Releasing peptide


(RAT)
BDBM50089289
PNG
(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
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>0.0000100n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Gastrin-Releasing peptide


(RAT)
BDBM50408923
PNG
(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
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>0.0000100n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Gastrin-Releasing peptide


(RAT)
BDBM85480
PNG
((3-Ph-Pr6)His7,DAla11,DPro13,Psi13-14,Phe14-Bn(6-1...)
Show SMILES CC(C)[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)CCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1CN[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C57H76N14O9/c1-33(2)49(56(79)66-34(3)51(74)69-47(28-39-30-61-32-64-39)57(80)71-25-13-18-40(71)31-63-45(50(60)73)26-37-16-9-6-10-17-37)70-52(75)35(4)65-55(78)46(27-38-29-62-43-20-12-11-19-41(38)43)68-54(77)44(23-24-48(59)72)67-53(76)42(58)22-21-36-14-7-5-8-15-36/h5-12,14-17,19-20,29-30,32-35,40,42,44-47,49,62-63H,13,18,21-28,31,58H2,1-4H3,(H2,59,72)(H2,60,73)(H,61,64)(H,65,78)(H,66,79)(H,67,76)(H,68,77)(H,69,74)(H,70,75)/t34-,35-,40-,42+,44-,45-,46-,47-,49-/m0/s1
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0.740n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Gastrin-Releasing peptide


(RAT)
BDBM85500
PNG
(Bombesin,Phe13)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)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](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCC(=O)N1)C(C)C)C(N)=O
Show InChI InChI=1S/C74H108N24O18S/c1-37(2)27-50(95-65(108)46(17-12-25-82-74(79)80)92-67(110)48(18-21-55(75)99)93-66(109)47-20-23-58(102)88-47)64(107)84-34-59(103)90-54(31-57(77)101)72(115)94-49(19-22-56(76)100)68(111)97-52(29-41-32-83-44-16-11-10-15-43(41)44)69(112)87-39(5)63(106)98-61(38(3)4)73(116)85-35-60(104)89-53(30-42-33-81-36-86-42)71(114)96-51(28-40-13-8-7-9-14-40)70(113)91-45(62(78)105)24-26-117-6/h7-11,13-16,32-33,36-39,45-54,61,83H,12,17-31,34-35H2,1-6H3,(H2,75,99)(H2,76,100)(H2,77,101)(H2,78,105)(H,81,86)(H,84,107)(H,85,116)(H,87,112)(H,88,102)(H,89,104)(H,90,103)(H,91,113)(H,92,110)(H,93,109)(H,94,115)(H,95,108)(H,96,114)(H,97,111)(H,98,106)(H4,79,80,82)/t39-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,61-/m0/s1
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0.770n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Gastrin-Releasing peptide


(RAT)
BDBM85488
PNG
(DPhe6,BetaAla11,Phe13,Nle14-Bn(6-14))
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](C)NC(=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/C57H76N14O10/c1-6-7-21-42(49(60)73)66-55(79)44(26-36-18-12-9-13-19-36)69-56(80)46(28-38-30-61-31-63-38)68-50(74)33(4)65-57(81)48(32(2)3)71-51(75)34(5)64-54(78)45(27-37-29-62-41-22-15-14-20-39(37)41)70-53(77)43(23-24-47(59)72)67-52(76)40(58)25-35-16-10-8-11-17-35/h8-20,22,29-34,40,42-46,48,62H,6-7,21,23-28,58H2,1-5H3,(H2,59,72)(H2,60,73)(H,61,63)(H,64,78)(H,65,81)(H,66,79)(H,67,76)(H,68,74)(H,69,80)(H,70,77)(H,71,75)/t33-,34-,40+,42-,43-,44-,45-,46-,48-/m0/s1
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0.990n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Gastrin-Releasing peptide


(RAT)
BDBM50089280
PNG
(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
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1.70n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Gastrin-Releasing peptide


(RAT)
BDBM50089284
PNG
(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)
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1.80n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Gastrin-Releasing peptide


(RAT)
BDBM85499
PNG
(CAS_29451-71-6 | NSC_5489061 | Ranatensin)
Show SMILES CSCCC(NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1cnc[nH]1)NC(=O)CNC(=O)C(NC(=O)C(C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCC(N)=O)NC(=O)C1CCCN1C(=O)C(NC(=O)C1CCC(=O)N1)C(C)C)C(C)C)C(N)=O
Show InChI InChI=1S/C61H84N16O13S/c1-32(2)50(60(89)66-30-49(80)70-45(27-37-29-64-31-67-37)58(87)73-43(25-35-13-8-7-9-14-35)57(86)71-40(52(63)81)22-24-91-6)75-53(82)34(5)68-56(85)44(26-36-28-65-39-16-11-10-15-38(36)39)74-54(83)42(18-20-47(62)78)72-59(88)46-17-12-23-77(46)61(90)51(33(3)4)76-55(84)41-19-21-48(79)69-41/h7-11,13-16,28-29,31-34,40-46,50-51,65H,12,17-27,30H2,1-6H3,(H2,62,78)(H2,63,81)(H,64,67)(H,66,89)(H,68,85)(H,69,79)(H,70,80)(H,71,86)(H,72,88)(H,73,87)(H,74,83)(H,75,82)(H,76,84)
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2n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Gastrin-Releasing peptide


