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Compile Data Set for Download or QSAR

Found 1154 hits Enz. Inhib. hit(s) with Target = 'Bombesin'   
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
GRPR


(Homo sapiens (Human))
BDBM50071733
PNG
(CHEMBL413196 | Compound GRP)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C(C)C)[C@@H](C)O)C(C)C)[C@@H](C)O)C(C)C)C(O)=O
Show InChI InChI=1S/C130H203N37O32S2/c1-65(2)47-86(114(183)154-85(129(198)199)39-46-201-18)155-115(184)89(52-77-56-136-63-145-77)149-101(175)62-144-122(191)104(69(9)10)162-109(178)72(14)147-113(182)88(51-76-55-139-81-28-20-19-27-80(76)81)156-116(185)90(53-78-57-137-64-146-78)157-117(186)91(54-97(132)171)150-100(174)61-143-110(179)82(30-23-41-138-130(134)135)152-120(189)95-32-25-43-166(95)127(196)93(50-75-34-36-79(170)37-35-75)159-112(181)84(38-45-200-17)151-111(180)83(29-21-22-40-131)153-124(193)107(74(16)169)164-118(187)87(48-66(3)4)158-123(192)105(70(11)12)163-125(194)106(73(15)168)161-102(176)60-141-98(172)58-140-99(173)59-142-108(177)71(13)148-119(188)94-31-24-42-165(94)126(195)92(49-67(5)6)160-121(190)96-33-26-44-167(96)128(197)103(133)68(7)8/h19-20,27-28,34-37,55-57,63-74,82-96,103-107,139,168-170H,21-26,29-33,38-54,58-62,131,133H2,1-18H3,(H2,132,171)(H,136,145)(H,137,146)(H,140,173)(H,141,172)(H,142,177)(H,143,179)(H,144,191)(H,147,182)(H,148,188)(H,149,175)(H,150,174)(H,151,180)(H,152,189)(H,153,193)(H,154,183)(H,155,184)(H,156,185)(H,157,186)(H,158,192)(H,159,181)(H,160,190)(H,161,176)(H,162,178)(H,163,194)(H,164,187)(H,198,199)(H4,134,135,138)/t71-,72-,73+,74+,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,103-,104-,105-,106-,107-/m0/s1
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0.0400n/an/an/an/an/an/an/an/a



Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
In vitro binding affinity at Bombesin BB2 receptor in the presence of [125I]-[Tyr] bombesin.


Bioorg Med Chem Lett 8: 2589-94 (1999)


Article DOI: 10.1016/s0960-894x(98)00462-4
BindingDB Entry DOI: 10.7270/Q2DB82B4
More data for this
Ligand-Target Pair
NMBR


(Homo sapiens (Human))
BDBM50071745
PNG
(CHEMBL403317 | Compound NMB | Gly-Asn-Leu-Trp-Ala-...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CN)[C@@H](C)O)C(N)=O
Show InChI InChI=1S/C52H73N15O12S/c1-27(2)17-36(64-51(78)40(21-41(54)69)61-42(70)22-53)48(75)66-38(19-31-23-57-34-14-10-9-13-33(31)34)47(74)60-28(3)46(73)67-44(29(4)68)52(79)58-25-43(71)62-39(20-32-24-56-26-59-32)50(77)65-37(18-30-11-7-6-8-12-30)49(76)63-35(45(55)72)15-16-80-5/h6-14,23-24,26-29,35-40,44,57,68H,15-22,25,53H2,1-5H3,(H2,54,69)(H2,55,72)(H,56,59)(H,58,79)(H,60,74)(H,61,70)(H,62,71)(H,63,76)(H,64,78)(H,65,77)(H,66,75)(H,67,73)/t28-,29+,35-,36-,37-,38-,39-,40-,44-/m0/s1
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0.0680n/an/an/an/an/an/an/an/a



Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
Antagonism of recombinant human bombesin receptor (bb1) labeled with [125I]- [Tyr] bombesin stably expressed in CHO cells


Bioorg Med Chem Lett 8: 2589-94 (1999)


Article DOI: 10.1016/s0960-894x(98)00462-4
BindingDB Entry DOI: 10.7270/Q2DB82B4
More data for this
Ligand-Target Pair
GRPR


