Found 259 hits Enz. Inhib. hit(s) with Target = 'Gastrin-releasing peptide receptor' 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) | 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
KEGG
UniProtKB/SwissProt
GoogleScholar
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) | 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
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
KEGG
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
(Homo sapiens (Human)) | BDBM50071733
(CHEMBL413196 | Compound GRP)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)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C(C)C)[C@@H](C)O)C(C)C)[C@@H](C)O)C(C)C)C(O)=O Show InChI InChI=1S/C130H203N37O32S2/c1-65(2)47-86(114(183)154-85(129(198)199)39-46-201-18)155-115(184)89(52-77-56-136-63-145-77)149-101(175)62-144-122(191)104(69(9)10)162-109(178)72(14)147-113(182)88(51-76-55-139-81-28-20-19-27-80(76)81)156-116(185)90(53-78-57-137-64-146-78)157-117(186)91(54-97(132)171)150-100(174)61-143-110(179)82(30-23-41-138-130(134)135)152-120(189)95-32-25-43-166(95)127(196)93(50-75-34-36-79(170)37-35-75)159-112(181)84(38-45-200-17)151-111(180)83(29-21-22-40-131)153-124(193)107(74(16)169)164-118(187)87(48-66(3)4)158-123(192)105(70(11)12)163-125(194)106(73(15)168)161-102(176)60-141-98(172)58-140-99(173)59-142-108(177)71(13)148-119(188)94-31-24-42-165(94)126(195)92(49-67(5)6)160-121(190)96-33-26-44-167(96)128(197)103(133)68(7)8/h19-20,27-28,34-37,55-57,63-74,82-96,103-107,139,168-170H,21-26,29-33,38-54,58-62,131,133H2,1-18H3,(H2,132,171)(H,136,145)(H,137,146)(H,140,173)(H,141,172)(H,142,177)(H,143,179)(H,144,191)(H,147,182)(H,148,188)(H,149,175)(H,150,174)(H,151,180)(H,152,189)(H,153,193)(H,154,183)(H,155,184)(H,156,185)(H,157,186)(H,158,192)(H,159,181)(H,160,190)(H,161,176)(H,162,178)(H,163,194)(H,164,187)(H,198,199)(H4,134,135,138)/t71-,72-,73+,74+,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,103-,104-,105-,106-,107-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cambridge University Forvie Site
Curated by ChEMBL
| Assay Description
In vitro binding affinity at Bombesin BB2 receptor in the presence of [125I]-[Tyr] bombesin. |
Bioorg Med Chem Lett 8: 2589-94 (1999)
BindingDB Entry DOI: 10.7270/Q2DB82B4 |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide receptor
(MOUSE) | BDBM85488
(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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases
Curated by PDSP Ki Database
| |
Biochemistry 38: 7307-20 (1999)
Article DOI: 10.1021/bi990204w
BindingDB Entry DOI: 10.7270/Q29022BG |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide receptor
(Homo sapiens (Human)) | BDBM85484
(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 |wU:82.92,74.81,8.12,4.4,30.31,53.61,16.23,wD:93.101,39.52,62.69,102.104,34.35,(24.84,-22.59,;25.32,-21.13,;24.29,-19.98,;24.77,-18.52,;23.74,-17.37,;24.22,-15.91,;25.72,-15.59,;26.75,-16.74,;26.2,-14.13,;27.71,-13.81,;28.74,-14.96,;30.24,-14.64,;28.26,-16.42,;25.17,-12.98,;25.65,-11.52,;27.16,-11.2,;24.62,-10.37,;25.1,-8.91,;26.61,-8.59,;27.75,-9.62,;29.09,-8.86,;28.77,-7.35,;27.24,-7.19,;23.12,-10.69,;22.09,-9.54,;22.57,-8.08,;20.58,-9.86,;19.55,-8.72,;18.04,-9.03,;17.57,-10.5,;17.02,-7.89,;15.51,-8.2,;14.48,-7.06,;14.96,-5.59,;12.97,-7.38,;12.5,-8.84,;11.95,-6.23,;10.44,-6.55,;9.96,-8.01,;9.41,-5.4,;7.9,-5.72,;7.42,-7.18,;8.32,-8.42,;7.42,-9.66,;5.97,-9.19,;4.63,-9.96,;3.3,-9.19,;3.3,-7.65,;4.63,-6.88,;5.97,-7.65,;9.89,-3.94,;8.86,-2.79,;7.35,-3.11,;9.34,-1.33,;10.85,-1.01,;11.32,.45,;12.83,.77,;13.31,2.24,;13.86,-.37,;8.31,-.18,;8.79,1.28,;10.3,1.6,;7.76,2.43,;6.25,2.11,;5.22,3.26,;3.72,2.94,;5.7,4.72,;8.24,3.89,;9.75,4.21,;10.77,3.06,;10.22,5.67,;11.73,5.99,;12.21,7.46,;11.18,8.6,;13.72,7.77,;14.74,6.63,;16.25,6.94,;17.28,5.8,;16.73,8.41,;14.19,9.24,;13.17,10.38,;11.66,10.07,;13.64,11.85,;15.15,12.17,;15.63,13.63,;17.14,13.95,;17.61,15.41,;19.12,15.73,;19.6,17.19,;20.15,14.58,;12.62,12.99,;13.09,14.46,;14.6,14.78,;12.07,15.6,;10.56,15.29,;9.53,16.43,;8.02,16.11,;7,17.26,;7.55,14.65,;12.54,17.07,;11.52,18.21,;10.01,17.9,;11.99,19.68,;11.09,20.93,;12,22.17,;13.46,21.69,;14.71,22.59,;13.46,20.15,;17.49,-6.42,;19,-6.11,;16.47,-5.28,;22.23,-17.69,;21.75,-19.16,;21.2,-16.55,)| 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 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
| 0.150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against [125 I][4Tyr]-bombesin labeled cloned human GRP(gastrin releasing peptide) receptors stably expressed in CHO cells |
Bioorg Med Chem Lett 6: 2617-2622 (1996)
Article DOI: 10.1016/0960-894X(96)00481-7
BindingDB Entry DOI: 10.7270/Q2NC61QD |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide receptor
(Homo sapiens (Human)) | BDBM85484
(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 |wU:82.92,74.81,8.12,4.4,30.31,53.61,16.23,wD:93.101,39.52,62.69,102.104,34.35,(24.84,-22.59,;25.32,-21.13,;24.29,-19.98,;24.77,-18.52,;23.74,-17.37,;24.22,-15.91,;25.72,-15.59,;26.75,-16.74,;26.2,-14.13,;27.71,-13.81,;28.74,-14.96,;30.24,-14.64,;28.26,-16.42,;25.17,-12.98,;25.65,-11.52,;27.16,-11.2,;24.62,-10.37,;25.1,-8.91,;26.61,-8.59,;27.75,-9.62,;29.09,-8.86,;28.77,-7.35,;27.24,-7.19,;23.12,-10.69,;22.09,-9.54,;22.57,-8.08,;20.58,-9.86,;19.55,-8.72,;18.04,-9.03,;17.57,-10.5,;17.02,-7.89,;15.51,-8.2,;14.48,-7.06,;14.96,-5.59,;12.97,-7.38,;12.5,-8.84,;11.95,-6.23,;10.44,-6.55,;9.96,-8.01,;9.41,-5.4,;7.9,-5.72,;7.42,-7.18,;8.32,-8.42,;7.42,-9.66,;5.97,-9.19,;4.63,-9.96,;3.3,-9.19,;3.3,-7.65,;4.63,-6.88,;5.97,-7.65,;9.89,-3.94,;8.86,-2.79,;7.35,-3.11,;9.34,-1.33,;10.85,-1.01,;11.32,.45,;12.83,.77,;13.31,2.24,;13.86,-.37,;8.31,-.18,;8.79,1.28,;10.3,1.6,;7.76,2.43,;6.25,2.11,;5.22,3.26,;3.72,2.94,;5.7,4.72,;8.24,3.89,;9.75,4.21,;10.77,3.06,;10.22,5.67,;11.73,5.99,;12.21,7.46,;11.18,8.6,;13.72,7.77,;14.74,6.63,;16.25,6.94,;17.28,5.8,;16.73,8.41,;14.19,9.24,;13.17,10.38,;11.66,10.07,;13.64,11.85,;15.15,12.17,;15.63,13.63,;17.14,13.95,;17.61,15.41,;19.12,15.73,;19.6,17.19,;20.15,14.58,;12.62,12.99,;13.09,14.46,;14.6,14.78,;12.07,15.6,;10.56,15.29,;9.53,16.43,;8.02,16.11,;7,17.26,;7.55,14.65,;12.54,17.07,;11.52,18.21,;10.01,17.9,;11.99,19.68,;11.09,20.93,;12,22.17,;13.46,21.69,;14.71,22.59,;13.46,20.15,;17.49,-6.42,;19,-6.11,;16.47,-5.28,;22.23,-17.69,;21.75,-19.16,;21.2,-16.55,)| 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 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| PubMed
