Found 25 hits of ic50 for UniProtKB: P30550 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Gastrin-releasing peptide receptor
(Homo sapiens (Human)) | BDBM50158698
(CHEMBL266078 | [N40,Pro1,Tyr4]BB)Show SMILES CSCCC[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](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)C1CCCN1C(=O)C(CNCCN)CNCCN)C(C)C)C(N)=O Show InChI InChI=1S/C83H130N28O19S/c1-44(2)32-58(77(125)103-54(70(89)118)15-11-31-131-6)107-78(126)61(35-50-40-94-43-99-50)101-68(117)42-98-81(129)69(45(3)4)110-71(119)46(5)100-76(124)60(34-48-39-96-53-13-8-7-12-52(48)53)109-75(123)56(21-23-64(86)113)105-79(127)62(36-66(88)115)102-67(116)41-97-72(120)59(33-47-17-19-51(112)20-18-47)108-73(121)55(14-9-27-95-83(90)91)104-74(122)57(22-24-65(87)114)106-80(128)63-16-10-30-111(63)82(130)49(37-92-28-25-84)38-93-29-26-85/h7-8,12-13,17-20,39-40,43-46,49,54-63,69,92-93,96,112H,9-11,14-16,21-38,41-42,84-85H2,1-6H3,(H2,86,113)(H2,87,114)(H2,88,115)(H2,89,118)(H,94,99)(H,97,120)(H,98,129)(H,100,124)(H,101,117)(H,102,116)(H,103,125)(H,104,122)(H,105,127)(H,106,128)(H,107,126)(H,108,121)(H,109,123)(H,110,119)(H4,90,91,95)/t46-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63?,69-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Scientific Research Demokritos
Curated by ChEMBL
| Assay Description
Displacement of [125 I-Tyr4]BB from human gastrin releasing peptide receptor expressed in PC-3 cell membranes |
J Med Chem 48: 100-10 (2005)
Article DOI: 10.1021/jm049437y
BindingDB Entry DOI: 10.7270/Q2DF6QQ6 |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide receptor
(Homo sapiens (Human)) | BDBM50158699
(CHEMBL414307 | [(N4-Bzdig)0]BB(7-14))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)COCC(=O)Nc1ccc(CC(CNCCN)CNCCN)cc1)C(C)C)C(N)=O Show InChI InChI=1S/C61H94N18O12S/c1-35(2)23-47(59(88)76-45(55(65)84)17-22-92-6)77-60(89)49(26-42-30-68-34-71-42)75-51(81)31-70-61(90)54(36(3)4)79-56(85)37(5)72-58(87)48(25-40-29-69-44-10-8-7-9-43(40)44)78-57(86)46(15-16-50(64)80)74-53(83)33-91-32-52(82)73-41-13-11-38(12-14-41)24-39(27-66-20-18-62)28-67-21-19-63/h7-14,29-30,34-37,39,45-49,54,66-67,69H,15-28,31-33,62-63H2,1-6H3,(H2,64,80)(H2,65,84)(H,68,71)(H,70,90)(H,72,87)(H,73,82)(H,74,83)(H,75,81)(H,76,88)(H,77,89)(H,78,86)(H,79,85)/t37-,45-,46-,47-,48-,49-,54-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Scientific Research Demokritos
Curated by ChEMBL
| Assay Description
Displacement of [125 I-Tyr4]BB from human gastrin releasing peptide receptor expressed in PC-3 cell membranes |
J Med Chem 48: 100-10 (2005)
Article DOI: 10.1021/jm049437y
BindingDB Entry DOI: 10.7270/Q2DF6QQ6 |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide receptor
(Homo sapiens (Human)) | BDBM50158697
(CHEMBL268222 | [N40,Pro1,Tyr4,Nle 14]BB)Show SMILES CCCCC[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](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)C1CCCN1C(=O)C(CNCCN)CNCCN)C(C)C)C(N)=O Show InChI InChI=1S/C84H132N28O19/c1-7-8-9-16-55(71(90)119)104-78(126)59(33-45(2)3)108-79(127)62(36-51-41-95-44-100-51)102-69(118)43-99-82(130)70(46(4)5)111-72(120)47(6)101-77(125)61(35-49-40-97-54-15-11-10-14-53(49)54)110-76(124)57(23-25-65(87)114)106-80(128)63(37-67(89)116)103-68(117)42-98-73(121)60(34-48-19-21-52(113)22-20-48)109-74(122)56(17-12-29-96-84(91)92)105-75(123)58(24-26-66(88)115)107-81(129)64-18-13-32-112(64)83(131)50(38-93-30-27-85)39-94-31-28-86/h10-11,14-15,19-22,40-41,44-47,50,55-64,70,93-94,97,113H,7-9,12-13,16-18,23-39,42-43,85-86H2,1-6H3,(H2,87,114)(H2,88,115)(H2,89,116)(H2,90,119)(H,95,100)(H,98,121)(H,99,130)(H,101,125)(H,102,118)(H,103,117)(H,104,126)(H,105,123)(H,106,128)(H,107,129)(H,108,127)(H,109,122)(H,110,124)(H,111,120)(H4,91,92,96)/t47-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64?,70-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.150 | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Scientific Research Demokritos
Curated by ChEMBL
| Assay Description
Displacement of [125 I-Tyr4]BB from human gastrin releasing peptide receptor expressed in PC-3 cell membranes |
J Med Chem 48: 100-10 (2005)
Article DOI: 10.1021/jm049437y
BindingDB Entry DOI: 10.7270/Q2DF6QQ6 |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide receptor
(Homo sapiens (Human)) | BDBM50158698