(Homo sapiens (Human))
BDBM85484
PNG
(Bombesin)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCC(=O)N1)C(C)C)C(N)=O
Show InChI InChI=1S/C71H110N24O18S/c1-34(2)24-47(92-62(105)43(14-11-22-79-71(76)77)89-64(107)45(15-18-52(72)96)90-63(106)44-17-20-55(99)85-44)61(104)81-31-56(100)87-51(28-54(74)98)69(112)91-46(16-19-53(73)97)65(108)94-49(26-38-29-80-41-13-10-9-12-40(38)41)66(109)84-37(7)60(103)95-58(36(5)6)70(113)82-32-57(101)86-50(27-39-30-78-33-83-39)68(111)93-48(25-35(3)4)67(110)88-42(59(75)102)21-23-114-8/h9-10,12-13,29-30,33-37,42-51,58,80H,11,14-28,31-32H2,1-8H3,(H2,72,96)(H2,73,97)(H2,74,98)(H2,75,102)(H,78,83)(H,81,104)(H,82,113)(H,84,109)(H,85,99)(H,86,101)(H,87,100)(H,88,110)(H,89,107)(H,90,106)(H,91,112)(H,92,105)(H,93,111)(H,94,108)(H,95,103)(H4,76,77,79)/t37-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,58-/m0/s1
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0.150n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against [125 I][4Tyr]-bombesin labeled cloned human GRP(gastrin releasing peptide) receptors stably expressed in CHO cells


Bioorg Med Chem Lett 6: 2617-2622 (1996)


Article DOI: 10.1016/0960-894X(96)00481-7
BindingDB Entry DOI: 10.7270/Q2NC61QD
More data for this
Ligand-Target Pair
GRPR


(Homo sapiens (Human))
BDBM85484
PNG
(Bombesin)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCC(=O)N1)C(C)C)C(N)=O
Show InChI InChI=1S/C71H110N24O18S/c1-34(2)24-47(92-62(105)43(14-11-22-79-71(76)77)89-64(107)45(15-18-52(72)96)90-63(106)44-17-20-55(99)85-44)61(104)81-31-56(100)87-51(28-54(74)98)69(112)91-46(16-19-53(73)97)65(108)94-49(26-38-29-80-41-13-10-9-12-40(38)41)66(109)84-37(7)60(103)95-58(36(5)6)70(113)82-32-57(101)86-50(27-39-30-78-33-83-39)68(111)93-48(25-35(3)4)67(110)88-42(59(75)102)21-23-114-8/h9-10,12-13,29-30,33-37,42-51,58,80H,11,14-28,31-32H2,1-8H3,(H2,72,96)(H2,73,97)(H2,74,98)(H2,75,102)(H,78,83)(H,81,104)(H,82,113)(H,84,109)(H,85,99)(H,86,101)(H,87,100)(H,88,110)(H,89,107)(H,90,106)(H,91,112)(H,92,105)(H,93,111)(H,94,108)(H,95,103)(H4,76,77,79)/t37-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,58-/m0/s1
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0.150n/an/an/an/an/an/an/an/a



Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
In vitro binding affinity at Bombesin BB2 receptor in the presence of [125I]-[Tyr] bombesin.


Bioorg Med Chem Lett 8: 2589-94 (1999)


Article DOI: 10.1016/s0960-894x(98)00462-4
BindingDB Entry DOI: 10.7270/Q2DB82B4
More data for this
Ligand-Target Pair
NMBR


(Homo sapiens (Human))
BDBM50071735
PNG
((S)-3-(1H-Indol-3-yl)-2-methyl-2-[3-(4-nitro-pheny...)
Show SMILES C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)Nc1ccc(cc1)[N+]([O-])=O)C(=O)NCC1(CCCCC1)c1ccccn1
Show InChI InChI=1S/C31H34N6O4/c1-30(19-22-20-33-26-10-4-3-9-25(22)26,36-29(39)35-23-12-14-24(15-13-23)37(40)41)28(38)34-21-31(16-6-2-7-17-31)27-11-5-8-18-32-27/h3-5,8-15,18,20,33H,2,6-7,16-17,19,21H2,1H3,(H,34,38)(H2,35,36,39)/t30-/m0/s1
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0.150n/an/an/an/an/an/an/an/a



Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
Antagonism of recombinant human bombesin receptor (bb1) labeled with [125I]- [Tyr] bombesin stably expressed in CHO cells


Bioorg Med Chem Lett 8: 2589-94 (1999)


Article DOI: 10.1016/s0960-894x(98)00462-4
BindingDB Entry DOI: 10.7270/Q2DB82B4
More data for this
Ligand-Target Pair
NMBR


(Homo sapiens (Human))
BDBM50071739
PNG
((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
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0.170n/an/an/an/an/an/an/an/a



Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
Antagonism of recombinant human bombesin receptor (bb1) labeled with [125I]- [Tyr] bombesin stably expressed in CHO cells


Bioorg Med Chem Lett 8: 2589-94 (1999)


Article DOI: 10.1016/s0960-894x(98)00462-4
BindingDB Entry DOI: 10.7270/Q2DB82B4
More data for this
Ligand-Target Pair
NMBR