| 0.150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cambridge University Forvie Site
Curated by ChEMBL
| Assay Description
In vitro binding affinity at Bombesin BB2 receptor in the presence of [125I]-[Tyr] bombesin. |
Bioorg Med Chem Lett 8: 2589-94 (1999)
BindingDB Entry DOI: 10.7270/Q2DB82B4 |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide receptor
(MOUSE) | BDBM85488
(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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases
Curated by PDSP Ki Database
| |
Biochemistry 38: 7307-20 (1999)
Article DOI: 10.1021/bi990204w
BindingDB Entry DOI: 10.7270/Q29022BG |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide receptor
(MOUSE) | BDBM85488
(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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| PC cid
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| 0.240 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases
Curated by PDSP Ki Database
| |
Biochemistry 38: 7307-20 (1999)
Article DOI: 10.1021/bi990204w
BindingDB Entry DOI: 10.7270/Q29022BG |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide receptor
(MOUSE) | BDBM85488
(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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| PC cid
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| 0.260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases
Curated by PDSP Ki Database
| |
Biochemistry 38: 7307-20 (1999)
Article DOI: 10.1021/bi990204w
BindingDB Entry DOI: 10.7270/Q29022BG |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide receptor
(Homo sapiens (Human)) | BDBM50066009
(CHEMBL3401466)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)CN1CCC(CC1)NC(=O)Cn1cc(C[N+](C)(C)C[B-](F)(F)F)nn1)C(C)C)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(N)=O |r| Show InChI InChI=1S/C70H104BF3N20O13/c1-40(2)25-52(57(95)30-59(97)83-53(64(76)101)26-41(3)4)87-69(106)56(29-47-32-77-39-80-47)84-60(98)33-79-70(107)63(42(5)6)89-65(102)43(7)81-67(104)55(28-45-31-78-50-18-14-13-17-49(45)50)88-66(103)51(19-20-58(75)96)86-68(105)54(27-44-15-11-10-12-16-44)85-61(99)35-92-23-21-46(22-24-92)82-62(100)36-93-34-48(90-91-93)37-94(8,9)38-71(72,73)74/h10-18,31-32,34,39-43,46,51-57,63,78,95H,19-30,33,35-38H2,1-9H3,(H2,75,96)(H2,76,101)(H,77,80)(H,79,107)(H,81,104)(H,82,100)(H,83,97)(H,84,98)(H,85,99)(H,86,105)(H,87,106)(H,88,103)(H,89,102)/t43-,51-,52-,53-,54+,55-,56-,57-,63-/m0/s1 | PDB
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| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
BC Cancer Agency
Curated by ChEMBL
| Assay Description
Displacement of [125I-Tyr4]bombesin from GRPR (unknown origin) expressed in human PC3 cells after 45 mins by gamma counting analysis |
Bioorg Med Chem 23: 1500-6 (2015)
Article DOI: 10.1016/j.bmc.2015.02.009
BindingDB Entry DOI: 10.7270/Q27H1M8C |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide receptor
(Homo sapiens (Human)) | BDBM50071744
(AcBB(7-14) | CHEMBL314375)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(C)=O)C(C)C)C(N)=O Show InChI InChI=1S/C45H67N13O10S/c1-23(2)16-33(43(66)55-31(39(47)62)14-15-69-7)56-44(67)35(18-28-20-48-22-51-28)54-37(61)21-50-45(68)38(24(3)4)58-40(63)25(5)52-42(65)34(17-27-19-49-30-11-9-8-10-29(27)30)57-41(64)32(53-26(6)59)12-13-36(46)60/h8-11,19-20,22-25,31-35,38,49H,12-18,21H2,1-7H3,(H2,46,60)(H2,47,62)(H,48,51)(H,50,68)(H,52,65)(H,53,59)(H,54,61)(H,55,66)(H,56,67)(H,57,64)(H,58,63)/t25-,31-,32-,33-,34-,35-,38-/m0/s1 | PDB
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| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cambridge University Forvie Site
Curated by ChEMBL
| Assay Description
In vitro binding affinity at Bombesin BB2 receptor in the presence of [125I]-[Tyr] bombesin. |
Bioorg Med Chem Lett 8: 2589-94 (1999)
BindingDB Entry DOI: 10.7270/Q2DB82B4 |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide receptor
(Homo sapiens (Human)) | BDBM50288252
(Bombesin analogue | CHEMBL269432)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(O)=O Show InChI InChI=1S/C51H72N10O12/c1-28(2)20-36(54-47(68)40(24-34-25-52-27-53-34)56-45(66)38(22-32-12-9-8-10-13-32)57-49(70)42-14-11-19-61(42)31(7)63)44(65)55-37(21-29(3)4)48(69)60-43(30(5)6)50(71)58-39(23-33-15-17-35(64)18-16-33)46(67)59-41(26-62)51(72)73/h8-10,12-13,15-18,25,27-30,36-43,62,64H,11,14,19-24,26H2,1-7H3,(H,52,53)(H,54,68)(H,55,65)(H,56,66)(H,57,70)(H,58,71)(H,59,67)(H,60,69)(H,72,73)/t36-,37-,38-,39-,40-,41-,42-,43-/m0/s1 | PDB
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| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against [125 I][4Tyr]-bombesin labeled cloned human GRP(gastrin releasing peptide) receptors stably expressed in CHO cells |
Bioorg Med Chem Lett 6: 2617-2622 (1996)
Article DOI: 10.1016/0960-894X(96)00481-7
BindingDB Entry DOI: 10.7270/Q2NC61QD |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide receptor
(RAT) | BDBM85480
((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 | PDB
KEGG
UniProtKB/SwissProt
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| PC cid
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| 0.740 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases
Curated by PDSP Ki Database
| |
Biochemistry 38: 7307-20 (1999)
Article DOI: 10.1021/bi990204w
BindingDB Entry DOI: 10.7270/Q29022BG |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide receptor
(RAT) | BDBM85500