(RAT)
BDBM85486
PNG
(DPhe6-Bn[6-14))
Show SMILES CSCC[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/C52H74N14O10S/c1-28(2)20-39(50(74)62-37(45(55)69)18-19-77-6)64-51(75)41(23-33-25-56-27-59-33)61-43(68)26-58-52(76)44(29(3)4)66-46(70)30(5)60-49(73)40(22-32-24-57-36-15-11-10-14-34(32)36)65-48(72)38(16-17-42(54)67)63-47(71)35(53)21-31-12-8-7-9-13-31/h7-15,24-25,27-30,35,37-41,44,57H,16-23,26,53H2,1-6H3,(H2,54,67)(H2,55,69)(H,56,59)(H,58,76)(H,60,73)(H,61,68)(H,62,74)(H,63,71)(H,64,75)(H,65,72)(H,66,70)/t30-,35+,37-,38-,39-,40-,41-,44-/m0/s1
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2n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Gastrin-Releasing peptide


(RAT)
BDBM85502
PNG
(PG-L)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)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]1CCCN1C(=O)CNC(=O)CNC(=O)CNC(=O)[C@@H](N)CCC(O)=O)C(C)C)C(N)=O
Show InChI InChI=1S/C62H86N18O16S/c1-33(2)53(62(96)71-30-50(84)74-45(25-37-27-66-32-72-37)60(94)77-43(23-35-11-6-5-7-12-35)59(93)75-41(54(65)88)20-22-97-4)79-55(89)34(3)73-58(92)44(24-36-26-67-40-14-9-8-13-38(36)40)78-57(91)42(17-18-47(64)81)76-61(95)46-15-10-21-80(46)51(85)31-69-48(82)28-68-49(83)29-70-56(90)39(63)16-19-52(86)87/h5-9,11-14,26-27,32-34,39,41-46,53,67H,10,15-25,28-31,63H2,1-4H3,(H2,64,81)(H2,65,88)(H,66,72)(H,68,83)(H,69,82)(H,70,90)(H,71,96)(H,73,92)(H,74,84)(H,75,93)(H,76,95)(H,77,94)(H,78,91)(H,79,89)(H,86,87)/t34-,39-,41-,42-,43-,44-,45-,46-,53-/m0/s1
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3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Gastrin-Releasing peptide


(RAT)
BDBM50089285
PNG
(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)
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3.10n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Gastrin-Releasing peptide


(RAT)
BDBM50089282
PNG
((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
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3.20n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Gastrin-Releasing peptide


(RAT)
BDBM50089281
PNG
(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
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3.80n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Gastrin-Releasing peptide


(RAT)
BDBM85484
PNG
(Bombesin)
Show SMILES CSCC[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](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCC(=O)N1)C(C)C)C(N)=O
Show InChI InChI=1S/C71H110N24O18S/c1-34(2)24-47(92-62(105)43(14-11-22-79-71(76)77)89-64(107)45(15-18-52(72)96)90-63(106)44-17-20-55(99)85-44)61(104)81-31-56(100)87-51(28-54(74)98)69(112)91-46(16-19-53(73)97)65(108)94-49(26-38-29-80-41-13-10-9-12-40(38)41)66(109)84-37(7)60(103)95-58(36(5)6)70(113)82-32-57(101)86-50(27-39-30-78-33-83-39)68(111)93-48(25-35(3)4)67(110)88-42(59(75)102)21-23-114-8/h9-10,12-13,29-30,33-37,42-51,58,80H,11,14-28,31-32H2,1-8H3,(H2,72,96)(H2,73,97)(H2,74,98)(H2,75,102)(H,78,83)(H,81,104)(H,82,113)(H,84,109)(H,85,99)(H,86,101)(H,87,100)(H,88,110)(H,89,107)(H,90,106)(H,91,112)(H,92,105)(H,93,111)(H,94,108)(H,95,103)(H4,76,77,79)/t37-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,58-/m0/s1
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4n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Gastrin-Releasing peptide


(RAT)
BDBM50089291
PNG
(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
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5.20n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Gastrin-Releasing peptide