(Homo sapiens (Human))
BDBM50071750
PNG
((S)-3-(1H-Indol-3-yl)-2-methyl-N-[1-(4-nitro-pheny...)
Show SMILES C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)Nc1ccc(cc1)[N+]([O-])=O)C(=O)NCC1(CCCCC1)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C32H34N6O6/c1-31(19-22-20-33-28-8-4-3-7-27(22)28,36-30(40)35-24-11-15-26(16-12-24)38(43)44)29(39)34-21-32(17-5-2-6-18-32)23-9-13-25(14-10-23)37(41)42/h3-4,7-16,20,33H,2,5-6,17-19,21H2,1H3,(H,34,39)(H2,35,36,40)/t31-/m0/s1
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0.300n/an/an/an/an/an/an/an/a



Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
Antagonism of recombinant human bombesin receptor (bb1) labeled with [125I]- [Tyr] bombesin stably expressed in CHO cells


Bioorg Med Chem Lett 8: 2589-94 (1999)


Article DOI: 10.1016/s0960-894x(98)00462-4
BindingDB Entry DOI: 10.7270/Q2DB82B4
More data for this
Ligand-Target Pair
NMBR


(Homo sapiens (Human))
BDBM50071746
PNG
((S)-2-[3-(4-Cyano-phenyl)-ureido]-3-(1H-indol-3-yl...)
Show SMILES C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)Nc1ccc(cc1)C#N)C(=O)NCC1(CCCCC1)c1ccccn1
Show InChI InChI=1S/C32H34N6O2/c1-31(19-24-21-35-27-10-4-3-9-26(24)27,38-30(40)37-25-14-12-23(20-33)13-15-25)29(39)36-22-32(16-6-2-7-17-32)28-11-5-8-18-34-28/h3-5,8-15,18,21,35H,2,6-7,16-17,19,22H2,1H3,(H,36,39)(H2,37,38,40)/t31-/m0/s1
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0.320n/an/an/an/an/an/an/an/a



Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
Antagonism of recombinant human bombesin receptor (bb1) labeled with [125I]- [Tyr] bombesin stably expressed in CHO cells


Bioorg Med Chem Lett 8: 2589-94 (1999)


Article DOI: 10.1016/s0960-894x(98)00462-4
BindingDB Entry DOI: 10.7270/Q2DB82B4
More data for this
Ligand-Target Pair
BRS3


(Homo sapiens (Human))
BDBM50275902
PNG
(CHEMBL525577 | D-Phe-Gln-Trp-Ala-Val-b-Ala-His-Phe...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccccc1)C(C)C)C(N)=O
Show InChI InChI=1S/C57H76N14O10/c1-6-7-21-42(49(60)73)66-55(79)44(26-36-18-12-9-13-19-36)69-56(80)46(28-38-30-61-31-63-38)68-50(74)33(4)65-57(81)48(32(2)3)71-51(75)34(5)64-54(78)45(27-37-29-62-41-22-15-14-20-39(37)41)70-53(77)43(23-24-47(59)72)67-52(76)40(58)25-35-16-10-8-11-17-35/h8-20,22,29-34,40,42-46,48,62H,6-7,21,23-28,58H2,1-5H3,(H2,59,72)(H2,60,73)(H,61,63)(H,64,78)(H,65,81)(H,66,79)(H,67,76)(H,68,74)(H,69,80)(H,70,77)(H,71,75)/t33-,34+,40-,42+,43+,44+,45+,46+,48+/m1/s1
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0.360n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to BRS-3 receptor (unknown origin)


Bioorg Med Chem Lett 18: 5451-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.033
BindingDB Entry DOI: 10.7270/Q2H9952R
More data for this
Ligand-Target Pair
NMBR


(Homo sapiens (Human))
BDBM50071748
PNG
((S)-3-(1H-Indol-3-yl)-2-methyl-2-[3-(4-nitro-pheny...)
Show SMILES C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)Nc1ccc(cc1)[N+]([O-])=O)C(=O)NCC1(CCCCC1)c1ccccc1
Show InChI InChI=1S/C32H35N5O4/c1-31(20-23-21-33-28-13-7-6-12-27(23)28,36-30(39)35-25-14-16-26(17-15-25)37(40)41)29(38)34-22-32(18-8-3-9-19-32)24-10-4-2-5-11-24/h2,4-7,10-17,21,33H,3,8-9,18-20,22H2,1H3,(H,34,38)(H2,35,36,39)/t31-/m0/s1
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0.390n/an/an/an/an/an/an/an/a



Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
Antagonism of recombinant human bombesin receptor (bb1) labeled with [125I]- [Tyr] bombesin stably expressed in CHO cells


Bioorg Med Chem Lett 8: 2589-94 (1999)


Article DOI: 10.1016/s0960-894x(98)00462-4
BindingDB Entry DOI: 10.7270/Q2DB82B4
More data for this
Ligand-Target Pair
Bombesin 4