(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 |wU:85.96,77.85,8.16,4.4,33.35,56.65,19.27,wD:96.105,42.56,65.73,105.108,37.39,(24.84,-22.59,;25.32,-21.13,;24.29,-19.98,;24.77,-18.52,;23.74,-17.37,;24.22,-15.91,;25.72,-15.59,;26.75,-16.74,;26.2,-14.13,;27.71,-13.81,;28.74,-14.96,;28.74,-16.5,;30.07,-17.27,;31.4,-16.5,;31.4,-14.96,;30.07,-14.19,;25.17,-12.98,;25.65,-11.52,;27.16,-11.2,;24.62,-10.37,;25.1,-8.91,;26.61,-8.59,;27.75,-9.62,;29.09,-8.86,;28.77,-7.35,;27.24,-7.19,;23.12,-10.69,;22.09,-9.54,;22.57,-8.08,;20.58,-9.86,;19.55,-8.72,;18.04,-9.03,;17.57,-10.5,;17.02,-7.89,;15.51,-8.2,;14.48,-7.06,;14.96,-5.59,;12.97,-7.38,;12.5,-8.84,;11.95,-6.23,;10.44,-6.55,;9.96,-8.01,;9.41,-5.4,;7.9,-5.72,;7.42,-7.18,;8.32,-8.42,;7.42,-9.66,;5.97,-9.19,;4.63,-9.96,;3.3,-9.19,;3.3,-7.65,;4.63,-6.88,;5.97,-7.65,;9.89,-3.94,;8.86,-2.79,;7.35,-3.11,;9.34,-1.33,;10.85,-1.01,;11.32,.45,;12.83,.77,;13.31,2.24,;13.86,-.37,;8.31,-.18,;8.79,1.28,;10.3,1.6,;7.76,2.43,;6.25,2.11,;5.22,3.26,;3.72,2.94,;5.7,4.72,;8.24,3.89,;9.75,4.21,;10.77,3.06,;10.22,5.67,;11.73,5.99,;12.21,7.46,;11.18,8.6,;13.72,7.77,;14.74,6.63,;16.25,6.94,;17.28,5.8,;16.73,8.41,;14.19,9.24,;13.17,10.38,;11.66,10.07,;13.64,11.85,;15.15,12.17,;15.63,13.63,;17.14,13.95,;17.62,15.41,;19.12,15.73,;19.6,17.19,;20.15,14.58,;12.62,12.99,;13.09,14.46,;14.6,14.78,;12.07,15.6,;10.56,15.29,;9.53,16.43,;8.02,16.11,;7,17.26,;7.55,14.65,;12.54,17.07,;11.52,18.21,;10.01,17.9,;11.99,19.68,;11.09,20.93,;12,22.17,;13.46,21.69,;14.71,22.59,;13.46,20.15,;17.5,-6.42,;19,-6.11,;16.47,-5.28,;22.23,-17.69,;21.75,-19.16,;21.2,-16.55,)| 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 | PDB
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| PC cid
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| 0.770 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases
Curated by PDSP Ki Database
| |
Biochemistry 38: 7307-20 (1999)
Article DOI: 10.1021/bi990204w
BindingDB Entry DOI: 10.7270/Q29022BG |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide receptor
(RAT) | BDBM85488
(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 | PDB
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| 0.990 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases
Curated by PDSP Ki Database
| |
Biochemistry 38: 7307-20 (1999)
Article DOI: 10.1021/bi990204w
BindingDB Entry DOI: 10.7270/Q29022BG |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide receptor
(Homo sapiens (Human)) | BDBM50275902
(CHEMBL525577 | D-Phe-Gln-Trp-Ala-Val-b-Ala-His-Phe...)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 |r| 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+/m1/s1 | PDB
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| 0.990 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity to gastrin releasing peptide receptor (unknown origin) |
Bioorg Med Chem Lett 18: 5451-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.033
BindingDB Entry DOI: 10.7270/Q2H9952R |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide receptor
(Homo sapiens (Human)) | BDBM50071739
((S)-3-(1H-Indol-3-yl)-N-[1-(5-methoxy-pyridin-2-yl...)Show SMILES COc1ccc(nc1)C1(CNC(=O)[C@](C)(Cc2c[nH]c3ccccc23)NC(=O)Nc2ccc(cc2)[N+]([O-])=O)CCCCC1 Show InChI InChI=1S/C32H36N6O5/c1-31(18-22-19-33-27-9-5-4-8-26(22)27,37-30(40)36-23-10-12-24(13-11-23)38(41)42)29(39)35-21-32(16-6-3-7-17-32)28-15-14-25(43-2)20-34-28/h4-5,8-15,19-20,33H,3,6-7,16-18,21H2,1-2H3,(H,35,39)(H2,36,37,40)/t31-/m0/s1 | PDB
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UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Similars
| PDB
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cambridge University Forvie Site
Curated by ChEMBL
| Assay Description
Antagonistic activity against cloned human Bombesin receptor bb2 labeled with [125I]- [Tyr] bombesin stably expressed in CHO cells; 0.66-1.3 |
Bioorg Med Chem Lett 8: 2589-94 (1999)
BindingDB Entry DOI: 10.7270/Q2DB82B4 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Gastrin-releasing peptide receptor
(MOUSE) | BDBM85484
(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 |wU:82.92,74.81,8.12,4.4,30.31,53.61,16.23,wD:93.101,39.52,62.69,102.104,34.35,(24.84,-22.59,;25.32,-21.13,;24.29,-19.98,;24.77,-18.52,;23.74,-17.37,;24.22,-15.91,;25.72,-15.59,;26.75,-16.74,;26.2,-14.13,;27.71,-13.81,;28.74,-14.96,;30.24,-14.64,;28.26,-16.42,;25.17,-12.98,;25.65,-11.52,;27.16,-11.2,;24.62,-10.37,;25.1,-8.91,;26.61,-8.59,;27.75,-9.62,;29.09,-8.86,;28.77,-7.35,;27.24,-7.19,;23.12,-10.69,;22.09,-9.54,;22.57,-8.08,;20.58,-9.86,;19.55,-8.72,;18.04,-9.03,;17.57,-10.5,;17.02,-7.89,;15.51,-8.2,;14.48,-7.06,;14.96,-5.59,;12.97,-7.38,;12.5,-8.84,;11.95,-6.23,;10.44,-6.55,;9.96,-8.01,;9.41,-5.4,;7.9,-5.72,;7.42,-7.18,;8.32,-8.42,;7.42,-9.66,;5.97,-9.19,;4.63,-9.96,;3.3,-9.19,;3.3,-7.65,;4.63,-6.88,;5.97,-7.65,;9.89,-3.94,;8.86,-2.79,;7.35,-3.11,;9.34,-1.33,;10.85,-1.01,;11.32,.45,;12.83,.77,;13.31,2.24,;13.86,-.37,;8.31,-.18,;8.79,1.28,;10.3,1.6,;7.76,2.43,;6.25,2.11,;5.22,3.26,;3.72,2.94,;5.7,4.72,;8.24,3.89,;9.75,4.21,;10.77,3.06,;10.22,5.67,;11.73,5.99,;12.21,7.46,;11.18,8.6,;13.72,7.77,;14.74,6.63,;16.25,6.94,;17.28,5.8,;16.73,8.41,;14.19,9.24,;13.17,10.38,;11.66,10.07,;13.64,11.85,;15.15,12.17,;15.63,13.63,;17.14,13.95,;17.61,15.41,;19.12,15.73,;19.6,17.19,;20.15,14.58,;12.62,12.99,;13.09,14.46,;14.6,14.78,;12.07,15.6,;10.56,15.29,;9.53,16.43,;8.02,16.11,;7,17.26,;7.55,14.65,;12.54,17.07,;11.52,18.21,;10.01,17.9,;11.99,19.68,;11.09,20.93,;12,22.17,;13.46,21.69,;14.71,22.59,;13.46,20.15,;17.49,-6.42,;19,-6.11,;16.47,-5.28,;22.23,-17.69,;21.75,-19.16,;21.2,-16.55,)| 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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases
Curated by PDSP Ki Database
| |
Biochemistry 38: 7307-20 (1999)
Article DOI: 10.1021/bi990204w
BindingDB Entry DOI: 10.7270/Q29022BG |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide receptor
(MOUSE) | BDBM85481
(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 |(76.66,-17.73,;77.14,-16.27,;76.11,-15.12,;76.59,-13.66,;75.56,-12.51,;76.04,-11.05,;77.54,-10.73,;78.57,-11.88,;78.02,-9.27,;79.53,-8.95,;80.56,-10.1,;82.07,-9.78,;80.08,-11.56,;76.99,-8.12,;77.47,-6.66,;78.98,-6.34,;76.44,-5.51,;76.92,-4.05,;78.43,-3.73,;79.06,-2.33,;80.59,-2.49,;80.91,-4,;79.57,-4.76,;74.94,-5.83,;73.91,-4.68,;74.39,-3.22,;72.4,-5,;71.37,-3.86,;69.87,-4.17,;69.39,-5.64,;68.84,-3.03,;67.33,-3.34,;66.3,-2.2,;66.78,-.73,;64.8,-2.52,;64.32,-3.98,;63.77,-1.37,;62.26,-1.69,;61.78,-3.15,;61.23,-.54,;59.73,-.86,;59.25,-2.32,;60.15,-3.56,;59.25,-4.8,;57.79,-4.33,;56.46,-5.1,;55.12,-4.33,;55.12,-2.79,;56.46,-2.02,;57.79,-2.79,;61.71,.92,;60.68,2.07,;59.18,1.75,;61.16,3.53,;62.67,3.85,;63.15,5.31,;64.61,5.79,;64.61,7.33,;63.15,7.81,;62.24,6.56,;60.13,4.68,;58.62,4.36,;58.15,2.9,;57.6,5.51,;58.07,6.97,;57.05,8.12,;57.52,9.58,;55.54,7.8,;56.09,5.19,;55.61,3.73,;56.64,2.58,;54.1,3.41,;53.63,1.94,;52.12,1.63,;51.09,2.77,;51.64,.16,;52.67,-.98,;52.19,-2.45,;53.22,-3.59,;52.74,-5.06,;53.77,-6.2,;53.29,-7.67,;55.28,-5.89,;50.13,-.15,;49.66,-1.62,;50.68,-2.76,;48.15,-1.94,;47.52,-3.34,;45.99,-3.18,;45.67,-1