(CHEMBL266078 | [N40,Pro1,Tyr4]BB)Show SMILES CSCCC[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](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)C1CCCN1C(=O)C(CNCCN)CNCCN)C(C)C)C(N)=O Show InChI InChI=1S/C83H130N28O19S/c1-44(2)32-58(77(125)103-54(70(89)118)15-11-31-131-6)107-78(126)61(35-50-40-94-43-99-50)101-68(117)42-98-81(129)69(45(3)4)110-71(119)46(5)100-76(124)60(34-48-39-96-53-13-8-7-12-52(48)53)109-75(123)56(21-23-64(86)113)105-79(127)62(36-66(88)115)102-67(116)41-97-72(120)59(33-47-17-19-51(112)20-18-47)108-73(121)55(14-9-27-95-83(90)91)104-74(122)57(22-24-65(87)114)106-80(128)63-16-10-30-111(63)82(130)49(37-92-28-25-84)38-93-29-26-85/h7-8,12-13,17-20,39-40,43-46,49,54-63,69,92-93,96,112H,9-11,14-16,21-38,41-42,84-85H2,1-6H3,(H2,86,113)(H2,87,114)(H2,88,115)(H2,89,118)(H,94,99)(H,97,120)(H,98,129)(H,100,124)(H,101,117)(H,102,116)(H,103,125)(H,104,122)(H,105,127)(H,106,128)(H,107,126)(H,108,121)(H,109,123)(H,110,119)(H4,90,91,95)/t46-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63?,69-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.470 | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Scientific Research Demokritos
Curated by ChEMBL
| Assay Description
Inhibition of gastrin releasing peptide receptor expressed in human prostate cancer cells |
J Med Chem 48: 100-10 (2005)
Article DOI: 10.1021/jm049437y
BindingDB Entry DOI: 10.7270/Q2DF6QQ6 |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide receptor
(Homo sapiens (Human)) | BDBM50279041
((2S)-N1-((5S,8S,11S,17S,20S,23S,26S,29S,35S,38S)-1...)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)CCCCCNC(=O)C(CS)NC(=O)CNC(=O)CN)C(C)C)C(N)=O |r,wU:34.35,82.92,8.12,53.61,wD:93.101,39.52,74.81,30.31,62.69,16.23,4.4,(45,-28.45,;43.67,-27.66,;43.68,-26.13,;42.36,-25.34,;42.37,-23.8,;41.04,-23.02,;39.7,-23.78,;39.69,-25.32,;38.37,-23,;38.39,-21.46,;39.73,-20.7,;39.74,-19.16,;41.05,-21.48,;37.03,-23.76,;35.7,-22.98,;35.72,-21.44,;34.36,-23.74,;34.35,-25.28,;35.68,-26.06,;37.1,-25.45,;38.11,-26.6,;37.33,-27.93,;35.83,-27.6,;33.03,-22.97,;31.69,-23.72,;31.67,-25.27,;30.35,-22.95,;29.01,-23.7,;27.68,-22.93,;27.69,-21.39,;26.34,-23.68,;25.01,-22.91,;23.67,-23.66,;23.65,-25.2,;22.34,-22.89,;22.35,-21.35,;21,-23.65,;19.67,-22.86,;19.68,-21.33,;18.33,-23.62,;18.32,-25.16,;19.64,-25.95,;21.06,-25.32,;22.08,-26.48,;21.31,-27.81,;21.76,-29.28,;20.72,-30.42,;19.22,-30.09,;18.76,-28.62,;19.8,-27.48,;17,-22.84,;15.66,-23.6,;15.65,-25.14,;14.33,-22.82,;14.34,-21.28,;15.69,-20.51,;15.7,-18.97,;14.36,-18.2,;17.04,-18.22,;12.99,-23.58,;11.66,-22.8,;11.67,-21.26,;10.32,-23.55,;10.31,-25.1,;11.64,-25.88,;12.97,-25.12,;11.62,-27.42,;8.99,-22.78,;7.65,-23.54,;7.63,-25.08,;6.31,-22.77,;4.97,-23.52,;3.63,-22.76,;3.64,-21.21,;2.29,-23.51,;2.28,-25.06,;3.61,-25.84,;3.59,-27.38,;4.95,-25.08,;.97,-22.72,;-.37,-23.48,;-.39,-25.02,;-1.7,-22.7,;-1.69,-21.16,;-.35,-20.39,;-.34,-18.86,;1,-18.09,;1.02,-16.55,;-.29,-15.77,;2.36,-15.79,;-3.04,-23.46,;-4.38,-22.7,;-4.37,-21.17,;-5.71,-23.46,;-5.72,-25,;-4.4,-25.78,;-4.41,-27.32,;-3.08,-28.1,;-5.75,-28.08,;-7.03,-22.68,;-8.37,-23.45,;-8.37,-24.99,;-9.71,-22.68,;-11.05,-23.45,;-12.39,-22.68,;-13.74,-23.45,;-15.08,-22.68,;-16.43,-23.45,;-17.76,-22.68,;-17.76,-21.14,;-19.09,-23.46,;-19.1,-25,;-20.44,-25.78,;-20.42,-22.69,;-21.2,-21.35,;-20.42,-20.01,;-22.75,-21.35,;-23.52,-22.69,;-24.87,-23.45,;-26.22,-22.66,;-24.89,-25,;-23.56,-25.79,;26.33,-25.23,;27.66,-26.01,;24.99,-25.99,;43.71,-23.04,;45.04,-23.82,;43.72,-21.5,)| Show InChI InChI=1S/C79H127N27O20S2/c1-40(2)27-52(103-71(119)49(17-14-25-89-79(85)86)101-72(120)50(19-21-58(81)107)96-61(110)18-10-9-13-24-88-70(118)57(38-127)99-63(112)35-91-62(111)32-80)69(117)92-36-64(113)98-56(31-60(83)109)77(125)102-51(20-22-59(82)108)73(121)105-54(29-44-33-90-47-16-12-11-15-46(44)47)74(122)95-43(7)68(116)106-66(42(5)6)78(126)93-37-65(114)97-55(30-45-34-87-39-94-45)76(124)104-53(28-41(3)4)75(123)100-48(67(84)115)23-26-128-8/h11-12,15-16,33-34,39-43,48-57,66,90,127H,9-10,13-14,17-32,35-38,80H2,1-8H3,(H2,81,107)(H2,82,108)(H2,83,109)(H2,84,115)(H,87,94)(H,88,118)(H,91,111)(H,92,117)(H,93,126)(H,95,122)(H,96,110)(H,97,114)(H,98,113)(H,99,112)(H,100,123)(H,101,120)(H,102,125)(H,103,119)(H,104,124)(H,105,121)(H,106,116)(H4,85,86,89)/t43-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57?,66-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.590 | n/a | n/a | n/a | n/a | n/a | n/a |
Institutes of Radioisotopes-Radiodiagnostic Products and Biology
Curated by ChEMBL
| Assay Description
Displacement of [125I-Tyr4]BN form BB2 receptor in human PC3 cells |
J Med Chem 52: 4234-46 (2009)
Article DOI: 10.1021/jm900360d
BindingDB Entry DOI: 10.7270/Q2BP02PD |
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
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.600 | 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)) | BDBM50158700