(Frog)
BDBM85488
PNG
(DPhe6,BetaAla11,Phe13,Nle14-Bn(6-14))
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccccc1)C(C)C)C(N)=O
Show InChI InChI=1S/C57H76N14O10/c1-6-7-21-42(49(60)73)66-55(79)44(26-36-18-12-9-13-19-36)69-56(80)46(28-38-30-61-31-63-38)68-50(74)33(4)65-57(81)48(32(2)3)71-51(75)34(5)64-54(78)45(27-37-29-62-41-22-15-14-20-39(37)41)70-53(77)43(23-24-47(59)72)67-52(76)40(58)25-35-16-10-8-11-17-35/h8-20,22,29-34,40,42-46,48,62H,6-7,21,23-28,58H2,1-5H3,(H2,59,72)(H2,60,73)(H,61,63)(H,64,78)(H,65,81)(H,66,79)(H,67,76)(H,68,74)(H,69,80)(H,70,77)(H,71,75)/t33-,34-,40+,42-,43-,44-,45-,46-,48-/m0/s1
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0.410n/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
NMBR


(Homo sapiens (Human))
BDBM50071736
PNG
((S)-N-[1-(3,4-Dimethoxy-phenyl)-cyclohexylmethyl]-...)
Show SMILES COc1ccc(cc1OC)C1(CNC(=O)[C@](C)(Cc2c[nH]c3ccccc23)NC(=O)Nc2ccc(cc2)[N+]([O-])=O)CCCCC1
Show InChI InChI=1S/C34H39N5O6/c1-33(20-23-21-35-28-10-6-5-9-27(23)28,38-32(41)37-25-12-14-26(15-13-25)39(42)43)31(40)36-22-34(17-7-4-8-18-34)24-11-16-29(44-2)30(19-24)45-3/h5-6,9-16,19,21,35H,4,7-8,17-18,20,22H2,1-3H3,(H,36,40)(H2,37,38,41)/t33-/m0/s1
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0.440n/an/an/an/an/an/an/an/a



Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
Antagonism of recombinant human bombesin receptor (bb1) labeled with [125I]- [Tyr] bombesin stably expressed in CHO cells


Bioorg Med Chem Lett 8: 2589-94 (1999)


Article DOI: 10.1016/s0960-894x(98)00462-4
BindingDB Entry DOI: 10.7270/Q2DB82B4
More data for this
Ligand-Target Pair
NMBR


(Homo sapiens (Human))
BDBM50071743
PNG
((S)-3-(1H-Indol-3-yl)-N-[1-(4-methoxy-phenyl)-cycl...)
Show SMILES COc1ccc(cc1)C1(CNC(=O)[C@](C)(Cc2c[nH]c3ccccc23)NC(=O)Nc2ccc(cc2)[N+]([O-])=O)CCCCC1
Show InChI InChI=1S/C33H37N5O5/c1-32(20-23-21-34-29-9-5-4-8-28(23)29,37-31(40)36-25-12-14-26(15-13-25)38(41)42)30(39)35-22-33(18-6-3-7-19-33)24-10-16-27(43-2)17-11-24/h4-5,8-17,21,34H,3,6-7,18-20,22H2,1-2H3,(H,35,39)(H2,36,37,40)/t32-/m0/s1
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0.460n/an/an/an/an/an/an/an/a



Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
Antagonism of recombinant human bombesin receptor (bb1) labeled with [125I]- [Tyr] bombesin stably expressed in CHO cells


Bioorg Med Chem Lett 8: 2589-94 (1999)


Article DOI: 10.1016/s0960-894x(98)00462-4
BindingDB Entry DOI: 10.7270/Q2DB82B4
More data for this
Ligand-Target Pair
GRPR


(Homo sapiens (Human))
BDBM50066009
PNG
(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
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
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0.5n/an/an/an/an/an/an/an/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
NMBR


(Homo sapiens (Human))
BDBM50071741
PNG
((S)-N-[1-(4-Dimethylamino-phenyl)-cyclohexylmethyl...)
Show SMILES CN(C)c1ccc(cc1)C1(CNC(=O)[C@](C)(Cc2c[nH]c3ccccc23)NC(=O)Nc2ccc(cc2)[N+]([O-])=O)CCCCC1
Show InChI InChI=1S/C34H40N6O4/c1-33(21-24-22-35-30-10-6-5-9-29(24)30,38-32(42)37-26-13-17-28(18-14-26)40(43)44)31(41)36-23-34(19-7-4-8-20-34)25-11-15-27(16-12-25)39(2)3/h5-6,9-18,22,35H,4,7-8,19-21,23H2,1-3H3,(H,36,41)(H2,37,38,42)/t33-/m0/s1
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0.520n/an/an/an/an/an/an/an/a



Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
Antagonism of recombinant human bombesin receptor (bb1) labeled with [125I]- [Tyr] bombesin stably expressed in CHO cells