.67,;47.01,-.9,;47.17,.63,;48.58,1.25,;45.92,1.54,;46.09,3.07,;44.84,3.97,;43.44,3.35,;42.19,4.26,;42.36,5.79,;41.11,6.7,;43.76,6.41,;45.01,5.51,;44.52,.91,;43.41,-.16,;43.78,-1.65,;41.93,.27,;41.56,1.77,;40.08,2.19,;39.71,3.69,;38.23,4.12,;40.82,-.8,;39.34,-.37,;38.97,1.13,;38.23,-1.44,;38.6,-2.93,;37.49,-4,;37.86,-5.5,;36.75,-6.56,;37.12,-8.06,;36.75,-1.01,;35.64,-2.08,;36.01,-3.57,;34.16,-1.65,;33.05,-2.72,;31.57,-2.29,;31.2,-.8,;30.46,-3.36,;30.83,-4.86,;29.72,-5.92,;30.09,-7.42,;28.24,-5.5,;28.98,-2.93,;28.61,-1.44,;29.72,-.37,;27.13,-1.01,;26.76,.48,;25.28,.91,;24.17,-.16,;24.91,2.41,;23.43,2.83,;23.06,4.33,;24.17,5.4,;21.58,4.75,;21.21,6.25,;19.73,6.68,;18.62,5.61,;19.36,8.17,;17.88,8.6,;17.51,10.09,;18.62,11.16,;16.03,10.52,;15.66,12.02,;14.18,12.44,;13.07,11.37,;13.81,13.94,;14.92,15.01,;12.33,14.36,;11.96,15.86,;13.07,16.93,;10.48,16.29,;9.96,17.73,;8.42,17.68,;7.99,16.2,;9.27,15.34,;9.32,13.8,;10.68,13.08,;8.01,12.99,;6.65,13.71,;5.35,12.9,;3.99,13.62,;5.4,11.36,;8.06,11.45,;9.42,10.72,;10.73,11.54,;9.47,9.18,;10.75,8.32,;10.32,6.84,;8.78,6.79,;8.26,8.24,;6.78,8.66,;6.41,10.16,;5.67,7.6,;6.04,6.1,;4.19,8.02,;3.08,6.96,;3.82,9.52,;26.02,3.47,;27.5,3.05,;25.65,4.97,;26.02,-2.08,;24.54,-1.65,;26.39,-3.57,;33.79,-.16,;34.9,.91,;32.31,.27,;69.32,-1.56,;70.82,-1.25,;68.29,-.42,;74.05,-12.83,;73.57,-14.3,;73.02,-11.69,)| 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) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases
Curated by PDSP Ki Database
| |
Biochemistry 38: 7307-20 (1999)
Article DOI: 10.1021/bi990204w
BindingDB Entry DOI: 10.7270/Q29022BG |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide receptor
(MOUSE) | BDBM85484
(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 |wU:82.92,74.81,8.12,4.4,30.31,53.61,16.23,wD:93.101,39.52,62.69,102.104,34.35,(24.84,-22.59,;25.32,-21.13,;24.29,-19.98,;24.77,-18.52,;23.74,-17.37,;24.22,-15.91,;25.72,-15.59,;26.75,-16.74,;26.2,-14.13,;27.71,-13.81,;28.74,-14.96,;30.24,-14.64,;28.26,-16.42,;25.17,-12.98,;25.65,-11.52,;27.16,-11.2,;24.62,-10.37,;25.1,-8.91,;26.61,-8.59,;27.75,-9.62,;29.09,-8.86,;28.77,-7.35,;27.24,-7.19,;23.12,-10.69,;22.09,-9.54,;22.57,-8.08,;20.58,-9.86,;19.55,-8.72,;18.04,-9.03,;17.57,-10.5,;17.02,-7.89,;15.51,-8.2,;14.48,-7.06,;14.96,-5.59,;12.97,-7.38,;12.5,-8.84,;11.95,-6.23,;10.44,-6.55,;9.96,-8.01,;9.41,-5.4,;7.9,-5.72,;7.42,-7.18,;8.32,-8.42,;7.42,-9.66,;5.97,-9.19,;4.63,-9.96,;3.3,-9.19,;3.3,-7.65,;4.63,-6.88,;5.97,-7.65,;9.89,-3.94,;8.86,-2.79,;7.35,-3.11,;9.34,-1.33,;10.85,-1.01,;11.32,.45,;12.83,.77,;13.31,2.24,;13.86,-.37,;8.31,-.18,;8.79,1.28,;10.3,1.6,;7.76,2.43,;6.25,2.11,;5.22,3.26,;3.72,2.94,;5.7,4.72,;8.24,3.89,;9.75,4.21,;10.77,3.06,;10.22,5.67,;11.73,5.99,;12.21,7.46,;11.18,8.6,;13.72,7.77,;14.74,6.63,;16.25,6.94,;17.28,5.8,;16.73,8.41,;14.19,9.24,;13.17,10.38,;11.66,10.07,;13.64,11.85,;15.15,12.17,;15.63,13.63,;17.14,13.95,;17.61,15.41,;19.12,15.73,;19.6,17.19,;20.15,14.58,;12.62,12.99,;13.09,14.46,;14.6,14.78,;12.07,15.6,;10.56,15.29,;9.53,16.43,;8.02,16.11,;7,17.26,;7.55,14.65,;12.54,17.07,;11.52,18.21,;10.01,17.9,;11.99,19.68,;11.09,20.93,;12,22.17,;13.46,21.69,;14.71,22.59,;13.46,20.15,;17.49,-6.42,;19,-6.11,;16.47,-5.28,;22.23,-17.69,;21.75,-19.16,;21.2,-16.55,)| 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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases
Curated by PDSP Ki Database
| |
Biochemistry 38: 7307-20 (1999)
Article DOI: 10.1021/bi990204w
BindingDB Entry DOI: 10.7270/Q29022BG |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide receptor
(MOUSE) | BDBM85484
(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 |wU:82.92,74.81,8.12,4.4,30.31,53.61,16.23,wD:93.101,39.52,62.69,102.104,34.35,(24.84,-22.59,;25.32,-21.13,;24.29,-19.98,;24.77,-18.52,;23.74,-17.37,;24.22,-15.91,;25.72,-15.59,;26.75,-16.74,;26.2,-14.13,;27.71,-13.81,;28.74,-14.96,;30.24,-14.64,;28.26,-16.42,;25.17,-12.98,;25.65,-11.52,;27.16,-11.2,;24.62,-10.37,;25.1,-8.91,;26.61,-8.59,;27.75,-9.62,;29.09,-8.86,;28.77,-7.35,;27.24,-7.19,;23.12,-10.69,;22.09,-9.54,;22.57,-8.08,;20.58,-9.86,;19.55,-8.72,;18.04,-9.03,;17.57,-10.5,;17.02,-7.89,;15.51,-8.2,;14.48,-7.06,;14.96,-5.59,;12.97,-7.38,;12.5,-8.84,;11.95,-6.23,;10.44,-6.55,;9.96,-8.01,;9.41,-5.4,;7.9,-5.72,;7.42,-7.18,;8.32,-8.42,;7.42,-9.66,;5.97,-9.19,;4.63,-9.96,;3.3,-9.19,;3.3,-7.65,;4.63,-6.88,;5.97,-7.65,;9.89,-3.94,;8.86,-2.79,;7.35,-3.11,;9.34,-1.33,;10.85,-1.01,;11.32,.45,;12.83,.77,;13.31,2.24,;13.86,-.37,;8.31,-.18,;8.79,1.28,;10.3,1.6,;7.76,2.43,;6.25,2.11,;5.22,3.26,;3.72,2.94,;5.7,4.72,;8.24,3.89,;9.75,4.21,;10.77,3.06,;10.22,5.67,;11.73,5.99,;12.21,7.46,;11.18,8.6,;13.72,7.77,;14.74,6.63,;16.25,6.94,;17.28,5.8,;16.73,8.41,;14.19,9.24,;13.17,10.38,;11.66,10.07,;13.64,11.85,;15.15,12.17,;15.63,13.63,;17.14,13.95,;17.61,15.41,;19.12,15.73,;19.6,17.19,;20.15,14.58,;12.62,12.99,;13.09,14.46,;14.6,14.78,;12.07,15.6,;10.56,15.29,;9.53,16.43,;8.02,16.11,;7,17.26,;7.55,14.65,;12.54,17.07,;11.52,18.21,;10.01,17.9,;11.99,19.68,;11.09,20.93,;12,22.17,;13.46,21.69,;14.71,22.59,;13.46,20.15,;17.49,-6.42,;19,-6.11,;16.47,-5.28,;22.23,-17.69,;21.75,-19.16,;21.2,-16.55,)| 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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases
Curated by PDSP Ki Database
| |
Biochemistry 38: 7307-20 (1999)
Article DOI: 10.1021/bi990204w
BindingDB Entry DOI: 10.7270/Q29022BG |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide receptor
(MOUSE) | BDBM85481