(CHEMBL266079 | [(N4-Bzdig)0,Nle14]BB(7-14))Show SMILES CCCC[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)COCC(=O)Nc1ccc(CC(CNCCN)CNCCN)cc1)C(C)C)C(N)=O Show InChI InChI=1S/C62H96N18O12/c1-7-8-12-46(56(66)85)77-60(89)48(24-36(2)3)78-61(90)50(27-43-31-69-35-72-43)76-52(82)32-71-62(91)55(37(4)5)80-57(86)38(6)73-59(88)49(26-41-30-70-45-13-10-9-11-44(41)45)79-58(87)47(18-19-51(65)81)75-54(84)34-92-33-53(83)74-42-16-14-39(15-17-42)25-40(28-67-22-20-63)29-68-23-21-64/h9-11,13-17,30-31,35-38,40,46-50,55,67-68,70H,7-8,12,18-29,32-34,63-64H2,1-6H3,(H2,65,81)(H2,66,85)(H,69,72)(H,71,91)(H,73,88)(H,74,83)(H,75,84)(H,76,82)(H,77,89)(H,78,90)(H,79,87)(H,80,86)/t38-,46-,47-,48-,49-,50-,55-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Scientific Research Demokritos
Curated by ChEMBL
| Assay Description
Displacement of [125 I-Tyr4]BB from human gastrin releasing peptide receptor expressed in PC-3 cell membranes |
J Med Chem 48: 100-10 (2005)
Article DOI: 10.1021/jm049437y
BindingDB Entry DOI: 10.7270/Q2DF6QQ6 |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide receptor
(Homo sapiens (Human)) | BDBM50158699
(CHEMBL414307 | [(N4-Bzdig)0]BB(7-14))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)COCC(=O)Nc1ccc(CC(CNCCN)CNCCN)cc1)C(C)C)C(N)=O Show InChI InChI=1S/C61H94N18O12S/c1-35(2)23-47(59(88)76-45(55(65)84)17-22-92-6)77-60(89)49(26-42-30-68-34-71-42)75-51(81)31-70-61(90)54(36(3)4)79-56(85)37(5)72-58(87)48(25-40-29-69-44-10-8-7-9-43(40)44)78-57(86)46(15-16-50(64)80)74-53(83)33-91-32-52(82)73-41-13-11-38(12-14-41)24-39(27-66-20-18-62)28-67-21-19-63/h7-14,29-30,34-37,39,45-49,54,66-67,69H,15-28,31-33,62-63H2,1-6H3,(H2,64,80)(H2,65,84)(H,68,71)(H,70,90)(H,72,87)(H,73,82)(H,74,83)(H,75,81)(H,76,88)(H,77,89)(H,78,86)(H,79,85)/t37-,45-,46-,47-,48-,49-,54-/m0/s1 | PDB
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National Center for Scientific Research Demokritos
Curated by ChEMBL
| Assay Description
Inhibition of gastrin releasing peptide receptor expressed in human prostate cancer cells |
J Med Chem 48: 100-10 (2005)
Article DOI: 10.1021/jm049437y
BindingDB Entry DOI: 10.7270/Q2DF6QQ6 |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide receptor
(Homo sapiens (Human)) | BDBM50158702
(CHEMBL413893 | Universal ligand)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)Cc1ccc(O)cc1)C(C)C)C(N)=O Show InChI InChI=1S/C57H76N14O11/c1-6-7-16-42(49(60)74)66-55(80)44(25-34-13-9-8-10-14-34)69-56(81)46(27-37-29-61-30-63-37)68-50(75)32(4)65-57(82)48(31(2)3)71-51(76)33(5)64-54(79)45(26-36-28-62-41-17-12-11-15-39(36)41)70-53(78)43(22-23-47(59)73)67-52(77)40(58)24-35-18-20-38(72)21-19-35/h8-15,17-21,28-33,40,42-46,48,62,72H,6-7,16,22-27,58H2,1-5H3,(H2,59,73)(H2,60,74)(H,61,63)(H,64,79)(H,65,82)(H,66,80)(H,67,77)(H,68,75)(H,69,81)(H,70,78)(H,71,76)/t32-,33-,40-,42-,43-,44-,45-,46-,48-/m0/s1 | PDB
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National Center for Scientific Research Demokritos
Curated by ChEMBL
| Assay Description
Inhibition of gastrin releasing peptide receptor expressed in human prostate cancer cells |
J Med Chem 48: 100-10 (2005)
Article DOI: 10.1021/jm049437y
BindingDB Entry DOI: 10.7270/Q2DF6QQ6 |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide receptor
(Homo sapiens (Human)) | BDBM50158701
(CHEMBL407101 | [Tyr4]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](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)C1CCC(=O)N1)C(C)C)C(N)=O Show InChI InChI=1S/C74H108N24O19S/c1-36(2)26-50(70(114)91-45(62(78)106)23-25-118-6)95-71(115)53(29-41-32-81-35-86-41)89-60(105)34-85-73(117)61(37(3)4)98-63(107)38(5)87-69(113)52(28-40-31-83-44-11-8-7-10-43(40)44)97-68(112)49(18-21-56(76)101)94-72(116)54(30-57(77)102)90-59(104)33-84-64(108)51(27-39-13-15-42(99)16-14-39)96-65(109)46(12-9-24-82-74(79)80)92-67(111)48(17-20-55(75)100)93-66(110)47-19-22-58(103)88-47/h7-8,10-11,13-16,31-32,35-38,45-54,61,83,99H,9,12,17-30,33-34H2,1-6H3,(H2,75,100)(H2,76,101)(H2,77,102)(H2,78,106)(H,81,86)(H,84,108)(H,85,117)(H,87,113)(H,88,103)(H,89,105)(H,90,104)(H,91,114)(H,92,111)(H,93,110)(H,94,116)(H,95,115)(H,96,109)(H,97,112)(H,98,107)(H4,79,80,82)/t38-,45-,46-,47?,48-,49-,50-,51-,52-,53-,54-,61-/m0/s1 | PDB
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National Center for Scientific Research Demokritos
Curated by ChEMBL
| Assay Description
Displacement of [125 I-Tyr4]BB from human gastrin releasing peptide receptor expressed in PC-3 cell membranes |
J Med Chem 48: 100-10 (2005)
Article DOI: 10.1021/jm049437y