Bioorg Med Chem Lett 8: 2589-94 (1999)


Article DOI: 10.1016/s0960-894x(98)00462-4
BindingDB Entry DOI: 10.7270/Q2DB82B4
More data for this
Ligand-Target Pair
Neuromedin B


(Homo sapiens (Human))
BDBM50071745
PNG
(CHEMBL403317 | Compound NMB | Gly-Asn-Leu-Trp-Ala-...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CN)[C@@H](C)O)C(N)=O
Show InChI InChI=1S/C52H73N15O12S/c1-27(2)17-36(64-51(78)40(21-41(54)69)61-42(70)22-53)48(75)66-38(19-31-23-57-34-14-10-9-13-33(31)34)47(74)60-28(3)46(73)67-44(29(4)68)52(79)58-25-43(71)62-39(20-32-24-56-26-59-32)50(77)65-37(18-30-11-7-6-8-12-30)49(76)63-35(45(55)72)15-16-80-5/h6-14,23-24,26-29,35-40,44,57,68H,15-22,25,53H2,1-5H3,(H2,54,69)(H2,55,72)(H,56,59)(H,58,79)(H,60,74)(H,61,70)(H,62,71)(H,63,76)(H,64,78)(H,65,77)(H,66,75)(H,67,73)/t28-,29+,35-,36-,37-,38-,39-,40-,44-/m0/s1
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0.550n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 1161-70 (2004)


Article DOI: 10.1124/jpet.104.066761
BindingDB Entry DOI: 10.7270/Q2513WSQ
More data for this
Ligand-Target Pair
NMBR


(Homo sapiens (Human))
BDBM50071742
PNG
((S)-N-[1-(4-Ethoxy-phenyl)-cyclohexylmethyl]-3-(1H...)
Show SMILES CCOc1ccc(cc1)C1(CNC(=O)[C@](C)(Cc2c[nH]c3ccccc23)NC(=O)Nc2ccc(cc2)[N+]([O-])=O)CCCCC1
Show InChI InChI=1S/C34H39N5O5/c1-3-44-28-17-11-25(12-18-28)34(19-7-4-8-20-34)23-36-31(40)33(2,21-24-22-35-30-10-6-5-9-29(24)30)38-32(41)37-26-13-15-27(16-14-26)39(42)43/h5-6,9-18,22,35H,3-4,7-8,19-21,23H2,1-2H3,(H,36,40)(H2,37,38,41)/t33-/m0/s1
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0.590n/an/an/an/an/an/an/an/a



Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
Antagonism of recombinant human bombesin receptor (bb1) labeled with [125I]- [Tyr] bombesin stably expressed in CHO cells


Bioorg Med Chem Lett 8: 2589-94 (1999)


Article DOI: 10.1016/s0960-894x(98)00462-4
BindingDB Entry DOI: 10.7270/Q2DB82B4
More data for this
Ligand-Target Pair
Bombesin


(RAT)
BDBM50336889
PNG
((2S)-1,1,1-trifluoro-2-[4-(1H-pyrazol-1-yl)phenyl]...)
Show SMILES O[C@@](Cc1ncc(CC2(CC2)C(F)(F)F)[nH]1)(c1ccc(cc1)-n1cccn1)C(F)(F)F
Show InChI InChI=1S/C20H18F6N4O/c21-19(22,23)17(6-7-17)10-14-12-27-16(29-14)11-18(31,20(24,25)26)13-2-4-15(5-3-13)30-9-1-8-28-30/h1-5,8-9,12,31H,6-7,10-11H2,(H,27,29)/t18-/m0/s1
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0.600n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]Bag-3 from rat BRS-3


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
Bombesin


(RAT)
BDBM50336889
PNG
((2S)-1,1,1-trifluoro-2-[4-(1H-pyrazol-1-yl)phenyl]...)
Show SMILES O[C@@](Cc1ncc(CC2(CC2)C(F)(F)F)[nH]1)(c1ccc(cc1)-n1cccn1)C(F)(F)F
Show InChI InChI=1S/C20H18F6N4O/c21-19(22,23)17(6-7-17)10-14-12-27-16(29-14)11-18(31,20(24,25)26)13-2-4-15(5-3-13)30-9-1-8-28-30/h1-5,8-9,12,31H,6-7,10-11H2,(H,27,29)/t18-/m0/s1
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0.600n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]Bag-3 from rat BRS-3