(RAT)
BDBM85498
PNG
(CAS_5486808 | Litorin | NSC_5486808)
Show SMILES CSCCC(NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1cnc[nH]1)NC(=O)CNC(=O)C(NC(=O)C(C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCC(N)=O)NC(=O)C1CCC(=O)N1)C(C)C)C(N)=O
Show InChI InChI=1S/C51H68N14O11S/c1-27(2)43(51(76)56-25-42(68)60-39(22-31-24-54-26-57-31)50(75)63-37(20-29-10-6-5-7-11-29)49(74)61-34(44(53)69)18-19-77-4)65-45(70)28(3)58-48(73)38(21-30-23-55-33-13-9-8-12-32(30)33)64-47(72)36(14-16-40(52)66)62-46(71)35-15-17-41(67)59-35/h5-13,23-24,26-28,34-39,43,55H,14-22,25H2,1-4H3,(H2,52,66)(H2,53,69)(H,54,57)(H,56,76)(H,58,73)(H,59,67)(H,60,68)(H,61,74)(H,62,71)(H,63,75)(H,64,72)(H,65,70)
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6n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Gastrin-Releasing peptide


(RAT)
BDBM85495
PNG
(DPhe6-Bn(6-13)propylamide)
Show SMILES CCCNC(=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
Show InChI InChI=1S/C50H71N13O9/c1-7-19-54-46(68)38(20-28(2)3)61-49(71)40(23-33-25-53-27-57-33)59-42(65)26-56-50(72)43(29(4)5)63-44(66)30(6)58-48(70)39(22-32-24-55-36-16-12-11-15-34(32)36)62-47(69)37(17-18-41(52)64)60-45(67)35(51)21-31-13-9-8-10-14-31/h8-16,24-25,27-30,35,37-40,43,55H,7,17-23,26,51H2,1-6H3,(H2,52,64)(H,53,57)(H,54,68)(H,56,72)(H,58,70)(H,59,65)(H,60,67)(H,61,71)(H,62,69)(H,63,66)/t30-,35+,37-,38-,39-,40-,43-/m0/s1
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6n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Gastrin-Releasing peptide


(RAT)
BDBM85493
PNG
(DTyr6,DAla11-Bn(6-13)butylamide)
Show SMILES CCCCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](C)NC(=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)Cc1ccc(O)cc1)C(C)C
Show InChI InChI=1S/C52H75N13O10/c1-8-9-20-56-48(71)40(21-28(2)3)63-51(74)42(24-34-26-55-27-58-34)62-45(68)30(6)60-52(75)44(29(4)5)65-46(69)31(7)59-50(73)41(23-33-25-57-38-13-11-10-12-36(33)38)64-49(72)39(18-19-43(54)67)61-47(70)37(53)22-32-14-16-35(66)17-15-32/h10-17,25-31,37,39-42,44,57,66H,8-9,18-24,53H2,1-7H3,(H2,54,67)(H,55,58)(H,56,71)(H,59,73)(H,60,75)(H,61,70)(H,62,68)(H,63,74)(H,64,72)(H,65,69)/t30-,31+,37-,39+,40+,41+,42+,44+/m1/s1
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6n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Gastrin-Releasing peptide


(RAT)
BDBM50089278
PNG
(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
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9n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Gastrin-Releasing peptide


(RAT)
BDBM85496
PNG
(DPhe6-Bn(6-13)methylester)
Show SMILES COC(=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
Show InChI InChI=1S/C48H66N12O10/c1-26(2)18-38(48(69)70-6)59-46(67)37(21-31-23-51-25-54-31)56-40(62)24-53-47(68)41(27(3)4)60-42(63)28(5)55-45(66)36(20-30-22-52-34-15-11-10-14-32(30)34)58-44(65)35(16-17-39(50)61)57-43(64)33(49)19-29-12-8-7-9-13-29/h7-15,22-23,25-28,33,35-38,41,52H,16-21,24,49H2,1-6H3,(H2,50,61)(H,51,54)(H,53,68)(H,55,66)(H,56,62)(H,57,64)(H,58,65)(H,59,67)(H,60,63)/t28-,33+,35-,36-,37-,38-,41-/m0/s1
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10n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Gastrin-Releasing peptide


(RAT)
BDBM50089279
PNG
(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
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13n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Gastrin-Releasing peptide