BindingDB Entry DOI: 10.7270/Q2DF6QQ6 |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide receptor
(Homo sapiens (Human)) | BDBM50279043
((S)-N1-((5S,8S,11S,17S,20S,23S,26S,29S,35S,38S)-11...)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](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCC(=O)N1)[C@@H](C)O)C(C)C)C(N)=O |r,wU:34.35,78.88,8.12,53.61,98.100,104.109,wD:89.97,39.52,74.77,30.31,62.69,16.23,4.4,(53.85,-12.22,;52.52,-11.43,;52.53,-9.89,;51.2,-9.11,;51.21,-7.57,;49.88,-6.79,;48.54,-7.55,;48.53,-9.09,;47.22,-6.77,;47.23,-5.23,;48.58,-4.46,;48.59,-2.93,;49.9,-5.25,;45.88,-7.53,;44.55,-6.75,;44.56,-5.21,;43.21,-7.51,;43.2,-9.05,;44.53,-9.83,;45.94,-9.22,;46.96,-10.37,;46.18,-11.7,;44.68,-11.36,;41.88,-6.74,;40.53,-7.49,;40.52,-9.03,;39.2,-6.72,;37.86,-7.47,;36.53,-6.7,;36.54,-5.15,;35.19,-7.45,;33.86,-6.68,;32.52,-7.43,;32.5,-8.97,;31.18,-6.66,;31.2,-5.12,;29.84,-7.41,;28.52,-6.63,;28.52,-5.09,;27.18,-7.39,;27.17,-8.93,;28.49,-9.72,;29.9,-9.09,;30.92,-10.25,;30.16,-11.58,;30.61,-13.05,;29.57,-14.19,;28.06,-13.86,;27.6,-12.39,;28.65,-11.25,;25.85,-6.61,;24.51,-7.36,;24.49,-8.9,;23.17,-6.59,;23.19,-5.05,;24.54,-4.28,;24.54,-2.74,;23.21,-1.97,;25.89,-1.98,;21.83,-7.35,;20.5,-6.57,;20.52,-5.02,;19.16,-7.32,;19.15,-8.87,;20.48,-9.65,;21.81,-8.89,;20.47,-11.19,;17.83,-6.55,;16.49,-7.3,;16.48,-8.85,;15.16,-6.53,;13.82,-7.29,;12.47,-6.53,;12.49,-4.98,;11.14,-7.28,;9.81,-6.49,;8.47,-7.24,;8.46,-8.78,;7.15,-6.47,;7.16,-4.93,;8.49,-4.16,;8.51,-2.62,;9.85,-1.86,;9.87,-.32,;8.55,.47,;11.2,.44,;5.81,-7.23,;4.47,-6.47,;4.47,-4.93,;3.14,-7.23,;3.12,-8.77,;4.45,-9.55,;4.43,-11.09,;5.76,-11.87,;3.09,-11.85,;1.81,-6.44,;.47,-7.2,;.45,-8.74,;-.85,-6.41,;-1,-4.88,;-2.51,-4.54,;-3.29,-5.87,;-4.82,-6.01,;-2.27,-7.03,;11.12,-8.83,;12.45,-9.6,;9.78,-9.59,;35.17,-9,;36.51,-9.78,;33.83,-9.76,;52.56,-6.81,;53.88,-7.59,;52.57,-5.27,)| Show InChI InChI=1S/C69H106N24O19S/c1-32(2)23-45(64(108)86-40(57(73)101)20-22-113-7)90-65(109)47(25-37-28-76-31-81-37)84-53(99)29-79-67(111)55(33(3)4)92-58(102)34(5)82-63(107)46(24-36-27-78-39-12-9-8-11-38(36)39)91-61(105)44(15-18-50(71)96)89-66(110)48(26-51(72)97)85-54(100)30-80-68(112)56(35(6)94)93-62(106)41(13-10-21-77-69(74)75)87-60(104)43(14-17-49(70)95)88-59(103)42-16-19-52(98)83-42/h8-9,11-12,27-28,31-35,40-48,55-56,78,94H,10,13-26,29-30H2,1-7H3,(H2,70,95)(H2,71,96)(H2,72,97)(H2,73,101)(H,76,81)(H,79,111)(H,80,112)(H,82,107)(H,83,98)(H,84,99)(H,85,100)(H,86,108)(H,87,104)(H,88,103)(H,89,110)(H,90,109)(H,91,105)(H,92,102)(H,93,106)(H4,74,75,77)/t34-,35+,40-,41-,42-,43-,44-,45-,46-,47-,48-,55-,56-/m0/s1 | PDB
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Institutes of Radioisotopes-Radiodiagnostic Products and Biology
Curated by ChEMBL
| Assay Description
Displacement of [125I-Tyr4]BN form BB2 receptor in human PC3 cells |
J Med Chem 52: 4234-46 (2009)
Article DOI: 10.1021/jm900360d
BindingDB Entry DOI: 10.7270/Q2BP02PD |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide receptor
(Homo sapiens (Human)) | BDBM50158700
(CHEMBL266079 | [(N4-Bzdig)0,Nle14]BB(7-14))Show SMILES CCCC[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)COCC(=O)Nc1ccc(CC(CNCCN)CNCCN)cc1)C(C)C)C(N)=O Show InChI InChI=1S/C62H96N18O12/c1-7-8-12-46(56(66)85)77-60(89)48(24-36(2)3)78-61(90)50(27-43-31-69-35-72-43)76-52(82)32-71-62(91)55(37(4)5)80-57(86)38(6)73-59(88)49(26-41-30-70-45-13-10-9-11-44(41)45)79-58(87)47(18-19-51(65)81)75-54(84)34-92-33-53(83)74-42-16-14-39(15-17-42)25-40(28-67-22-20-63)29-68-23-21-64/h9-11,13-17,30-31,35-38,40,46-50,55,67-68,70H,7-8,12,18-29,32-34,63-64H2,1-6H3,(H2,65,81)(H2,66,85)(H,69,72)(H,71,91)(H,73,88)(H,74,83)(H,75,84)(H,76,82)(H,77,89)(H,78,90)(H,79,87)(H,80,86)/t38-,46-,47-,48-,49-,50-,55-/m0/s1 | PDB
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National Center for Scientific Research Demokritos
Curated by ChEMBL
| Assay Description
Inhibition of gastrin releasing peptide receptor expressed in human prostate cancer cells |
J Med Chem 48: 100-10 (2005)
Article DOI: 10.1021/jm049437y
BindingDB Entry DOI: 10.7270/Q2DF6QQ6 |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide receptor
(Homo sapiens (Human)) | BDBM50279042
((2S)-N1-((5S,8S,11S,17S,20S,23S)-11-((1H-imidazol-...)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)CCCCCNC(=O)C(CS)NC(=O)CNC(=O)CN)C(C)C)C(N)=O |r| Show InChI InChI=1S/C56H87N17O13S2/c1-30(2)20-39(54(84)70-37(49(59)79)17-19-88-6)71-55(85)41(22-34-25-60-29-65-34)68-47(78)27-64-56(86)48(31(3)4)73-50(80)32(5)66-53(83)40(21-33-24-62-36-13-10-9-12-35(33)36)72-52(82)38(15-16-43(58)74)67-44(75)14-8-7-11-18-61-51(81)42(28-87)69-46(77)26-63-45(76)23-57/h9-10,12-13,24-25,29-32,37-42,48,62,87H,7-8,11,14-23,26-28,57H2,1-6H3,(H2,58,74)(H2,59,79)(H,60,65)(H,61,81)(H,63,76)(H,64,86)(H,66,83)(H,67,75)(H,68,78)(H,69,77)(H,70,84)(H,71,85)(H,72,82)(H,73,80)/t32-,37-,38-,39-,40-,41-,42?,48-/m0/s1 | PDB
