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Compile Data Set for Download or QSAR

Found 4 hits of ki for monomerid = 85478   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Bombesin


(Frog)
BDBM85478
PNG
(Bombesin, SAP | CAS_31362-50-2)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCC(=O)N1)C(C)C)C(N)=O |wU:91.97,83.91,8.16,4.4,33.35,62.71,19.27,wD:97.106,48.62,37.46,71.79,106.109,(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,;13.58,-9.93,;13.19,-11.42,;14.27,-12.5,;13.88,-13.99,;14.97,-15.08,;12.39,-14.39,;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,;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/C74H108N24O19S/c1-37(2)26-49(94-72(116)54(35-99)97-66(110)48(18-21-56(76)101)92-64(108)46-19-22-58(103)87-46)63(107)84-33-59(104)89-53(30-57(77)102)71(115)93-47(17-20-55(75)100)65(109)96-51(28-40-31-83-43-15-10-9-14-42(40)43)69(113)91-45(16-11-24-82-74(79)80)67(111)98-61(38(3)4)73(117)85-34-60(105)88-52(29-41-32-81-36-86-41)70(114)95-50(27-39-12-7-6-8-13-39)68(112)90-44(62(78)106)23-25-118-5/h6-10,12-15,31-32,36-38,44-54,61,83,99H,11,16-30,33-35H2,1-5H3,(H2,75,100)(H2,76,101)(H2,77,102)(H2,78,106)(H,81,86)(H,84,107)(H,85,117)(H,87,103)(H,88,105)(H,89,104)(H,90,112)(H,91,113)(H,92,108)(H,93,115)(H,94,116)(H,95,114)(H,96,109)(H,97,110)(H,98,111)(H4,79,80,82)/t44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,61-/m0/s1
UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
1.01E+3n/an/an/an/an/an/an/an/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)
BDBM85478
PNG
(Bombesin, SAP | CAS_31362-50-2)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCC(=O)N1)C(C)C)C(N)=O |wU:91.97,83.91,8.16,4.4,33.35,62.71,19.27,wD:97.106,48.62,37.46,71.79,106.109,(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,;13.58,-9.93,;13.19,-11.42,;14.27,-12.5,;13.88,-13.99,;14.97,-15.08,;12.39,-14.39,;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,;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/C74H108N24O19S/c1-37(2)26-49(94-72(116)54(35-99)97-66(110)48(18-21-56(76)101)92-64(108)46-19-22-58(103)87-46)63(107)84-33-59(104)89-53(30-57(77)102)71(115)93-47(17-20-55(75)100)65(109)96-51(28-40-31-83-43-15-10-9-14-42(40)43)69(113)91-45(16-11-24-82-74(79)80)67(111)98-61(38(3)4)73(117)85-34-60(105)88-52(29-41-32-81-36-86-41)70(114)95-50(27-39-12-7-6-8-13-39)68(112)90-44(62(78)106)23-25-118-5/h6-10,12-15,31-32,36-38,44-54,61,83,99H,11,16-30,33-35H2,1-5H3,(H2,75,100)(H2,76,101)(H2,77,102)(H2,78,106)(H,81,86)(H,84,107)(H,85,117)(H,87,103)(H,88,105)(H,89,104)(H,90,112)(H,91,113)(H,92,108)(H,93,115)(H,94,116)(H,95,114)(H,96,109)(H,97,110)(H,98,111)(H4,79,80,82)/t44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,61-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem

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Article
PubMed
3.20E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by PDSP Ki Database




Biochemistry 38: 7307-20 (1999)


Article DOI: 10.1021/bi990204w
BindingDB Entry DOI: 10.7270/Q29022BG
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Homo sapiens (Human))
BDBM85478
PNG
(Bombesin, SAP | CAS_31362-50-2)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCC(=O)N1)C(C)C)C(N)=O |wU:91.97,83.91,8.16,4.4,33.35,62.71,19.27,wD:97.106,48.62,37.46,71.79,106.109,(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,;13.58,-9.93,;13.19,-11.42,;14.27,-12.5,;13.88,-13.99,;14.97,-15.08,;12.39,-14.39,;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,;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/C74H108N24O19S/c1-37(2)26-49(94-72(116)54(35-99)97-66(110)48(18-21-56(76)101)92-64(108)46-19-22-58(103)87-46)63(107)84-33-59(104)89-53(30-57(77)102)71(115)93-47(17-20-55(75)100)65(109)96-51(28-40-31-83-43-15-10-9-14-42(40)43)69(113)91-45(16-11-24-82-74(79)80)67(111)98-61(38(3)4)73(117)85-34-60(105)88-52(29-41-32-81-36-86-41)70(114)95-50(27-39-12-7-6-8-13-39)68(112)90-44(62(78)106)23-25-118-5/h6-10,12-15,31-32,36-38,44-54,61,83,99H,11,16-30,33-35H2,1-5H3,(H2,75,100)(H2,76,101)(H2,77,102)(H2,78,106)(H,81,86)(H,84,107)(H,85,117)(H,87,103)(H,88,105)(H,89,104)(H,90,112)(H,91,113)(H,92,108)(H,93,115)(H,94,116)(H,95,114)(H,96,109)(H,97,110)(H,98,111)(H4,79,80,82)/t44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,61-/m0/s1
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PubMed
7.10E+3n/an/an/an/an/an/an/an/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
Neuromedin-B receptor


(RAT)
BDBM85478
PNG
(Bombesin, SAP | CAS_31362-50-2)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCC(=O)N1)C(C)C)C(N)=O |wU:91.97,83.91,8.16,4.4,33.35,62.71,19.27,wD:97.106,48.62,37.46,71.79,106.109,(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,;13.58,-9.93,;13.19,-11.42,;14.27,-12.5,;13.88,-13.99,;14.97,-15.08,;12.39,-14.39,;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,;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/C74H108N24O19S/c1-37(2)26-49(94-72(116)54(35-99)97-66(110)48(18-21-56(76)101)92-64(108)46-19-22-58(103)87-46)63(107)84-33-59(104)89-53(30-57(77)102)71(115)93-47(17-20-55(75)100)65(109)96-51(28-40-31-83-43-15-10-9-14-42(40)43)69(113)91-45(16-11-24-82-74(79)80)67(111)98-61(38(3)4)73(117)85-34-60(105)88-52(29-41-32-81-36-86-41)70(114)95-50(27-39-12-7-6-8-13-39)68(112)90-44(62(78)106)23-25-118-5/h6-10,12-15,31-32,36-38,44-54,61,83,99H,11,16-30,33-35H2,1-5H3,(H2,75,100)(H2,76,101)(H2,77,102)(H2,78,106)(H,81,86)(H,84,107)(H,85,117)(H,87,103)(H,88,105)(H,89,104)(H,90,112)(H,91,113)(H,92,108)(H,93,115)(H,94,116)(H,95,114)(H,96,109)(H,97,110)(H,98,111)(H4,79,80,82)/t44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,61-/m0/s1
PDB

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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by PDSP Ki Database




Biochemistry 38: 7307-20 (1999)


Article DOI: 10.1021/bi990204w
BindingDB Entry DOI: 10.7270/Q29022BG
More data for this
Ligand-Target Pair