(RAT)
BDBM85481
PNG
(CAS_93755-85-2 | GRP)
Show SMILES CSCCC(NC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)CNC(=O)C(NC(=O)C(C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CC(N)=O)NC(=O)CNC(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)C(Cc1ccc(O)cc1)NC(=O)C(CCSC)NC(=O)C(CCCCN)NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(NC(=O)CNC(=O)CNC(=O)CNC(=O)C(C)NC(=O)C1CCCN1C(=O)C(CC(C)C)NC(=O)C1CCCN1C(=O)C(N)C(C)C)C(C)O)C(C)C)C(C)O)C(C)C)C(N)=O
Show InChI InChI=1S/C130H204N38O31S2/c1-65(2)47-86(115(185)152-82(108(134)178)38-45-200-17)156-116(186)89(52-77-56-137-63-146-77)150-101(176)62-145-123(193)104(69(9)10)163-110(180)72(14)148-114(184)88(51-76-55-140-81-28-20-19-27-80(76)81)157-117(187)90(53-78-57-138-64-147-78)158-118(188)91(54-97(132)172)151-100(175)61-144-111(181)83(30-23-41-139-130(135)136)154-121(191)95-32-25-43-167(95)128(198)93(50-75-34-36-79(171)37-35-75)160-113(183)85(39-46-201-18)153-112(182)84(29-21-22-40-131)155-125(195)107(74(16)170)165-119(189)87(48-66(3)4)159-124(194)105(70(11)12)164-126(196)106(73(15)169)162-102(177)60-142-98(173)58-141-99(174)59-143-109(179)71(13)149-120(190)94-31-24-42-166(94)127(197)92(49-67(5)6)161-122(192)96-33-26-44-168(96)129(199)103(133)68(7)8/h19-20,27-28,34-37,55-57,63-74,82-96,103-107,140,169-171H,21-26,29-33,38-54,58-62,131,133H2,1-18H3,(H2,132,172)(H2,134,178)(H,137,146)(H,138,147)(H,141,174)(H,142,173)(H,143,179)(H,144,181)(H,145,193)(H,148,184)(H,149,190)(H,150,176)(H,151,175)(H,152,185)(H,153,182)(H,154,191)(H,155,195)(H,156,186)(H,157,187)(H,158,188)(H,159,194)(H,160,183)(H,161,192)(H,162,177)(H,163,180)(H,164,196)(H,165,189)(H4,135,136,139)
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18n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Gastrin-Releasing peptide


(RAT)
BDBM81964
PNG
(CAS_5486814 | Gastrin | NSC_5486814 | Neuromedin C)
Show SMILES CSCCC(NC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)CNC(=O)C(NC(=O)C(C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CC(N)=O)NC(=O)CN)C(C)C)C(N)=O
Show InChI InChI=1S/C50H73N17O11S/c1-25(2)13-34(46(74)63-33(43(53)71)11-12-79-6)64-47(75)36(15-29-20-54-23-58-29)62-41(70)22-57-50(78)42(26(3)4)67-44(72)27(5)60-45(73)35(14-28-19-56-32-10-8-7-9-31(28)32)65-48(76)37(16-30-21-55-24-59-30)66-49(77)38(17-39(52)68)61-40(69)18-51/h7-10,19-21,23-27,33-38,42,56H,11-18,22,51H2,1-6H3,(H2,52,68)(H2,53,71)(H,54,58)(H,55,59)(H,57,78)(H,60,73)(H,61,69)(H,62,70)(H,63,74)(H,64,75)(H,65,76)(H,66,77)(H,67,72)
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20n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Gastrin-Releasing peptide


(RAT)
BDBM85494
PNG
(DPhe6-Bn(6-13)NH2)
Show SMILES CC(C)C[C@H](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/C47H65N13O9/c1-25(2)17-35(41(50)63)58-46(68)37(20-30-22-51-24-54-30)56-39(62)23-53-47(69)40(26(3)4)60-42(64)27(5)55-45(67)36(19-29-21-52-33-14-10-9-13-31(29)33)59-44(66)34(15-16-38(49)61)57-43(65)32(48)18-28-11-7-6-8-12-28/h6-14,21-22,24-27,32,34-37,40,52H,15-20,23,48H2,1-5H3,(H2,49,61)(H2,50,63)(H,51,54)(H,53,69)(H,55,67)(H,56,62)(H,57,65)(H,58,68)(H,59,66)(H,60,64)/t27-,32+,34-,35-,36-,37-,40-/m0/s1
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27n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Gastrin-Releasing peptide


(RAT)
BDBM85506
PNG
(CAS_125988 | NSC_125988 | Rhodei-Litorin)
Show SMILES CCC(C)C(NC(=O)C1CCC(=O)N1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(C)C(=O)NC(C(C)O)C(=O)NCC(=O)NC(Cc1cnc[nH]1)C(=O)NC(Cc1ccccc1)C(=O)NC(CCSC)C(N)=O
Show InChI InChI=1S/C51H69N13O11S/c1-6-27(2)42(63-46(70)36-16-17-40(66)58-36)51(75)62-38(21-31-23-54-34-15-11-10-14-33(31)34)47(71)57-28(3)45(69)64-43(29(4)65)50(74)55-25-41(67)59-39(22-32-24-53-26-56-32)49(73)61-37(20-30-12-8-7-9-13-30)48(72)60-35(44(52)68)18-19-76-5/h7-15,23-24,26-29,35-39,42-43,54,65H,6,16-22,25H2,1-5H3,(H2,52,68)(H,53,56)(H,55,74)(H,57,71)(H,58,66)(H,59,67)(H,60,72)(H,61,73)(H,62,75)(H,63,70)(H,64,69)
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31n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Gastrin-Releasing peptide