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
NMBR


(Homo sapiens (Human))
BDBM50071738
PNG
((S)-N-[1-(4-Hydroxy-phenyl)-cyclohexylmethyl]-3-(1...)
Show SMILES C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)Nc1ccc(cc1)[N+]([O-])=O)C(=O)NCC1(CCCCC1)c1ccc(O)cc1
Show InChI InChI=1S/C32H35N5O5/c1-31(19-22-20-33-28-8-4-3-7-27(22)28,36-30(40)35-24-11-13-25(14-12-24)37(41)42)29(39)34-21-32(17-5-2-6-18-32)23-9-15-26(38)16-10-23/h3-4,7-16,20,33,38H,2,5-6,17-19,21H2,1H3,(H,34,39)(H2,35,36,40)/t31-/m0/s1
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0.620n/an/an/an/an/an/an/an/a



Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
Antagonism of recombinant human bombesin receptor (bb1) labeled with [125I]- [Tyr] bombesin stably expressed in CHO cells


Bioorg Med Chem Lett 8: 2589-94 (1999)


Article DOI: 10.1016/s0960-894x(98)00462-4
BindingDB Entry DOI: 10.7270/Q2DB82B4
More data for this
Ligand-Target Pair
GRPR


(Homo sapiens (Human))
BDBM50071744
PNG
(AcBB(7-14) | CHEMBL314375)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(C)=O)C(C)C)C(N)=O
Show InChI InChI=1S/C45H67N13O10S/c1-23(2)16-33(43(66)55-31(39(47)62)14-15-69-7)56-44(67)35(18-28-20-48-22-51-28)54-37(61)21-50-45(68)38(24(3)4)58-40(63)25(5)52-42(65)34(17-27-19-49-30-11-9-8-10-29(27)30)57-41(64)32(53-26(6)59)12-13-36(46)60/h8-11,19-20,22-25,31-35,38,49H,12-18,21H2,1-7H3,(H2,46,60)(H2,47,62)(H,48,51)(H,50,68)(H,52,65)(H,53,59)(H,54,61)(H,55,66)(H,56,67)(H,57,64)(H,58,63)/t25-,31-,32-,33-,34-,35-,38-/m0/s1
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0.700n/an/an/an/an/an/an/an/a



Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
In vitro binding affinity at Bombesin BB2 receptor in the presence of [125I]-[Tyr] bombesin.


Bioorg Med Chem Lett 8: 2589-94 (1999)


Article DOI: 10.1016/s0960-894x(98)00462-4
BindingDB Entry DOI: 10.7270/Q2DB82B4
More data for this
Ligand-Target Pair
GRPR


(Homo sapiens (Human))
BDBM50288252
PNG
(Bombesin analogue | CHEMBL269432)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(O)=O
Show InChI InChI=1S/C51H72N10O12/c1-28(2)20-36(54-47(68)40(24-34-25-52-27-53-34)56-45(66)38(22-32-12-9-8-10-13-32)57-49(70)42-14-11-19-61(42)31(7)63)44(65)55-37(21-29(3)4)48(69)60-43(30(5)6)50(71)58-39(23-33-15-17-35(64)18-16-33)46(67)59-41(26-62)51(72)73/h8-10,12-13,15-18,25,27-30,36-43,62,64H,11,14,19-24,26H2,1-7H3,(H,52,53)(H,54,68)(H,55,65)(H,56,66)(H,57,70)(H,58,71)(H,59,67)(H,60,69)(H,72,73)/t36-,37-,38-,39-,40-,41-,42-,43-/m0/s1
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0.700n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against [125 I][4Tyr]-bombesin labeled cloned human GRP(gastrin releasing peptide) receptors stably expressed in CHO cells


Bioorg Med Chem Lett 6: 2617-2622 (1996)


Article DOI: 10.1016/0960-894X(96)00481-7
BindingDB Entry DOI: 10.7270/Q2NC61QD
More data for this
Ligand-Target Pair
BRS3


(Homo sapiens (Human))
BDBM86502
PNG
(CAS_0 | NSC_0 | [D-Tyr6,Beta-Ala11,Phe13,Nle14]Bn(...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCNC(=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/c1-5-6-15-42(50(60)75)67-55(80)44(26-34-12-8-7-9-13-34)69-56(81)46(28-37-30-61-31-64-37)66-48(74)23-24-62-57(82)49(32(2)3)71-51(76)33(4)65-54(79)45(27-36-29-63-41-16-11-10-14-39(36)41)70-53(78)43(21-22-47(59)73)68-52(77)40(58)25-35-17-19-38(72)20-18-35/h7-14,16-20,29-33,40,42-46,49,63,72H,5-6,15,21-28,58H2,1-4H3,(H2,59,73)(H2,60,75)(H,61,64)(H,62,82)(H,65,79)(H,66,74)(H,67,80)(H,68,77)(H,69,81)(H,70,78)(H,71,76)/t33-,40+,42-,43-,44-,45-,46-,49-/m0/s1
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0.820n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 1161-70 (2004)


Article DOI: 10.1124/jpet.104.066761
BindingDB Entry DOI: 10.7270/Q2513WSQ
More data for this
Ligand-Target Pair
Bombesin 4