(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 |(76.66,-17.73,;77.14,-16.27,;76.11,-15.12,;76.59,-13.66,;75.56,-12.51,;76.04,-11.05,;77.54,-10.73,;78.57,-11.88,;78.02,-9.27,;79.53,-8.95,;80.56,-10.1,;82.07,-9.78,;80.08,-11.56,;76.99,-8.12,;77.47,-6.66,;78.98,-6.34,;76.44,-5.51,;76.92,-4.05,;78.43,-3.73,;79.06,-2.33,;80.59,-2.49,;80.91,-4,;79.57,-4.76,;74.94,-5.83,;73.91,-4.68,;74.39,-3.22,;72.4,-5,;71.37,-3.86,;69.87,-4.17,;69.39,-5.64,;68.84,-3.03,;67.33,-3.34,;66.3,-2.2,;66.78,-.73,;64.8,-2.52,;64.32,-3.98,;63.77,-1.37,;62.26,-1.69,;61.78,-3.15,;61.23,-.54,;59.73,-.86,;59.25,-2.32,;60.15,-3.56,;59.25,-4.8,;57.79,-4.33,;56.46,-5.1,;55.12,-4.33,;55.12,-2.79,;56.46,-2.02,;57.79,-2.79,;61.71,.92,;60.68,2.07,;59.18,1.75,;61.16,3.53,;62.67,3.85,;63.15,5.31,;64.61,5.79,;64.61,7.33,;63.15,7.81,;62.24,6.56,;60.13,4.68,;58.62,4.36,;58.15,2.9,;57.6,5.51,;58.07,6.97,;57.05,8.12,;57.52,9.58,;55.54,7.8,;56.09,5.19,;55.61,3.73,;56.64,2.58,;54.1,3.41,;53.63,1.94,;52.12,1.63,;51.09,2.77,;51.64,.16,;52.67,-.98,;52.19,-2.45,;53.22,-3.59,;52.74,-5.06,;53.77,-6.2,;53.29,-7.67,;55.28,-5.89,;50.13,-.15,;49.66,-1.62,;50.68,-2.76,;48.15,-1.94,;47.52,-3.34,;45.99,-3.18,;45.67,-1.67,;47.01,-.9,;47.17,.63,;48.58,1.25,;45.92,1.54,;46.09,3.07,;44.84,3.97,;43.44,3.35,;42.19,4.26,;42.36,5.79,;41.11,6.7,;43.76,6.41,;45.01,5.51,;44.52,.91,;43.41,-.16,;43.78,-1.65,;41.93,.27,;41.56,1.77,;40.08,2.19,;39.71,3.69,;38.23,4.12,;40.82,-.8,;39.34,-.37,;38.97,1.13,;38.23,-1.44,;38.6,-2.93,;37.49,-4,;37.86,-5.5,;36.75,-6.56,;37.12,-8.06,;36.75,-1.01,;35.64,-2.08,;36.01,-3.57,;34.16,-1.65,;33.05,-2.72,;31.57,-2.29,;31.2,-.8,;30.46,-3.36,;30.83,-4.86,;29.72,-5.92,;30.09,-7.42,;28.24,-5.5,;28.98,-2.93,;28.61,-1.44,;29.72,-.37,;27.13,-1.01,;26.76,.48,;25.28,.91,;24.17,-.16,;24.91,2.41,;23.43,2.83,;23.06,4.33,;24.17,5.4,;21.58,4.75,;21.21,6.25,;19.73,6.68,;18.62,5.61,;19.36,8.17,;17.88,8.6,;17.51,10.09,;18.62,11.16,;16.03,10.52,;15.66,12.02,;14.18,12.44,;13.07,11.37,;13.81,13.94,;14.92,15.01,;12.33,14.36,;11.96,15.86,;13.07,16.93,;10.48,16.29,;9.96,17.73,;8.42,17.68,;7.99,16.2,;9.27,15.34,;9.32,13.8,;10.68,13.08,;8.01,12.99,;6.65,13.71,;5.35,12.9,;3.99,13.62,;5.4,11.36,;8.06,11.45,;9.42,10.72,;10.73,11.54,;9.47,9.18,;10.75,8.32,;10.32,6.84,;8.78,6.79,;8.26,8.24,;6.78,8.66,;6.41,10.16,;5.67,7.6,;6.04,6.1,;4.19,8.02,;3.08,6.96,;3.82,9.52,;26.02,3.47,;27.5,3.05,;25.65,4.97,;26.02,-2.08,;24.54,-1.65,;26.39,-3.57,;33.79,-.16,;34.9,.91,;32.31,.27,;69.32,-1.56,;70.82,-1.25,;68.29,-.42,;74.05,-12.83,;73.57,-14.3,;73.02,-11.69,)| 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) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.52 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases
Curated by PDSP Ki Database
| |
Biochemistry 38: 7307-20 (1999)
Article DOI: 10.1021/bi990204w
BindingDB Entry DOI: 10.7270/Q29022BG |
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
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 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
(MOUSE) | BDBM85481
(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 |(76.66,-17.73,;77.14,-16.27,;76.11,-15.12,;76.59,-13.66,;75.56,-12.51,;76.04,-11.05,;77.54,-10.73,;78.57,-11.88,;78.02,-9.27,;79.53,-8.95,;80.56,-10.1,;82.07,-9.78,;80.08,-11.56,;76.99,-8.12,;77.47,-6.66,;78.98,-6.34,;76.44,-5.51,;76.92,-4.05,;78.43,-3.73,;79.06,-2.33,;80.59,-2.49,;80.91,-4,;79.57,-4.76,;74.94,-5.83,;73.91,-4.68,;74.39,-3.22,;72.4,-5,;71.37,-3.86,;69.87,-4.17,;69.39,-5.64,;68.84,-3.03,;67.33,-3.34,;66.3,-2.2,;66.78,-.73,;64.8,-2.52,;64.32,-3.98,;63.77,-1.37,;62.26,-1.69,;61.78,-3.15,;61.23,-.54,;59.73,-.86,;59.25,-2.32,;60.15,-3.56,;59.25,-4.8,;57.79,-4.33,;56.46,-5.1,;55.12,-4.33,;55.12,-2.79,;56.46,-2.02,;57.79,-2.79,;61.71,.92,;60.68,2.07,;59.18,1.75,;61.16,3.53,;62.67,3.85,;63.15,5.31,;64.61,5.79,;64.61,7.33,;63.15,7.81,;62.24,6.56,;60.13,4.68,;58.62,4.36,;58.15,2.9,;57.6,5.51,;58.07,6.97,;57.05,8.12,;57.52,9.58,;55.54,7.8,;56.09,5.19,;55.61,3.73,;56.64,2.58,;54.1,3.41,;53.63,1.94,;52.12,1.63,;51.09,2.77,;51.64,.16,;52.67,-.98,;52.19,-2.45,;53.22,-3.59,;52.74,-5.06,;53.77,-6.2,;53.29,-7.67,;55.28,-5.89,;50.13,-.15,;49.66,-1.62,;50.68,-2.76,;48.15,-1.94,;47.52,-3.34,;45.99,-3.18,;45.67,-1.67,;47.01,-.9,;47.17,.63,;48.58,1.25,;45.92,1.54,;46.09,3.07,;44.84,3.97,;43.44,3.35,;42.19,4.26,;42.36,5.79,;41.11,6.7,;43.76,6.41,;45.01,5.51,;44.52,.91,;43.41,-.16,;43.78,-1.65,;41.93,.27,;41.56,1.77,;40.08,2.19,;39.71,3.69,;38.23,4.12,;40.82,-.8,;39.34,-.37,;38.97,1.13,;38.23,-1.44,;38.6,-2.93,;37.49,-4,;37.86,-5.5,;36.75,-6.56,;37.12,-8.06,;36.75,-1.01,;35.64,-2.08,;36.01,-3.57,;34.16,-1.65,;33.05,-2.72,;31.57,-2.29,;31.2,-.8,;30.46,-3.36,;30.83,-4.86,;29.72,-5.92,;30.09,-7.42,;28.24,-5.5,;28.98,-2.93,;28.61,-1.44,;29.72,-.37,;27.13,-1.01,;26.76,.48,;25.28,.91,;24.17,-.16,;24.91,2.41,;23.43,2.83,;23.06,4.33,;24.17,5.4,;21.58,4.75,;21.21,6.25,;19.73,6.68,;18.62,5.61,;19.36,8.17,;17.88,8.6,;17.51,10.09,;18.62,11.16,;16.03,10.52,;15.66,12.02,;14.18,12.44,;13.07,11.37,;13.81,13.94,;14.92,15.01,;12.33,14.36,;11.96,15.86,;13.07,16.93,;10.48,16.29,;9.96,17.73,;8.42,17.68,;7.99,16.2,;9.27,15.34,;9.32,13.8,;10.68,13.08,;8.01,12.99,;6.65,13.71,;5.35,12.9,;3.99,13.62,;5.4,11.36,;8.06,11.45,;9.42,10.72,;10.73,11.54,;9.47,9.18,;10.75,8.32,;10.32,6.84,;8.78,6.79,;8.26,8.24,;6.78,8.66,;6.41,10.16,;5.67,7.6,;6.04,6.1,;4.19,8.02,;3.08,6.96,;3.82,9.52,;26.02,3.47,;27.5,3.05,;25.65,4.97,;26.02,-2.08,;24.54,-1.65,;26.39,-3.57,;33.79,-.16,;34.9,.91,;32.31,.27,;69.32,-1.56,;70.82,-1.25,;68.29,-.42,;74.05,-12.83,;73.57,-14.3,;73.02,-11.69,)| 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) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.74 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases
Curated by PDSP Ki Database
| |
Biochemistry 38: 7307-20 (1999)
Article DOI: 10.1021/bi990204w
BindingDB Entry DOI: 10.7270/Q29022BG |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide receptor
(MOUSE) | BDBM85484
(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 |wU:82.92,74.81,8.12,4.4,30.31,53.61,16.23,wD:93.101,39.52,62.69,102.104,34.35,(24.84,-22.59,;25.32,-21.13,;24.29,-19.98,;24.77,-18.52,;23.74,-17.37,;24.22,-15.91,;25.72,-15.59,;26.75,-16.74,;26.2,-14.13,;27.71,-13.81,;28.74,-14.96,;30.24,-14.64,;28.26,-16.42,;25.17,-12.98,;25.65,-11.52,;27.16,-11.2,;24.62,-10.37,;25.1,-8.91,;26.61,-8.59,;27.75,-9.62,;29.09,-8.86,;28.77,-7.35,;27.24,-7.19,;23.12,-10.69,;22.09,-9.54,;22.57,-8.08,;20.58,-9.86,;19.55,-8.72,;18.04,-9.03,;17.57,-10.5,;17.02,-7.89,;15.51,-8.2,;14.48,-7.06,;14.96,-5.59,;12.97,-7.38,;12.5,-8.84,;11.95,-6.23,;10.44,-6.55,;9.96,-8.01,;9.41,-5.4,;7.9,-5.72,;7.42,-7.18,;8.32,-8.42,;7.42,-9.66,;5.97,-9.19,;4.63,-9.96,;3.3,-9.19,;3.3,-7.65,;4.63,-6.88,;5.97,-7.65,;9.89,-3.94,;8.86,-2.79,;7.35,-3.11,;9.34,-1.33,;10.85,-1.01,;11.32,.45,;12.83,.77,;13.31,2.24,;13.86,-.37,;8.31,-.18,;8.79,1.28,;10.3,1.6,;7.76,2.43,;6.25,2.11,;5.22,3.26,;3.72,2.94,;5.7,4.72,;8.24,3.89,;9.75,4.21,;10.77,3.06,;10.22,5.67,;11.73,5.99,;12.21,7.46,;11.18,8.6,;13.72,7.77,;14.74,6.63,;16.25,6.94,;17.28,5.8,;16.73,8.41,;14.19,9.24,;13.17,10.38,;11.66,10.07,;13.64,11.85,;15.15,12.17,;15.63,13.63,;17.14,13.95,;17.61,15.41,;19.12,15.73,;19.6,17.19,;20.15,14.58,;12.62,12.99,;13.09,14.46,;14.6,14.78,;12.07,15.6,;10.56,15.29,;9.53,16.43,;8.02,16.11,;7,17.26,;7.55,14.65,;12.54,17.07,;11.52,18.21,;10.01,17.9,;11.99,19.68,;11.09,20.93,;12,22.17,;13.46,21.69,;14.71,22.59,;13.46,20.15,;17.49,-6.42,;19,-6.11,;16.47,-5.28,;22.23,-17.69,;21.75,-19.16,;21.2,-16.55,)| 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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.76 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases
Curated by PDSP Ki Database
| |
Biochemistry 38: 7307-20 (1999)
Article DOI: 10.1021/bi990204w
BindingDB Entry DOI: 10.7270/Q29022BG |
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
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 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) | BDBM85499
(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) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases
Curated by PDSP Ki Database
| |
Biochemistry 38: 7307-20 (1999)
Article DOI: 10.1021/bi990204w
BindingDB Entry DOI: 10.7270/Q29022BG |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide receptor
(RAT) | BDBM85486
(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 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases
Curated by PDSP Ki Database
| |
Biochemistry 38: 7307-20 (1999)
Article DOI: 10.1021/bi990204w
BindingDB Entry DOI: 10.7270/Q29022BG |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide receptor
(MOUSE) | BDBM85481
(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 |(76.66,-17.73,;77.14,-16.27,;76.11,-15.12,;76.59,-13.66,;75.56,-12.51,;76.04,-11.05,;77.54,-10.73,;78.57,-11.88,;78.02,-9.27,;79.53,-8.95,;80.56,-10.1,;82.07,-9.78,;80.08,-11.56,;76.99,-8.12,;77.47,-6.66,;78.98,-6.34,;76.44,-5.51,;76.92,-4.05,;78.43,-3.73,;79.06,-2.33,;80.59,-2.49,;80.91,-4,;79.57,-4.76,;74.94,-5.83,;73.91,-4.68,;74.39,-3.22,;72.4,-5,;71.37,-3.86,;69.87,-4.17,;69.39,-5.64,;68.84,-3.03,;67.33,-3.34,;66.3,-2.2,;66.78,-.73,;64.8,-2.52,;64.32,-3.98,;63.77,-1.37,;62.26,-1.69,;61.78,-3.15,;61.23,-.54,;59.73,-.86,;59.25,-2.32,;60.15,-3.56,;59.25,-4.8,;57.79,-4.33,;56.46,-5.1,;55.12,-4.33,;55.12,-2.79,;56.46,-2.02,;57.79,-2.79,;61.71,.92,;60.68,2.07,;59.18,1.75,;61.16,3.53,;62.67,3.85,;63.15,5.31,;64.61,5.79,;64.61,7.33,;63.15,7.81,;62.24,6.56,;60.13,4.68,;58.62,4.36,;58.15,2.9,;57.6,5.51,;58.07,6.97,;57.05,8.12,;57.52,9.58,;55.54,7.8,;56.09,5.19,;55.61,3.73,;56.64,2.58,;54.1,3.41,;53.63,1.94,;52.12,1.63,;51.09,2.77,;51.64,.16,;52.67,-.98,;52.19,-2.45,;53.22,-3.59,;52.74,-5.06,;53.77,-6.2,;53.29,-7.67,;55.28,-5.89,;50.13,-.15,;49.66,-1.62,;50.68,-2.76,;48.15,-1.94,;47.52,-3.34,;45.99,-3.18,;45.67,-1.67,;47.01,-.9,;47.17,.63,;48.58,1.25,;45.92,1.54,;46.09,3.07,;44.84,3.97,;43.44,3.35,;42.19,4.26,;42.36,5.79,;41.11,6.7,;43.76,6.41,;45.01,5.51,;44.52,.91,;43.41,-.16,;43.78,-1.65,;41.93,.27,;41.56,1.77,;40.08,2.19,;39.71,3.69,;38.23,4.12,;40.82,-.8,;39.34,-.37,;38.97,1.13,;38.23,-1.44,;38.6,-2.93,;37.49,-4,;37.86,-5.5,;36.75,-6.56,;37.12,-8.06,;36.75,-1.01,;35.64,-2.08,;36.01,-3.57,;34.16,-1.65,;33.05,-2.72,;31.57,-2.29,;31.2,-.8,;30.46,-3.36,;30.83,-4.86,;29.72,-5.92,;30.09,-7.42,;28.24,-5.5,;28.98,-2.93,;28.61,-1.44,;29.72,-.37,;27.13,-1.01,;26.76,.48,;25.28,.91,;24.17,-.16,;24.91,2.41,;23.43,2.83,;23.06,4.33,;24.17,5.4,;21.58,4.75,;21.21,6.25,;19.73,6.68,;18.62,5.61,;19.36,8.17,;17.88,8.6,;17.51,10.09,;18.62,11.16,;16.03,10.52,;15.66,12.02,;14.18,12.44,;13.07,11.37,;13.81,13.94,;14.92,15.01,;12.33,14.36,;11.96,15.86,;13.07,16.93,;10.48,16.29,;9.96,17.73,;8.42,17.68,;7.99,16.2,;9.27,15.34,;9.32,13.8,;10.68,13.08,;8.01,12.99,;6.65,13.71,;5.35,12.9,;3.99,13.62,;5.4,11.36,;8.06,11.45,;9.42,10.72,;10.73,11.54,;9.47,9.18,;10.75,8.32,;10.32,6.84,;8.78,6.79,;8.26,8.24,;6.78,8.66,;6.41,10.16,;5.67,7.6,;6.04,6.1,;4.19,8.02,;3.08,6.96,;3.82,9.52,;26.02,3.47,;27.5,3.05,;25.65,4.97,;26.02,-2.08,;24.54,-1.65,;26.39,-3.57,;33.79,-.16,;34.9,.91,;32.31,.27,;69.32,-1.56,;70.82,-1.25,;68.29,-.42,;74.05,-12.83,;73.57,-14.3,;73.02,-11.69,)| 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) | PDB
Reactome pathway
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| PC cid
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| Article
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| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases
Curated by PDSP Ki Database
| |
Biochemistry 38: 7307-20 (1999)
Article DOI: 10.1021/bi990204w
BindingDB Entry DOI: 10.7270/Q29022BG |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide receptor
(RAT) | BDBM85502
(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 | PDB
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| PC cid
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| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases
Curated by PDSP Ki Database
| |
Biochemistry 38: 7307-20 (1999)
Article DOI: 10.1021/bi990204w
BindingDB Entry DOI: 10.7270/Q29022BG |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide receptor
(RAT) | BDBM50089285
(CHEMBL415110 | JMV 1799)Show SMILES COC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)CN1CCCCC(NC(=O)C(C)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(CCC(N)=O)NC(=O)CCc2ccc(O)cc2)C1=O Show InChI InChI=1S/C49H65N11O11/c1-28(2)21-40(49(70)71-4)59-47(68)39(23-32-25-51-27-53-32)56-43(64)26-60-20-8-7-11-37(48(60)69)57-44(65)29(3)54-46(67)38(22-31-24-52-35-10-6-5-9-34(31)35)58-45(66)36(17-18-41(50)62)55-42(63)19-14-30-12-15-33(61)16-13-30/h5-6,9-10,12-13,15-16,24-25,27-29,36-40,52,61H,7-8,11,14,17-23,26H2,1-4H3,(H2,50,62)(H,51,53)(H,54,67)(H,55,63)(H,56,64)(H,57,65)(H,58,66)(H,59,68) | PDB
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| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS-Universités Montpellier I & II
Curated by ChEMBL
| Assay Description
In vitro binding affinity against bombesin / GRP receptors on rat pancreatic acini. |
J Med Chem 43: 2356-61 (2000)
BindingDB Entry DOI: 10.7270/Q21J990K |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide receptor
(RAT) | BDBM50089282
((D)Phe-Gln-Trp-Ala-Val-Gly-His-Leu-Leu-NH2 | CHEMB...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(N)=O Show InChI InChI=1S/C53H76N14O10/c1-28(2)19-39(46(56)70)64-51(75)40(20-29(3)4)65-52(76)42(23-34-25-57-27-60-34)62-44(69)26-59-53(77)45(30(5)6)67-47(71)31(7)61-50(74)41(22-33-24-58-37-16-12-11-15-35(33)37)66-49(73)38(17-18-43(55)68)63-48(72)36(54)21-32-13-9-8-10-14-32/h8-16,24-25,27-31,36,38-42,45,58H,17-23,26,54H2,1-7H3,(H2,55,68)(H2,56,70)(H,57,60)(H,59,77)(H,61,74)(H,62,69)(H,63,72)(H,64,75)(H,65,76)(H,66,73)(H,67,71)/t31-,36-,38-,39-,40-,41-,42-,45-/m0/s1 | PDB