(RAT)
BDBM85490
PNG
(DPhe6,Leu13,Psi(CH2NH),Cpa14-Bn(6-14))
Show SMILES CC(C)C[C@@H](CN[C@@H](C#N)C(N)=O)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
Show InChI InChI=1S/C50H69N15O9/c1-27(2)17-33(24-57-40(21-51)44(54)68)61-49(73)39(20-32-23-55-26-59-32)62-42(67)25-58-50(74)43(28(3)4)65-45(69)29(5)60-48(72)38(19-31-22-56-36-14-10-9-13-34(31)36)64-47(71)37(15-16-41(53)66)63-46(70)35(52)18-30-11-7-6-8-12-30/h6-14,22-23,26-29,33,35,37-40,43,56-57H,15-20,24-25,52H2,1-5H3,(H2,53,66)(H2,54,68)(H,55,59)(H,58,74)(H,60,72)(H,61,73)(H,62,67)(H,63,70)(H,64,71)(H,65,69)/t29-,33-,35+,37-,38-,39-,40-,43-/m0/s1
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42n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Gastrin-Releasing peptide


(RAT)
BDBM85497
PNG
(Alytesin | CAS_31078-12-3)
Show SMILES CSCC[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](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@@H]1CCC(=O)N1)[C@@H](C)O)C(C)C)C(N)=O
Show InChI InChI=1S/C68H106N22O17S/c1-33(2)23-46(86-61(101)43(15-12-21-74-68(71)72)82-52(94)29-76-59(99)44-17-19-51(93)81-44)60(100)77-31-54(96)89-56(37(8)91)67(107)85-45(16-18-50(69)92)62(102)88-48(25-38-27-75-41-14-11-10-13-40(38)41)63(103)80-36(7)58(98)90-55(35(5)6)66(106)78-30-53(95)83-49(26-39-28-73-32-79-39)65(105)87-47(24-34(3)4)64(104)84-42(57(70)97)20-22-108-9/h10-11,13-14,27-28,32-37,42-49,55-56,75,91H,12,15-26,29-31H2,1-9H3,(H2,69,92)(H2,70,97)(H,73,79)(H,76,99)(H,77,100)(H,78,106)(H,80,103)(H,81,93)(H,82,94)(H,83,95)(H,84,104)(H,85,107)(H,86,101)(H,87,105)(H,88,102)(H,89,96)(H,90,98)(H4,71,72,74)/t36-,37+,42-,43-,44-,45-,46-,47-,48-,49-,55-,56-/m0/s1
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62n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Gastrin-Releasing peptide


(RAT)
BDBM85482
PNG
(DPhe6-Bn(6-13)hexylamide)
Show SMILES CCCCCCNC(=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
Show InChI InChI=1S/C53H77N13O9/c1-7-8-9-15-22-57-49(71)41(23-31(2)3)64-52(74)43(26-36-28-56-30-60-36)62-45(68)29-59-53(75)46(32(4)5)66-47(69)33(6)61-51(73)42(25-35-27-58-39-19-14-13-18-37(35)39)65-50(72)40(20-21-44(55)67)63-48(70)38(54)24-34-16-11-10-12-17-34/h10-14,16-19,27-28,30-33,38,40-43,46,58H,7-9,15,20-26,29,54H2,1-6H3,(H2,55,67)(H,56,60)(H,57,71)(H,59,75)(H,61,73)(H,62,68)(H,63,70)(H,64,74)(H,65,72)(H,66,69)/t33-,38+,40-,41-,42-,43-,46-/m0/s1
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100n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Gastrin-Releasing peptide


(RAT)
BDBM50089286
PNG
(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
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127n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Gastrin-Releasing peptide


(RAT)
BDBM85492
PNG
(GRP-10,frog)
Show SMILES CSCC[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](Cc1cnc[nH]1)NC(=O)[C@H](CC(N)=O)NC(=O)CN)C(C)C)C(N)=O
Show InChI InChI=1S/C50H73N17O11S/c1-25(2)13-34(46(74)63-33(43(53)71)11-12-79-6)64-47(75)36(15-29-20-54-23-58-29)62-41(70)22-57-50(78)42(26(3)4)67-44(72)27(5)60-45(73)35(14-28-19-56-32-10-8-7-9-31(28)32)65-48(76)37(16-30-21-55-24-59-30)66-49(77)38(17-39(52)68)61-40(69)18-51/h7-10,19-21,23-27,33-38,42,56H,11-18,22,51H2,1-6H3,(H2,52,68)(H2,53,71)(H,54,58)(H,55,59)(H,57,78)(H,60,73)(H,61,69)(H,62,70)(H,63,74)(H,64,75)(H,65,76)(H,66,77)(H,67,72)/t27-,33-,34-,35-,36-,37-,38-,42-/m0/s1
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130n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Gastrin-Releasing peptide


(RAT)
BDBM50071754
PNG
((S)-2-[3-(2,6-Diisopropyl-phenyl)-ureido]-3-(1H-in...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)N[C@@](C)(Cc1c[nH]c2ccccc12)C(=O)NCC1(CCCCC1)c1ccccn1
Show InChI InChI=1S/C37H47N5O2/c1-25(2)28-15-13-16-29(26(3)4)33(28)41-35(44)42-36(5,22-27-23-39-31-17-8-7-14-30(27)31)34(43)40-24-37(19-10-6-11-20-37)32-18-9-12-21-38-32/h7-9,12-18,21,23,25-26,39H,6,10-11,19-20,22,24H2,1-5H3,(H,40,43)(H2,41,42,44)/t36-/m0/s1
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180n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Gastrin-Releasing peptide