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Institutes of Radioisotopes-Radiodiagnostic Products and Biology
Curated by ChEMBL
| Assay Description
Displacement of [125I-Tyr4]BN form BB2 receptor in human PC3 cells |
J Med Chem 52: 4234-46 (2009)
Article DOI: 10.1021/jm900360d
BindingDB Entry DOI: 10.7270/Q2BP02PD |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide receptor
(Homo sapiens (Human)) | BDBM50158697
(CHEMBL268222 | [N40,Pro1,Tyr4,Nle 14]BB)Show SMILES CCCCC[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](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)C1CCCN1C(=O)C(CNCCN)CNCCN)C(C)C)C(N)=O Show InChI InChI=1S/C84H132N28O19/c1-7-8-9-16-55(71(90)119)104-78(126)59(33-45(2)3)108-79(127)62(36-51-41-95-44-100-51)102-69(118)43-99-82(130)70(46(4)5)111-72(120)47(6)101-77(125)61(35-49-40-97-54-15-11-10-14-53(49)54)110-76(124)57(23-25-65(87)114)106-80(128)63(37-67(89)116)103-68(117)42-98-73(121)60(34-48-19-21-52(113)22-20-48)109-74(122)56(17-12-29-96-84(91)92)105-75(123)58(24-26-66(88)115)107-81(129)64-18-13-32-112(64)83(131)50(38-93-30-27-85)39-94-31-28-86/h10-11,14-15,19-22,40-41,44-47,50,55-64,70,93-94,97,113H,7-9,12-13,16-18,23-39,42-43,85-86H2,1-6H3,(H2,87,114)(H2,88,115)(H2,89,116)(H2,90,119)(H,95,100)(H,98,121)(H,99,130)(H,101,125)(H,102,118)(H,103,117)(H,104,126)(H,105,123)(H,106,128)(H,107,129)(H,108,127)(H,109,122)(H,110,124)(H,111,120)(H4,91,92,96)/t47-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64?,70-/m0/s1 | PDB
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National Center for Scientific Research Demokritos
Curated by ChEMBL
| Assay Description
Inhibition of gastrin releasing peptide receptor expressed in human prostate cancer cells |
J Med Chem 48: 100-10 (2005)
Article DOI: 10.1021/jm049437y
BindingDB Entry DOI: 10.7270/Q2DF6QQ6 |
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
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The Ohio State University
Curated by ChEMBL
| Assay Description
Displacement of [125I]-Tyr4-BBN from human GRPR overexpressed in human T47D cells |
Bioorg Med Chem Lett 23: 687-92 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.110
BindingDB Entry DOI: 10.7270/Q2G16246 |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide receptor
(Homo sapiens (Human)) | BDBM50441006
(CHEMBL2429987)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](CCCCNC(=O)c1ccc(F)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCC(=O)N1)C(C)C)C(N)=O |r| Show InChI InChI=1S/C78H113FN22O19S/c1-39(2)29-54(98-70(112)50(15-11-12-27-85-68(110)43-16-18-45(79)19-17-43)95-72(114)52(20-23-59(80)102)96-71(113)51-22-25-62(105)91-51)69(111)87-36-63(106)93-58(33-61(82)104)77(119)97-53(21-24-60(81)103)73(115)100-56(31-44-34-86-48-14-10-9-13-47(44)48)74(116)90-42(7)67(109)101-65(41(5)6)78(120)88-37-64(107)92-57(32-46-35-84-38-89-46)76(118)99-55(30-40(3)4)75(117)94-49(66(83)108)26-28-121-8/h9-10,13-14,16-19,34-35,38-42,49-58,65,86H,11-12,15,20-33,36-37H2,1-8H3,(H2,80,102)(H2,81,103)(H2,82,104)(H2,83,108)(H,84,89)(H,85,110)(H,87,111)(H,88,120)(H,90,116)(H,91,105)(H,92,107)(H,93,106)(H,94,117)(H,95,114)(H,96,113)(H,97,119)(H,98,112)(H,99,118)(H,100,115)(H,101,109)/t42-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,65-/m0/s1 | PDB
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Institute of Technology (ETH) Zurich
Curated by ChEMBL
| Assay Description
Displacement of [125I]-Tyr4-bombesin from GRP receptor in human PC3 cells |
J Med Chem 56: 7552-63 (2013)
Article DOI: 10.1021/jm400857f
BindingDB Entry DOI: 10.7270/Q2VX0HZF |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide receptor
(Homo sapiens (Human)) | BDBM50441004
(CHEMBL2429980)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CN(C)C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CCCCNC(=O)[C@H](CS(O)(=O)=O)NC(=O)[C@H](CS(O)(=O)=O)NC(=O)Cc1ccc(cc1)[Si](F)(C(C)(C)C)C(C)(C)C)C(C)C)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(N)=O |r| Show InChI InChI=1S/C74H115FN16O20S2Si/c1-41(2)29-52(58(92)34-62(96)84-53(65(77)98)30-42(3)4)87-70(103)55(33-47-36-78-40-81-47)85-63(97)37-91(14)72(105)64(43(5)6)90-66(99)44(7)82-69(102)54(32-46-35-80-50-20-16-15-19-49(46)50)88-68(101)51(26-27-59(76)93)83-60(94)21-17-18-28-79-67(100)56(38-112(106,107)108)89-71(104)57(39-113(109,110)111)86-61(95)31-45-22-24-48(25-23-45)114(75,73(8,9)10)74(11,12)13/h15-16,19-20,22-25,35-36,40-44,51-58,64,80,92H,17-18,21,26-34,37-39H2,1-14H3,(H2,76,93)(H2,77,98)(H,78,81)(H,79,100)(H,82,102)(H,83,94)(H,84,96)(H,85,97)(H,86,95)(H,87,103)(H,88,101)(H,89,104)(H,90,99)(H,106,107,108)(H,109,110,111)/t44-,51-,52-,53-,54-,55-,56-,57-,58-,64-/m0/s1 | PDB
