Found 16 hits of ki for UniProtKB: P21729 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
(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
(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
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 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
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 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
(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
(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
(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
| 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
(MOUSE) | BDBM50071754
((S)-2-[3-(2,6-Diisopropyl-phenyl)-ureido]-3-(1H-in...)Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)N[C@@](C)(Cc1c[nH]c2ccccc12)C(=O)NCC1(CCCCC1)c1ccccn1 Show InChI InChI=1S/C37H47N5O2/c1-25(2)28-15-13-16-29(26(3)4)33(28)41-35(44)42-36(5,22-27-23-39-31-17-8-7-14-30(27)31)34(43)40-24-37(19-10-6-11-20-37)32-18-9-12-21-38-32/h7-9,12-18,21,23,25-26,39H,6,10-11,19-20,22,24H2,1-5H3,(H,40,43)(H2,41,42,44)/t36-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 100 | 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) | BDBM50071754
((S)-2-[3-(2,6-Diisopropyl-phenyl)-ureido]-3-(1H-in...)Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)N[C@@](C)(Cc1c[nH]c2ccccc12)C(=O)NCC1(CCCCC1)c1ccccn1 Show InChI InChI=1S/C37H47N5O2/c1-25(2)28-15-13-16-29(26(3)4)33(28)41-35(44)42-36(5,22-27-23-39-31-17-8-7-14-30(27)31)34(43)40-24-37(19-10-6-11-20-37)32-18-9-12-21-38-32/h7-9,12-18,21,23,25-26,39H,6,10-11,19-20,22,24H2,1-5H3,(H,40,43)(H2,41,42,44)/t36-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 127 | 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) | BDBM50071754
((S)-2-[3-(2,6-Diisopropyl-phenyl)-ureido]-3-(1H-in...)Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)N[C@@](C)(Cc1c[nH]c2ccccc12)C(=O)NCC1(CCCCC1)c1ccccn1 Show InChI InChI=1S/C37H47N5O2/c1-25(2)28-15-13-16-29(26(3)4)33(28)41-35(44)42-36(5,22-27-23-39-31-17-8-7-14-30(27)31)34(43)40-24-37(19-10-6-11-20-37)32-18-9-12-21-38-32/h7-9,12-18,21,23,25-26,39H,6,10-11,19-20,22,24H2,1-5H3,(H,40,43)(H2,41,42,44)/t36-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 134 | 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) | BDBM50071754
((S)-2-[3-(2,6-Diisopropyl-phenyl)-ureido]-3-(1H-in...)Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)N[C@@](C)(Cc1c[nH]c2ccccc12)C(=O)NCC1(CCCCC1)c1ccccn1 Show InChI InChI=1S/C37H47N5O2/c1-25(2)28-15-13-16-29(26(3)4)33(28)41-35(44)42-36(5,22-27-23-39-31-17-8-7-14-30(27)31)34(43)40-24-37(19-10-6-11-20-37)32-18-9-12-21-38-32/h7-9,12-18,21,23,25-26,39H,6,10-11,19-20,22,24H2,1-5H3,(H,40,43)(H2,41,42,44)/t36-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 174 | 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 | |
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