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| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS-Universités Montpellier I & II
Curated by ChEMBL
| Assay Description
In vitro binding affinity against bombesin / GRP receptors on rat pancreatic acini. |
J Med Chem 43: 2356-61 (2000)
BindingDB Entry DOI: 10.7270/Q21J990K |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide receptor
(Homo sapiens (Human)) | BDBM50071743
((S)-3-(1H-Indol-3-yl)-N-[1-(4-methoxy-phenyl)-cycl...)Show SMILES COc1ccc(cc1)C1(CNC(=O)[C@](C)(Cc2c[nH]c3ccccc23)NC(=O)Nc2ccc(cc2)[N+]([O-])=O)CCCCC1 Show InChI InChI=1S/C33H37N5O5/c1-32(20-23-21-34-29-9-5-4-8-28(23)29,37-31(40)36-25-12-14-26(15-13-25)38(41)42)30(39)35-22-33(18-6-3-7-19-33)24-10-16-27(43-2)17-11-24/h4-5,8-17,21,34H,3,6-7,18-20,22H2,1-2H3,(H,35,39)(H2,36,37,40)/t32-/m0/s1 | PDB
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| 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cambridge University Forvie Site
Curated by ChEMBL
| Assay Description
In vitro binding affinity at Bombesin BB2 receptor in the presence of [125I]-[Tyr] bombesin. |
Bioorg Med Chem Lett 8: 2589-94 (1999)
BindingDB Entry DOI: 10.7270/Q2DB82B4 |
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) | BDBM85484
(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 |wU:82.92,74.81,8.12,4.4,30.31,53.61,16.23,wD:93.101,39.52,62.69,102.104,34.35,(24.84,-22.59,;25.32,-21.13,;24.29,-19.98,;24.77,-18.52,;23.74,-17.37,;24.22,-15.91,;25.72,-15.59,;26.75,-16.74,;26.2,-14.13,;27.71,-13.81,;28.74,-14.96,;30.24,-14.64,;28.26,-16.42,;25.17,-12.98,;25.65,-11.52,;27.16,-11.2,;24.62,-10.37,;25.1,-8.91,;26.61,-8.59,;27.75,-9.62,;29.09,-8.86,;28.77,-7.35,;27.24,-7.19,;23.12,-10.69,;22.09,-9.54,;22.57,-8.08,;20.58,-9.86,;19.55,-8.72,;18.04,-9.03,;17.57,-10.5,;17.02,-7.89,;15.51,-8.2,;14.48,-7.06,;14.96,-5.59,;12.97,-7.38,;12.5,-8.84,;11.95,-6.23,;10.44,-6.55,;9.96,-8.01,;9.41,-5.4,;7.9,-5.72,;7.42,-7.18,;8.32,-8.42,;7.42,-9.66,;5.97,-9.19,;4.63,-9.96,;3.3,-9.19,;3.3,-7.65,;4.63,-6.88,;5.97,-7.65,;9.89,-3.94,;8.86,-2.79,;7.35,-3.11,;9.34,-1.33,;10.85,-1.01,;11.32,.45,;12.83,.77,;13.31,2.24,;13.86,-.37,;8.31,-.18,;8.79,1.28,;10.3,1.6,;7.76,2.43,;6.25,2.11,;5.22,3.26,;3.72,2.94,;5.7,4.72,;8.24,3.89,;9.75,4.21,;10.77,3.06,;10.22,5.67,;11.73,5.99,;12.21,7.46,;11.18,8.6,;13.72,7.77,;14.74,6.63,;16.25,6.94,;17.28,5.8,;16.73,8.41,;14.19,9.24,;13.17,10.38,;11.66,10.07,;13.64,11.85,;15.15,12.17,;15.63,13.63,;17.14,13.95,;17.61,15.41,;19.12,15.73,;19.6,17.19,;20.15,14.58,;12.62,12.99,;13.09,14.46,;14.6,14.78,;12.07,15.6,;10.56,15.29,;9.53,16.43,;8.02,16.11,;7,17.26,;7.55,14.65,;12.54,17.07,;11.52,18.21,;10.01,17.9,;11.99,19.68,;11.09,20.93,;12,22.17,;13.46,21.69,;14.71,22.59,;13.46,20.15,;17.49,-6.42,;19,-6.11,;16.47,-5.28,;22.23,-17.69,;21.75,-19.16,;21.2,-16.55,)| 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 | PDB
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| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases
Curated by PDSP Ki Database
| |
Biochemistry 38: 7307-20 (1999)
Article DOI: 10.1021/bi990204w
BindingDB Entry DOI: 10.7270/Q29022BG |
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
(Homo sapiens (Human)) | BDBM50071742
((S)-N-[1-(4-Ethoxy-phenyl)-cyclohexylmethyl]-3-(1H...)Show SMILES CCOc1ccc(cc1)C1(CNC(=O)[C@](C)(Cc2c[nH]c3ccccc23)NC(=O)Nc2ccc(cc2)[N+]([O-])=O)CCCCC1 Show InChI InChI=1S/C34H39N5O5/c1-3-44-28-17-11-25(12-18-28)34(19-7-4-8-20-34)23-36-31(40)33(2,21-24-22-35-30-10-6-5-9-29(24)30)38-32(41)37-26-13-15-27(16-14-26)39(42)43/h5-6,9-18,22,35H,3-4,7-8,19-21,23H2,1-2H3,(H,36,40)(H2,37,38,41)/t33-/m0/s1 | PDB
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Cambridge University Forvie Site
Curated by ChEMBL
| Assay Description
In vitro binding affinity at Bombesin BB2 receptor in the presence of [125I]-[Tyr] bombesin. |
Bioorg Med Chem Lett 8: 2589-94 (1999)
BindingDB Entry DOI: 10.7270/Q2DB82B4 |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide receptor
(RAT) | BDBM85495
(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 | PDB
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National Institute of Diabetes and Digestive and Kidney Diseases
Curated by PDSP Ki Database
| |
Biochemistry 38: 7307-20 (1999)
Article DOI: 10.1021/bi990204w
BindingDB Entry DOI: 10.7270/Q29022BG |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide receptor
(RAT) | BDBM85498
(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) | PDB
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| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases
Curated by PDSP Ki Database
| |
Biochemistry 38: 7307-20 (1999)
Article DOI: 10.1021/bi990204w
BindingDB Entry DOI: 10.7270/Q29022BG |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide receptor
(RAT) | BDBM85493
(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 | PDB
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National Institute of Diabetes and Digestive and Kidney Diseases
Curated by PDSP Ki Database
| |
Biochemistry 38: 7307-20 (1999)
Article DOI: 10.1021/bi990204w
BindingDB Entry DOI: 10.7270/Q29022BG |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide receptor
(Homo sapiens (Human)) | BDBM50071750
((S)-3-(1H-Indol-3-yl)-2-methyl-N-[1-(4-nitro-pheny...)Show SMILES C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)Nc1ccc(cc1)[N+]([O-])=O)C(=O)NCC1(CCCCC1)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C32H34N6O6/c1-31(19-22-20-33-28-8-4-3-7-27(22)28,36-30(40)35-24-11-15-26(16-12-24)38(43)44)29(39)34-21-32(17-5-2-6-18-32)23-9-13-25(14-10-23)37(41)42/h3-4,7-16,20,33H,2,5-6,17-19,21H2,1H3,(H,34,39)(H2,35,36,40)/t31-/m0/s1 | PDB
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| 6.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cambridge University Forvie Site
Curated by ChEMBL
| Assay Description
In vitro binding affinity at Bombesin BB2 receptor in the presence of [125I]-[Tyr] bombesin. |
Bioorg Med Chem Lett 8: 2589-94 (1999)
BindingDB Entry DOI: 10.7270/Q2DB82B4 |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide receptor