(Frog)
BDBM85500
PNG
(Bombesin,Phe13)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCC(=O)N1)C(C)C)C(N)=O
Show InChI InChI=1S/C74H108N24O18S/c1-37(2)27-50(95-65(108)46(17-12-25-82-74(79)80)92-67(110)48(18-21-55(75)99)93-66(109)47-20-23-58(102)88-47)64(107)84-34-59(103)90-54(31-57(77)101)72(115)94-49(19-22-56(76)100)68(111)97-52(29-41-32-83-44-16-11-10-15-43(41)44)69(112)87-39(5)63(106)98-61(38(3)4)73(116)85-35-60(104)89-53(30-42-33-81-36-86-42)71(114)96-51(28-40-13-8-7-9-14-40)70(113)91-45(62(78)105)24-26-117-6/h7-11,13-16,32-33,36-39,45-54,61,83H,12,17-31,34-35H2,1-6H3,(H2,75,99)(H2,76,100)(H2,77,101)(H2,78,105)(H,81,86)(H,84,107)(H,85,116)(H,87,112)(H,88,102)(H,89,104)(H,90,103)(H,91,113)(H,92,110)(H,93,109)(H,94,115)(H,95,108)(H,96,114)(H,97,111)(H,98,106)(H4,79,80,82)/t39-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,61-/m0/s1
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0.960n/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
NMBR


(Homo sapiens (Human))
BDBM50071737
PNG
((S)-3-(1H-Indol-3-yl)-2-methyl-2-[3-(3-nitro-pheny...)
Show SMILES C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)Nc1cccc(c1)[N+]([O-])=O)C(=O)NCC1(CCCCC1)c1ccccn1
Show InChI InChI=1S/C31H34N6O4/c1-30(19-22-20-33-26-13-4-3-12-25(22)26,36-29(39)35-23-10-9-11-24(18-23)37(40)41)28(38)34-21-31(15-6-2-7-16-31)27-14-5-8-17-32-27/h3-5,8-14,17-18,20,33H,2,6-7,15-16,19,21H2,1H3,(H,34,38)(H2,35,36,39)/t30-/m0/s1
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0.970n/an/an/an/an/an/an/an/a



Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
Antagonism of recombinant human bombesin receptor (bb1) labeled with [125I]- [Tyr] bombesin stably expressed in CHO cells


Bioorg Med Chem Lett 8: 2589-94 (1999)


Article DOI: 10.1016/s0960-894x(98)00462-4
BindingDB Entry DOI: 10.7270/Q2DB82B4
More data for this
Ligand-Target Pair
GRPR


(Homo sapiens (Human))
BDBM50275902
PNG
(CHEMBL525577 | D-Phe-Gln-Trp-Ala-Val-b-Ala-His-Phe...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccccc1)C(C)C)C(N)=O
Show InChI InChI=1S/C57H76N14O10/c1-6-7-21-42(49(60)73)66-55(79)44(26-36-18-12-9-13-19-36)69-56(80)46(28-38-30-61-31-63-38)68-50(74)33(4)65-57(81)48(32(2)3)71-51(75)34(5)64-54(78)45(27-37-29-62-41-22-15-14-20-39(37)41)70-53(77)43(23-24-47(59)72)67-52(76)40(58)25-35-16-10-8-11-17-35/h8-20,22,29-34,40,42-46,48,62H,6-7,21,23-28,58H2,1-5H3,(H2,59,72)(H2,60,73)(H,61,63)(H,64,78)(H,65,81)(H,66,79)(H,67,76)(H,68,74)(H,69,80)(H,70,77)(H,71,75)/t33-,34+,40-,42+,43+,44+,45+,46+,48+/m1/s1
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0.990n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to gastrin releasing peptide receptor (unknown origin)


Bioorg Med Chem Lett 18: 5451-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.033
BindingDB Entry DOI: 10.7270/Q2H9952R
More data for this
Ligand-Target Pair
GRPR


(Homo sapiens (Human))
BDBM50071739
PNG
((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
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1n/an/an/an/an/an/an/an/a



Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
Antagonistic activity against cloned human Bombesin receptor bb2 labeled with [125I]- [Tyr] bombesin stably expressed in CHO cells; 0.66-1.3


Bioorg Med Chem Lett 8: 2589-94 (1999)


Article DOI: 10.1016/s0960-894x(98)00462-4
BindingDB Entry DOI: 10.7270/Q2DB82B4
More data for this
Ligand-Target Pair
Bombesin 4