(RAT)
BDBM50408922
PNG
(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
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225n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Gastrin-Releasing peptide


(RAT)
BDBM85483
PNG
(CAS_5748287 | NSC_5748287 | Phyllolitorin)
Show SMILES CSCCC(NC(=O)C(Cc1ccccc1)NC(=O)C(CO)NC(=O)CNC(=O)C(NC(=O)C(C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CC(C)C)NC(=O)C1CCC(=O)N1)C(C)C)C(N)=O
Show InChI InChI=1S/C49H69N11O11S/c1-26(2)20-35(57-44(66)34-16-17-39(62)54-34)46(68)59-37(22-30-23-51-32-15-11-10-14-31(30)32)45(67)53-28(5)43(65)60-41(27(3)4)49(71)52-24-40(63)55-38(25-61)48(70)58-36(21-29-12-8-7-9-13-29)47(69)56-33(42(50)64)18-19-72-6/h7-15,23,26-28,33-38,41,51,61H,16-22,24-25H2,1-6H3,(H2,50,64)(H,52,71)(H,53,67)(H,54,62)(H,55,63)(H,56,69)(H,57,66)(H,58,70)(H,59,68)(H,60,65)
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240n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Gastrin-Releasing peptide


(RAT)
BDBM50071754
PNG
((S)-2-[3-(2,6-Diisopropyl-phenyl)-ureido]-3-(1H-in...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)N[C@@](C)(Cc1c[nH]c2ccccc12)C(=O)NCC1(CCCCC1)c1ccccn1
Show InChI InChI=1S/C37H47N5O2/c1-25(2)28-15-13-16-29(26(3)4)33(28)41-35(44)42-36(5,22-27-23-39-31-17-8-7-14-30(27)31)34(43)40-24-37(19-10-6-11-20-37)32-18-9-12-21-38-32/h7-9,12-18,21,23,25-26,39H,6,10-11,19-20,22,24H2,1-5H3,(H,40,43)(H2,41,42,44)/t36-/m0/s1
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248n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Gastrin-Releasing peptide


(RAT)
BDBM50089288
PNG
(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
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300n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Gastrin-Releasing peptide


(RAT)
BDBM85487
PNG
(Leu8-phyllolitorin)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1)C(C)C)C(N)=O
Show InChI InChI=1S/C46H71N11O11S/c1-23(2)17-32(43(65)53-30(39(47)61)15-16-69-8)55-45(67)35(22-58)52-37(60)21-49-46(68)38(25(5)6)57-40(62)26(7)50-42(64)34(19-27-20-48-29-12-10-9-11-28(27)29)56-44(66)33(18-24(3)4)54-41(63)31-13-14-36(59)51-31/h9-12,20,23-26,30-35,38,48,58H,13-19,21-22H2,1-8H3,(H2,47,61)(H,49,68)(H,50,64)(H,51,59)(H,52,60)(H,53,65)(H,54,63)(H,55,67)(H,56,66)(H,57,62)/t26-,30-,31-,32-,33-,34-,35-,38-/m0/s1
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420n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Gastrin-Releasing peptide


(RAT)
BDBM85489
PNG
(DPhe6,12,Leu14-Bn)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)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](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCC(=O)N1)C(C)C)C(N)=O
Show InChI InChI=1S/C80H117N21O17/c1-42(2)33-56(68(83)107)97-76(115)58(35-44(5)6)99-78(117)60(37-48-21-14-11-15-22-48)93-66(106)41-89-79(118)67(45(7)8)101-69(108)46(9)90-75(114)61(38-49-39-87-51-24-17-16-23-50(49)51)100-74(113)55(27-30-63(82)103)96-77(116)59(36-47-19-12-10-13-20-47)92-65(105)40-88-70(109)57(34-43(3)4)98-71(110)52(25-18-32-86-80(84)85)94-73(112)54(26-29-62(81)102)95-72(111)53-28-31-64(104)91-53/h10-17,19-24,39,42-46,52-61,67,87H,18,25-38,40-41H2,1-9H3,(H2,81,102)(H2,82,103)(H2,83,107)(H,88,109)(H,89,118)(H,90,114)(H,91,104)(H,92,105)(H,93,106)(H,94,112)(H,95,111)(H,96,116)(H,97,115)(H,98,110)(H,99,117)(H,100,113)(H,101,108)(H4,84,85,86)/t46-,52-,53-,54-,55-,56-,57-,58-,59+,60-,61-,67-/m0/s1
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430n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Gastrin-Releasing peptide