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| n/a | n/a | 8.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Technology (ETH) Zurich
Curated by ChEMBL
| Assay Description
Displacement of [125I]-Tyr4-bombesin from GRP receptor in human PC3 cells after 1 hr by gamma-counting analysis |
J Med Chem 56: 7552-63 (2013)
Article DOI: 10.1021/jm400857f
BindingDB Entry DOI: 10.7270/Q2VX0HZF |
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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| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Cambridge University Forvie Site
Curated by ChEMBL
| Assay Description
Antagonistic activity against labelled Bombesin receptor bb2 binding sites in rat cerebral cortex by using [125I]- [Tyr] bombesin in presence of NMB;... |
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
(Homo sapiens (Human)) | BDBM50425231
(CHEMBL2314835)Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(=O)COCCOCCNC(=O)[C@H](CCCCNC(=O)COCC(=O)NCCOCCOCC(=O)NCC(=O)Nc1ccc(cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O)NC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r,wU:136.140,118.121,107.110,88.89,42.148,187.193,206.212,24.24,20.21,2.2,wD:128.132,102.106,79.80,175.180,198.204,217.223,9.8,4.4,(25.27,-44.93,;25.59,-43.43,;27.05,-42.95,;28.19,-43.98,;27.37,-41.45,;26.23,-40.42,;28.83,-40.98,;29.97,-42.01,;29.15,-39.48,;30.61,-39,;31.75,-40.03,;33.21,-39.56,;34.35,-40.59,;33.53,-38.06,;30.93,-37.5,;32.39,-37.03,;29.79,-36.47,;28.29,-36.79,;27.52,-35.46,;28.55,-34.32,;29.95,-34.95,;31.28,-34.18,;31.28,-32.64,;32.61,-34.95,;33.94,-34.18,;33.94,-32.65,;32.61,-31.88,;32.62,-30.34,;31.29,-29.57,;31.29,-28.04,;29.96,-27.27,;29.96,-25.74,;28.63,-28.04,;27.3,-27.27,;25.97,-28.04,;24.64,-27.27,;23.31,-28.04,;21.98,-27.27,;20.66,-28.04,;19.33,-27.27,;18,-28.04,;18,-29.58,;16.67,-27.27,;16.67,-25.74,;15.34,-24.97,;15.34,-23.44,;14.01,-22.67,;14.01,-21.13,;12.68,-20.37,;11.35,-21.13,;12.68,-18.83,;14.01,-18.07,;14.01,-16.53,;12.68,-15.76,;11.35,-16.53,;12.68,-14.23,;11.35,-13.46,;11.35,-11.93,;10.02,-11.16,;10.02,-9.62,;8.69,-8.86,;8.69,-7.32,;10.02,-6.55,;11.35,-7.32,;11.35,-8.86,;12.68,-6.55,;14.01,-7.32,;15.34,-6.55,;15.34,-5.02,;16.67,-7.32,;18,-6.52,;17.98,-4.97,;19.3,-4.19,;20.64,-4.95,;20.67,-6.48,;19.35,-7.27,;21.97,-4.16,;23.32,-4.92,;21.95,-2.62,;23.28,-1.83,;24.62,-2.59,;24.64,-4.13,;25.99,-4.88,;26.02,-6.43,;27.32,-4.1,;23.26,-.29,;21.91,.48,;24.59,.51,;24.56,2.05,;23.22,2.81,;23.2,4.36,;24.43,5.27,;23.93,6.74,;22.4,6.71,;21.36,7.83,;19.86,7.49,;19.4,6.03,;20.44,4.91,;21.94,5.24,;25.89,2.84,;27.24,2.09,;25.87,4.39,;27.2,5.17,;28.54,4.42,;27.17,6.71,;25.83,7.47,;28.5,7.49,;28.48,9.04,;27.13,9.79,;27.12,11.33,;25.81,9,;29.81,9.82,;31.16,9.07,;29.79,11.37,;31.11,12.15,;31.09,13.7,;29.74,14.45,;32.42,14.48,;32.4,16.03,;31.04,16.77,;30.81,18.3,;29.43,19.01,;29.68,20.53,;31.2,20.76,;31.9,19.39,;33.73,16.82,;35.07,16.06,;33.7,18.36,;35.03,19.15,;36.38,18.39,;37.7,19.19,;39.05,18.43,;37.68,20.72,;35.01,20.69,;33.66,21.45,;36.34,21.47,;36.31,23.02,;34.97,23.77,;34.95,25.31,;33.61,26.07,;33.58,27.61,;37.64,23.81,;37.62,25.35,;38.99,23.05,;15.34,-28.04,;14,-27.27,;14.01,-25.72,;12.66,-28.04,;12.66,-29.59,;11.61,-28.47,;10.27,-29.23,;10.7,-30.7,;9.35,-29.9,;8.01,-30.66,;7.99,-32.21,;6.68,-29.88,;9.58,-31.73,;10.34,-33.05,;11.83,-32.6,;11.8,-34.15,;10.45,-34.89,;10.41,-36.43,;9.13,-34.09,;12.89,-33.75,;14.23,-33,;13.79,-31.53,;15.11,-32.3,;16.45,-31.52,;17.79,-32.28,;16.45,-29.97,;14.9,-30.48,;14.15,-29.14,;35.27,-34.95,;35.27,-36.49,;36.6,-34.18,;37.94,-34.96,;37.94,-36.49,;39.27,-37.27,;40.6,-36.49,;41.93,-37.27,;41.93,-38.8,;43.27,-39.58,;40.6,-39.58,;39.27,-38.8,;39.27,-34.18,;39.27,-32.65,;40.6,-34.96,;41.93,-34.18,;41.93,-32.65,;43.27,-31.87,;43.27,-30.34,;44.6,-29.56,;44.6,-28.03,;43.27,-27.25,;45.94,-27.25,;43.27,-34.96,;43.27,-36.49,;44.6,-34.18,;45.94,-34.96,;45.94,-36.49,;47.27,-37.27,;47.27,-38.8,;48.61,-36.49,;47.27,-34.18,;47.27,-32.65,;48.61,-34.96,;49.94,-34.18,;49.94,-32.65,;51.27,-31.87,;51.27,-30.34,;52.6,-29.56,;52.6,-28.03,;51.27,-27.25,;53.93,-27.25,;51.27,-34.96,;51.27,-36.49,;52.6,-34.18,;53.93,-34.96,;53.93,-36.49,;55.27,-37.27,;56.61,-36.49,;57.94,-37.27,;57.94,-38.8,;59.27,-39.58,;56.61,-39.58,;55.27,-38.8,;55.27,-34.18,;56.61,-34.96,;55.27,-32.65,)| Show