(Homo sapiens (Human)) | BDBM50071741
((S)-N-[1-(4-Dimethylamino-phenyl)-cyclohexylmethyl...)Show SMILES CN(C)c1ccc(cc1)C1(CNC(=O)[C@](C)(Cc2c[nH]c3ccccc23)NC(=O)Nc2ccc(cc2)[N+]([O-])=O)CCCCC1 Show InChI InChI=1S/C34H40N6O4/c1-33(21-24-22-35-30-10-6-5-9-29(24)30,38-32(42)37-26-13-17-28(18-14-26)40(43)44)31(41)36-23-34(19-7-4-8-20-34)25-11-15-27(16-12-25)39(2)3/h5-6,9-18,22,35H,4,7-8,19-21,23H2,1-3H3,(H,36,41)(H2,37,38,42)/t33-/m0/s1 | PDB
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| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cambridge University Forvie Site
Curated by ChEMBL
| Assay Description
In vitro binding affinity at Bombesin BB2 receptor in the presence of [125I]-[Tyr] bombesin. |
Bioorg Med Chem Lett 8: 2589-94 (1999)
BindingDB Entry DOI: 10.7270/Q2DB82B4 |
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) | BDBM85496
(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 | PDB
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National Institute of Diabetes and Digestive and Kidney Diseases
Curated by PDSP Ki Database
| |
Biochemistry 38: 7307-20 (1999)
Article DOI: 10.1021/bi990204w
BindingDB Entry DOI: 10.7270/Q29022BG |
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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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
(Homo sapiens (Human)) | BDBM50071735
((S)-3-(1H-Indol-3-yl)-2-methyl-2-[3-(4-nitro-pheny...)Show SMILES C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)Nc1ccc(cc1)[N+]([O-])=O)C(=O)NCC1(CCCCC1)c1ccccn1 Show InChI InChI=1S/C31H34N6O4/c1-30(19-22-20-33-26-10-4-3-9-25(22)26,36-29(39)35-23-12-14-24(15-13-23)37(40)41)28(38)34-21-31(16-6-2-7-17-31)27-11-5-8-18-32-27/h3-5,8-15,18,20,33H,2,6-7,16-17,19,21H2,1H3,(H,34,38)(H2,35,36,39)/t30-/m0/s1 | PDB
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Cambridge University Forvie Site
Curated by ChEMBL
| Assay Description
In vitro binding affinity at Bombesin BB2 receptor in the presence of [125I]-[Tyr] bombesin. |
Bioorg Med Chem Lett 8: 2589-94 (1999)
BindingDB Entry DOI: 10.7270/Q2DB82B4 |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide receptor
(RAT) | BDBM85481
(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 |(76.66,-17.73,;77.14,-16.27,;76.11,-15.12,;76.59,-13.66,;75.56,-12.51,;76.04,-11.05,;77.54,-10.73,;78.57,-11.88,;78.02,-9.27,;79.53,-8.95,;80.56,-10.1,;82.07,-9.78,;80.08,-11.56,;76.99,-8.12,;77.47,-6.66,;78.98,-6.34,;76.44,-5.51,;76.92,-4.05,;78.43,-3.73,;79.06,-2.33,;80.59,-2.49,;80.91,-4,;79.57,-4.76,;74.94,-5.83,;73.91,-4.68,;74.39,-3.22,;72.4,-5,;71.37,-3.86,;69.87,-4.17,;69.39,-5.64,;68.84,-3.03,;67.33,-3.34,;66.3,-2.2,;66.78,-.73,;64.8,-2.52,;64.32,-3.98,;63.77,-1.37,;62.26,-1.69,;61.78,-3.15,;61.23,-.54,;59.73,-.86,;59.25,-2.32,;60.15,-3.56,;59.25,-4.8,;57.79,-4.33,;56.46,-5.1,;55.12,-4.33,;55.12,-2.79,;56.46,-2.02,;57.79,-2.79,;61.71,.92,;60.68,2.07,;59.18,1.75,;61.16,3.53,;62.67,3.85,;63.15,5.31,;64.61,5.79,;64.61,7.33,;63.15,7.81,;62.24,6.56,;60.13,4.68,;58.62,4.36,;58.15,2.9,;57.6,5.51,;58.07,6.97,;57.05,8.12,;57.52,9.58,;55.54,7.8,;56.09,5.19,;55.61,3.73,;56.64,2.58,;54.1,3.41,;53.63,1.94,;52.12,1.63,;51.09,2.77,;51.64,.16,;52.67,-.98,;52.19,-2.45,;53.22,-3.59,;52.74,-5.06,;53.77,-6.2,;53.29,-7.67,;55.28,-5.89,;50.13,-.15,;49.66,-1.62,;50.68,-2.76,;48.15,-1.94,;47.52,-3.34,;45.99,-3.18,;45.67,-1.67,;47.01,-.9,;47.17,.63,;48.58,1.25,;45.92,1.54,;46.09,3.07,;44.84,3.97,;43.44,3.35,;42.19,4.26,;42.36,5.79,;41.11,6.7,;43.76,6.41,;45.01,5.51,;44.52,.91,;43.41,-.16,;43.78,-1.65,;41.93,.27,;41.56,1.77,;40.08,2.19,;39.71,3.69,;38.23,4.12,;40.82,-.8,;39.34,-.37,;38.97,1.13,;38.23,-1.44,;38.6,-2.93,;37.49,-4,;37.86,-5.5,;36.75,-6.56,;37.12,-8.06,;36.75,-1.01,;35.64,-2.08,;36.01,-3.57,;34.16,-1.65,;33.05,-2.72,;31.57,-2.29,;31.2,-.8,;30.46,-3.36,;30.83,-4.86,;29.72,-5.92,;30.09,-7.42,;28.24,-5.5,;28.98,-2.93,;28.61,-1.44,;29.72,-.37,;27.13,-1.01,;26.76,.48,;25.28,.91,;24.17,-.16,;24.91,2.41,;23.43,2.83,;23.06,4.33,;24.17,5.4,;21.58,4.75,;21.21,6.25,;19.73,6.68,;18.62,5.61,;19.36,8.17,;17.88,8.6,;17.51,10.09,;18.62,11.16,;16.03,10.52,;15.66,12.02,;14.18,12.44,;13.07,11.37,;13.81,13.94,;14.92,15.01,;12.33,14.36,;11.96,15.86,;13.07,16.93,;10.48,16.29,;9.96,17.73,;8.42,17.68,;7.99,16.2,;9.27,15.34,;9.32,13.8,;10.68,13.08,;8.01,12.99,;6.65,13.71,;5.35,12.9,;3.99,13.62,;5.4,11.36,;8.06,11.45,;9.42,10.72,;10.73,11.54,;9.47,9.18,;10.75,8.32,;10.32,6.84,;8.78,6.79,;8.26,8.24,;6.78,8.66,;6.41,10.16,;5.67,7.6,;6.04,6.1,;4.19,8.02,;3.08,6.96,;3.82,9.52,;26.02,3.47,;27.5,3.05,;25.65,4.97,;26.02,-2.08,;24.54,-1.65,;26.39,-3.57,;33.79,-.16,;34.9,.91,;32.31,.27,;69.32,-1.56,;70.82,-1.25,;68.29,-.42,;74.05,-12.83,;73.57,-14.3,;73.02,-11.69,)| 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) | PDB
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National Institute of Diabetes and Digestive and Kidney Diseases
Curated by PDSP Ki Database
| |
Biochemistry 38: 7307-20 (1999)
Article DOI: 10.1021/bi990204w
BindingDB Entry DOI: 10.7270/Q29022BG |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide receptor
(RAT) | BDBM81964
(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) | PDB
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| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases
Curated by PDSP Ki Database
| |
Biochemistry 38: 7307-20 (1999)
Article DOI: 10.1021/bi990204w
BindingDB Entry DOI: 10.7270/Q29022BG |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide receptor
(RAT) | BDBM85494
(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 | PDB
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| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases
Curated by PDSP Ki Database
| |
Biochemistry 38: 7307-20 (1999)
Article DOI: 10.1021/bi990204w
BindingDB Entry DOI: 10.7270/Q29022BG |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide receptor
(RAT) | BDBM85506
(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) | PDB
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National Institute of Diabetes and Digestive and Kidney Diseases
Curated by PDSP Ki Database
| |
Biochemistry 38: 7307-20 (1999)
Article DOI: 10.1021/bi990204w
BindingDB Entry DOI: 10.7270/Q29022BG |
More data for this
Ligand-Target Pair | |
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