(RAT)
BDBM85491
PNG
(Leu13,Psi(CH2NH),Leu14-BN)
Show SMILES CC(C)C[C@@H](CN[C@@H](CC(C)C)C(N)=O)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](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCC(=O)N1)C(C)C
Show InChI InChI=1S/C72H114N24O17/c1-35(2)23-42(31-82-49(61(76)103)24-36(3)4)87-69(111)52(27-41-30-79-34-85-41)89-59(102)33-84-71(113)60(38(7)8)96-62(104)39(9)86-68(110)51(26-40-29-81-44-14-11-10-13-43(40)44)95-67(109)48(17-20-55(74)98)93-70(112)53(28-56(75)99)90-58(101)32-83-63(105)50(25-37(5)6)94-64(106)45(15-12-22-80-72(77)78)91-66(108)47(16-19-54(73)97)92-65(107)46-18-21-57(100)88-46/h10-11,13-14,29-30,34-39,42,45-53,60,81-82H,12,15-28,31-33H2,1-9H3,(H2,73,97)(H2,74,98)(H2,75,99)(H2,76,103)(H,79,85)(H,83,105)(H,84,113)(H,86,110)(H,87,111)(H,88,100)(H,89,102)(H,90,101)(H,91,108)(H,92,107)(H,93,112)(H,94,106)(H,95,109)(H,96,104)(H4,77,78,80)/t39-,42-,45-,46-,47-,48-,49-,50-,51-,52-,53-,60-/m0/s1
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430n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Gastrin-Releasing peptide


(RAT)
BDBM85479
PNG
(DPhe6-Bn(1-13)NH2)
Show SMILES CC(C)C[C@H](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](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCC(=O)N1)C(C)C)C(N)=O
Show InChI InChI=1S/C71H104N22O16/c1-36(2)26-49(60(74)99)90-69(108)53(30-42-32-77-35-82-42)86-58(98)34-81-70(109)59(38(5)6)93-61(100)39(7)83-67(106)52(29-41-31-79-44-17-12-11-16-43(41)44)92-66(105)48(20-23-55(73)95)89-68(107)51(28-40-14-9-8-10-15-40)85-57(97)33-80-62(101)50(27-37(3)4)91-63(102)45(18-13-25-78-71(75)76)87-65(104)47(19-22-54(72)94)88-64(103)46-21-24-56(96)84-46/h8-12,14-17,31-32,35-39,45-53,59,79H,13,18-30,33-34H2,1-7H3,(H2,72,94)(H2,73,95)(H2,74,99)(H,77,82)(H,80,101)(H,81,109)(H,83,106)(H,84,96)(H,85,97)(H,86,98)(H,87,104)(H,88,103)(H,89,107)(H,90,108)(H,91,102)(H,92,105)(H,93,100)(H4,75,76,78)/t39-,45-,46-,47-,48-,49-,50-,51+,52-,53-,59-/m0/s1
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450n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Gastrin-Releasing peptide


(RAT)
BDBM50089292
PNG
(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
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
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500n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Gastrin-Releasing peptide


(RAT)
BDBM50089290
PNG
(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
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650n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Gastrin-Releasing peptide


(RAT)
BDBM85501
PNG
(DPhe6-Bn(6-13)hydrazide)
Show SMILES CC(C)C[C@H](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(=O)NN
Show InChI InChI=1S/C47H66N14O9/c1-25(2)17-35(46(69)61-50)58-45(68)37(20-30-22-51-24-54-30)56-39(63)23-53-47(70)40(26(3)4)60-41(64)27(5)55-44(67)36(19-29-21-52-33-14-10-9-13-31(29)33)59-43(66)34(15-16-38(49)62)57-42(65)32(48)18-28-11-7-6-8-12-28/h6-14,21-22,24-27,32,34-37,40,52H,15-20,23,48,50H2,1-5H3,(H2,49,62)(H,51,54)(H,53,70)(H,55,67)(H,56,63)(H,57,65)(H,58,68)(H,59,66)(H,60,64)(H,61,69)/t27-,32+,34-,35-,36-,37-,40-/m0/s1
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1.20E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Gastrin-Releasing peptide


(RAT)
BDBM50089293
PNG
(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
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2.25E+3n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Gastrin-Releasing peptide


(RAT)
BDBM85485
PNG
(DPhe6-Bn(6-13)NHN(ME)2)
Show SMILES CC(C)C[C@H](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(=O)NN(C)C
Show InChI InChI=1S/C49H70N14O9/c1-27(2)19-37(48(71)62-63(6)7)59-47(70)39(22-32-24-52-26-55-32)57-41(65)25-54-49(72)42(28(3)4)61-43(66)29(5)56-46(69)38(21-31-23-53-35-16-12-11-15-33(31)35)60-45(68)36(17-18-40(51)64)58-44(67)34(50)20-30-13-9-8-10-14-30/h8-16,23-24,26-29,34,36-39,42,53H,17-22,25,50H2,1-7H3,(H2,51,64)(H,52,55)(H,54,72)(H,56,69)(H,57,65)(H,58,67)(H,59,70)(H,60,68)(H,61,66)(H,62,71)/t29-,34+,36-,37-,38-,39-,42-/m0/s1
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3.20E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Gastrin-Releasing peptide