InChI InChI=1S/C147H227N41O40S/c1-11-88(8)126(150)143(221)182-112(71-115(149)192)145(223)188-49-20-27-113(188)142(220)176-102(134(212)180-109(68-91-30-38-97(190)39-31-91)140(218)175-104(26-19-46-163-147(155)156)135(213)178-108(66-86(4)5)139(217)174-103(25-18-45-162-146(153)154)133(211)177-106(129(152)207)67-90-28-36-96(189)37-29-90)24-15-17-43-158-119(196)80-226-62-61-225-59-48-161-132(210)101(170-118(195)76-184-50-52-185(77-123(200)201)54-56-187(79-125(204)205)57-55-186(53-51-184)78-124(202)203)23-14-16-44-159-120(197)82-228-83-121(198)160-47-58-224-60-63-227-81-122(199)165-74-116(193)169-94-34-32-92(33-35-94)131(209)173-105(40-41-114(148)191)136(214)181-110(69-93-72-164-99-22-13-12-21-98(93)99)137(215)168-89(9)130(208)183-127(87(6)7)144(222)166-75-117(194)171-111(70-95-73-157-84-167-95)141(219)179-107(65-85(2)3)138(216)172-100(128(151)206)42-64-229-10/h12-13,21-22,28-39,72-73,84-89,100-113,126-127,164,189-190H,11,14-20,23-27,40-71,74-83,150H2,1-10H3,(H2,148,191)(H2,149,192)(H2,151,206)(H2,152,207)(H,157,167)(H,158,196)(H,159,197)(H,160,198)(H,161,210)(H,165,199)(H,166,222)(H,168,215)(H,169,193)(H,170,195)(H,171,194)(H,172,216)(H,173,209)(H,174,217)(H,175,218)(H,176,220)(H,177,211)(H,178,213)(H,179,219)(H,180,212)(H,181,214)(H,182,221)(H,183,208)(H,200,201)(H,202,203)(H,204,205)(H4,153,154,162)(H4,155,156,163)/t88-,89-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,126-,127-/m0/s1 | PDB
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UniProtKB/SwissProt
antibodypedia
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PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
The Ohio State University
Curated by ChEMBL
| Assay Description
Displacement of [125I]-Tyr4-BBN from human GRPR overexpressed in human T47D cells |
Bioorg Med Chem Lett 23: 687-92 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.110
BindingDB Entry DOI: 10.7270/Q2G16246 |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide receptor
(Homo sapiens (Human)) | BDBM50441003
(CHEMBL2429981)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CN(C)C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CCCCNC(=O)[C@H](CCCNC(N)=N)NC(=O)C(O)C(O)C(=O)NCCc1ccc(cc1)[Si](F)(C(C)(C)C)C(C)(C)C)C(C)C)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(N)=O |r| Show InChI InChI=1S/C78H124FN19O16Si/c1-43(2)34-55(59(99)38-62(102)92-56(67(81)106)35-44(3)4)95-72(111)58(37-49-40-84-42-89-49)93-63(103)41-98(14)75(114)64(45(5)6)97-68(107)46(7)90-71(110)57(36-48-39-88-52-21-16-15-20-51(48)52)96-70(109)54(28-29-60(80)100)91-61(101)23-17-18-31-85-69(108)53(22-19-32-87-76(82)83)94-74(113)66(105)65(104)73(112)86-33-30-47-24-26-50(27-25-47)115(79,77(8,9)10)78(11,12)13/h15-16,20-21,24-27,39-40,42-46,53-59,64-66,88,99,104-105H,17-19,22-23,28-38,41H2,1-14H3,(H2,80,100)(H2,81,106)(H,84,89)(H,85,108)(H,86,112)(H,90,110)(H,91,101)(H,92,102)(H,93,103)(H,94,113)(H,95,111)(H,96,109)(H,97,107)(H4,82,83,87)/t46-,53-,54-,55-,56-,57-,58-,59-,64-,65?,66?/m0/s1 | PDB
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Institute of Technology (ETH) Zurich
Curated by ChEMBL
| Assay Description
Displacement of [125I]-Tyr4-bombesin from GRP receptor in human PC3 cells after 1 hr by gamma-counting analysis |
J Med Chem 56: 7552-63 (2013)
Article DOI: 10.1021/jm400857f
BindingDB Entry DOI: 10.7270/Q2VX0HZF |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide receptor
(Homo sapiens (Human)) | BDBM50441005
(CHEMBL2429964)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CN(C)C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CCCCNC(=O)[C@H](CCCN=C(N)N)NC(=O)Cc1ccc(cc1)[Si](F)(C(C)(C)C)C(C)(C)C)C(C)C)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(N)=O |r,wU:62.72,32.45,23.24,8.15,93.97,99.102,wD:46.54,4.4,27.28,(62.15,-35.4,;62.16,-33.86,;63.49,-33.09,;60.83,-33.08,;60.83,-31.54,;59.5,-30.77,;58.17,-31.53,;58.16,-33.07,;56.84,-30.75,;56.84,-29.21,;58.18,-28.45,;58.14,-26.9,;59.59,-26.39,;60.53,-27.62,;59.65,-28.88,;55.5,-31.52,;54.17,-30.74,;54.18,-29.2,;52.83,-31.5,;51.5,-30.73,;51.51,-29.19,;50.16,-31.49,;50.16,-33.03,;48.83,-30.72,;47.5,-31.48,;46.17,-30.7,;46.17,-29.16,;44.83,-31.47,;44.8,-33,;43.5,-30.69,;42.16,-31.45,;42.15,-32.99,;40.83,-30.68,;40.84,-29.14,;42.18,-28.37,;43.66,-28.8,;44.52,-27.52,;43.57,-26.32,;43.84,-24.81,;42.67,-23.81,;41.22,-24.34,;40.96,-25.85,;42.12,-26.83,;39.49,-31.44,;38.16,-30.66,;38.17,-29.12,;36.83,-31.