(RAT)
BDBM85478
PNG
(Bombesin, SAP | CAS_31362-50-2)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCC(=O)N1)C(C)C)C(N)=O
Show InChI InChI=1S/C74H108N24O19S/c1-37(2)26-49(94-72(116)54(35-99)97-66(110)48(18-21-56(76)101)92-64(108)46-19-22-58(103)87-46)63(107)84-33-59(104)89-53(30-57(77)102)71(115)93-47(17-20-55(75)100)65(109)96-51(28-40-31-83-43-15-10-9-14-42(40)43)69(113)91-45(16-11-24-82-74(79)80)67(111)98-61(38(3)4)73(117)85-34-60(105)88-52(29-41-32-81-36-86-41)70(114)95-50(27-39-12-7-6-8-13-39)68(112)90-44(62(78)106)23-25-118-5/h6-10,12-15,31-32,36-38,44-54,61,83,99H,11,16-30,33-35H2,1-5H3,(H2,75,100)(H2,76,101)(H2,77,102)(H2,78,106)(H,81,86)(H,84,107)(H,85,117)(H,87,103)(H,88,105)(H,89,104)(H,90,112)(H,91,113)(H,92,108)(H,93,115)(H,94,116)(H,95,114)(H,96,109)(H,97,110)(H,98,111)(H4,79,80,82)/t44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,61-/m0/s1
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3.20E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Gastrin-Releasing peptide


(RAT)
BDBM85504
PNG
(Substance P,[DArg1,DTrp7,9,Leu11])
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](C)N)C(N)=O
Show InChI InChI=1S/C72H101N17O13/c1-40(2)33-53(62(77)92)83-65(95)54(34-41(3)4)84-67(97)57(37-45-39-79-49-22-12-10-20-47(45)49)87-66(96)55(35-43-17-7-6-8-18-43)85-68(98)56(36-44-38-78-48-21-11-9-19-46(44)48)86-64(94)50(26-28-60(75)90)80-63(93)51(27-29-61(76)91)81-69(99)59-25-16-32-89(59)72(102)52(23-13-14-30-73)82-70(100)58-24-15-31-88(58)71(101)42(5)74/h6-12,17-22,38-42,50-59,78-79H,13-16,23-37,73-74H2,1-5H3,(H2,75,90)(H2,76,91)(H2,77,92)(H,80,93)(H,81,99)(H,82,100)(H,83,95)(H,84,97)(H,85,98)(H,86,94)(H,87,96)/t42-,50+,51+,52+,53+,54+,55+,56-,57+,58+,59+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Gastrin-Releasing peptide


(RAT)
BDBM85505
PNG
(Substance P(4-11),[Dpro4,Dtrp7,9,10])
Show SMILES CSCC[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1)C(N)=O
Show InChI InChI=1S/C62H74N14O10S/c1-87-27-25-45(55(65)79)70-60(84)50(29-36-32-67-42-17-8-5-14-39(36)42)76-62(86)52(31-38-34-69-44-19-10-7-16-41(38)44)75-59(83)49(28-35-12-3-2-4-13-35)73-61(85)51(30-37-33-68-43-18-9-6-15-40(37)43)74-58(82)48(22-24-54(64)78)72-57(81)47(21-23-53(63)77)71-56(80)46-20-11-26-66-46/h2-10,12-19,32-34,45-52,66-69H,11,20-31H2,1H3,(H2,63,77)(H2,64,78)(H2,65,79)(H,70,84)(H,71,80)(H,72,81)(H,73,85)(H,74,82)(H,75,83)(H,76,86)/t45-,46-,47-,48-,49-,50+,51+,52+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Gastrin-Releasing peptide


(RAT)
BDBM50063814
PNG
(CHEMBL217438 | Dnal,Cys,Tyr,DTrp,Lys,Val,Cys,Nal-n...)
Show SMILES CC(C)[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(N)=O)NC(=O)[C@H](N)Cc1ccc2ccccc2c1
Show InChI InChI=1S/C63H73N11O9S2/c1-36(2)55-63(83)73-54(61(81)69-50(56(66)76)31-39-19-23-41-12-4-6-14-43(41)28-39)35-85-84-34-53(72-57(77)47(65)29-38-18-22-40-11-3-5-13-42(40)27-38)62(82)70-51(30-37-20-24-45(75)25-21-37)59(79)71-52(32-44-33-67-48-16-8-7-15-46(44)48)60(80)68-49(58(78)74-55)17-9-10-26-64/h3-8,11-16,18-25,27-28,33,36,47,49-55,67,75H,9-10,17,26,29-32,34-35,64-65H2,1-2H3,(H2,66,76)(H,68,80)(H,69,81)(H,70,82)(H,71,79)(H,72,77)(H,73,83)(H,74,78)/t47-,49-,50+,51-,52+,53-,54+,55+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by PDSP Ki Database




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Ligand-Target Pair
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