43,;36.82,-32.97,;38.15,-33.74,;38.14,-35.28,;39.47,-36.06,;36.81,-36.05,;35.5,-30.65,;34.16,-31.42,;34.15,-32.96,;32.83,-30.64,;31.49,-31.4,;30.16,-30.63,;28.83,-31.39,;27.5,-30.61,;26.16,-31.38,;26.15,-32.92,;24.83,-30.6,;24.84,-29.06,;26.17,-28.3,;26.18,-26.76,;27.52,-25.99,;27.52,-24.45,;28.86,-23.69,;26.19,-23.68,;23.49,-31.37,;22.16,-30.59,;22.17,-29.05,;20.82,-31.35,;19.49,-30.58,;19.51,-29.04,;18.18,-28.27,;16.85,-29.04,;16.84,-30.59,;18.17,-31.35,;15.46,-28.24,;15.45,-29.77,;14.12,-29,;12.79,-28.22,;14.1,-30.54,;12.81,-29.81,;15.44,-26.7,;16.82,-25.58,;14.09,-25.95,;15.42,-25.16,;48.84,-29.18,;50.18,-28.41,;47.51,-28.4,;62.17,-30.78,;62.18,-29.24,;63.5,-31.55,;64.84,-30.79,;64.85,-29.25,;66.17,-31.57,;67.51,-30.8,;67.51,-29.26,;68.85,-28.5,;68.86,-26.96,;70.18,-29.28,;68.84,-31.58,;70.17,-30.82,;68.83,-33.12,)| Show InChI InChI=1S/C74H117FN18O13Si/c1-42(2)32-54(58(94)37-62(98)88-55(65(77)100)33-43(3)4)90-70(105)57(36-48-39-80-41-84-48)89-63(99)40-93(14)71(106)64(44(5)6)92-66(101)45(7)85-69(104)56(35-47-38-83-51-21-16-15-20-50(47)51)91-68(103)53(28-29-59(76)95)86-60(96)23-17-18-30-81-67(102)52(22-19-31-82-72(78)79)87-61(97)34-46-24-26-49(27-25-46)107(75,73(8,9)10)74(11,12)13/h15-16,20-21,24-27,38-39,41-45,52-58,64,83,94H,17-19,22-23,28-37,40H2,1-14H3,(H2,76,95)(H2,77,100)(H,80,84)(H,81,102)(H,85,104)(H,86,96)(H,87,97)(H,88,98)(H,89,99)(H,90,105)(H,91,103)(H,92,101)(H4,78,79,82)/t45-,52-,53-,54-,55-,56-,57-,58-,64-/m0/s1 | PDB
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Institute of Technology (ETH) Zurich
Curated by ChEMBL
| Assay Description
Binding affinity to GRP receptor (unknown origin) |
J Med Chem 56: 7552-63 (2013)
Article DOI: 10.1021/jm400857f
BindingDB Entry DOI: 10.7270/Q2VX0HZF |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide receptor
(Homo sapiens (Human)) | BDBM50314969
(2-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)et...)Show SMILES CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2ccccn2)[nH]1 Show InChI InChI=1S/C22H27N3/c1-4-22(2,3)15-19-16-24-21(25-19)13-10-17-8-11-18(12-9-17)20-7-5-6-14-23-20/h5-9,11-12,14,16H,4,10,13,15H2,1-3H3,(H,24,25) | PDB
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| n/a | n/a | 6.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]D-Tyr6-betaAla11-Phe13-Nle14-bombesin from human GRP-R expressed in NFAT-CHO cells after 2 hrs by scintillation counting |
Bioorg Med Chem Lett 20: 2074-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.076
BindingDB Entry DOI: 10.7270/Q2XW4JX6 |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide receptor
(Homo sapiens (Human)) | BDBM50295236
(11-(2-chloro-6-fluorophenyl)-3,3,8-trimethyl-2,3,4...)Show SMILES Cc1ccc2N=C3CC(C)(C)CC(=O)C3C(Nc2c1)c1c(F)cccc1Cl |t:5| Show InChI InChI=1S/C22H22ClFN2O/c1-12-7-8-15-16(9-12)26-21(19-13(23)5-4-6-14(19)24)20-17(25-15)10-22(2,3)11-18(20)27/h4-9,20-21,26H,10-11H2,1-3H3 | PDB
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Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition gastrin-releasing peptide receptor |
Bioorg Med Chem Lett 19: 4264-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.124
BindingDB Entry DOI: 10.7270/Q2C24WG8 |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide receptor
(Homo sapiens (Human)) | BDBM50313710
(4'-(2-(5-butyl-1H-imidazol-2-yl)-5-hydroxypentyl)b...)Show SMILES CCCCc1cnc([nH]1)C(CCCO)Cc1ccc(cc1)-c1ccccc1C(O)=O Show InChI InChI=1S/C25H30N2O3/c1-2-3-8-21-17-26-24(27-21)20(7-6-15-28)16-18-11-13-19(14-12-18)22-9-4-5-10-23(22)25(29)30/h4-5,9-14,17,20,28H,2-3,6-8,15-16H2,1H3,(H,26,27)(H,29,30) | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[D-Tyr6,beta-Ala11,Phe13,Nle14]bombesin from human bombesin BB2 receptor expressed in NFAT-CHO cells after 2 hrs by liquid sci... |
Bioorg Med Chem Lett 20: 1913-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.154
BindingDB Entry DOI: 10.7270/Q2M045KD |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide receptor
(Homo sapiens (Human)) | BDBM50336886
(1-[4-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-[4-(...)Show SMILES CC(C)(C)Cc1cnc(CC(C)(O)c2ccc(cc2)-c2ccc(F)cn2)[nH]1 Show InChI InChI=1S/C22H26FN3O/c1-21(2,3)11-18-14-25-20(26-18)12-22(4,27)16-7-5-15(6-8-16)19-10-9-17(23)13-24-19/h5-10,13-14,27H,11-12H2,1-4H3,(H,25,26) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of human GRPR |
ACS Med Chem Lett 2: 43-47 (2011)
Article DOI: 10.1021/ml100196d
BindingDB Entry DOI: 10.7270/Q26D5T81 |
More data for this
Ligand-Target Pair | |
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