(Frog)
BDBM85498
PNG
(CAS_5486808 | Litorin | NSC_5486808)
Show SMILES CSCCC(NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1cnc[nH]1)NC(=O)CNC(=O)C(NC(=O)C(C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCC(N)=O)NC(=O)C1CCC(=O)N1)C(C)C)C(N)=O
Show InChI InChI=1S/C51H68N14O11S/c1-27(2)43(51(76)56-25-42(68)60-39(22-31-24-54-26-57-31)50(75)63-37(20-29-10-6-5-7-11-29)49(74)61-34(44(53)69)18-19-77-4)65-45(70)28(3)58-48(73)38(21-30-23-55-33-13-9-8-12-32(30)33)64-47(72)36(14-16-40(52)66)62-46(71)35-15-17-41(67)59-35/h5-13,23-24,26-28,34-39,43,55H,14-22,25H2,1-4H3,(H2,52,66)(H2,53,69)(H,54,57)(H,56,76)(H,58,73)(H,59,67)(H,60,68)(H,61,74)(H,62,71)(H,63,75)(H,64,72)(H,65,70)
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1.20n/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
NMBR


(Homo sapiens (Human))
BDBM50071749
PNG
((S)-3-(1H-Indol-3-yl)-N-[1-(4-isopropyl-phenyl)-cy...)
Show SMILES CC(C)c1ccc(cc1)C1(CNC(=O)[C@](C)(Cc2c[nH]c3ccccc23)NC(=O)Nc2ccc(cc2)[N+]([O-])=O)CCCCC1
Show InChI InChI=1S/C35H41N5O4/c1-24(2)25-11-13-27(14-12-25)35(19-7-4-8-20-35)23-37-32(41)34(3,21-26-22-36-31-10-6-5-9-30(26)31)39-33(42)38-28-15-17-29(18-16-28)40(43)44/h5-6,9-18,22,24,36H,4,7-8,19-21,23H2,1-3H3,(H,37,41)(H2,38,39,42)/t34-/m0/s1
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1.5n/an/an/an/an/an/an/an/a



Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
Antagonism of recombinant human bombesin receptor (bb1) labeled with [125I]- [Tyr] bombesin stably expressed in CHO cells


Bioorg Med Chem Lett 8: 2589-94 (1999)


Article DOI: 10.1016/s0960-894x(98)00462-4
BindingDB Entry DOI: 10.7270/Q2DB82B4
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Mus musculus)
BDBM50336889
PNG
((2S)-1,1,1-trifluoro-2-[4-(1H-pyrazol-1-yl)phenyl]...)
Show SMILES O[C@@](Cc1ncc(CC2(CC2)C(F)(F)F)[nH]1)(c1ccc(cc1)-n1cccn1)C(F)(F)F
Show InChI InChI=1S/C20H18F6N4O/c21-19(22,23)17(6-7-17)10-14-12-27-16(29-14)11-18(31,20(24,25)26)13-2-4-15(5-3-13)30-9-1-8-28-30/h1-5,8-9,12,31H,6-7,10-11H2,(H,27,29)/t18-/m0/s1
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1.60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]Bag-3 from mouse BRS-3


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
NMBR


(Homo sapiens (Human))
BDBM85484
PNG
(Bombesin)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCC(=O)N1)C(C)C)C(N)=O
Show InChI InChI=1S/C71H110N24O18S/c1-34(2)24-47(92-62(105)43(14-11-22-79-71(76)77)89-64(107)45(15-18-52(72)96)90-63(106)44-17-20-55(99)85-44)61(104)81-31-56(100)87-51(28-54(74)98)69(112)91-46(16-19-53(73)97)65(108)94-49(26-38-29-80-41-13-10-9-12-40(38)41)66(109)84-37(7)60(103)95-58(36(5)6)70(113)82-32-57(101)86-50(27-39-30-78-33-83-39)68(111)93-48(25-35(3)4)67(110)88-42(59(75)102)21-23-114-8/h9-10,12-13,29-30,33-37,42-51,58,80H,11,14-28,31-32H2,1-8H3,(H2,72,96)(H2,73,97)(H2,74,98)(H2,75,102)(H,78,83)(H,81,104)(H,82,113)(H,84,109)(H,85,99)(H,86,101)(H,87,100)(H,88,110)(H,89,107)(H,90,106)(H,91,112)(H,92,105)(H,93,111)(H,94,108)(H,95,103)(H4,76,77,79)/t37-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,58-/m0/s1
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2n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against [125 I][4Tyr]-bombesin labeled cloned human NMB receptor stably expressed in CHO cells


Bioorg Med Chem Lett 6: 2617-2622 (1996)


Article DOI: 10.1016/0960-894X(96)00481-7
BindingDB Entry DOI: 10.7270/Q2NC61QD
More data for this
Ligand-Target Pair
NMBR


(Homo sapiens (Human))
BDBM85484
PNG
(Bombesin)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCC(=O)N1)C(C)C)C(N)=O
Show InChI InChI=1S/C71H110N24O18S/c1-34(2)24-47(92-62(105)43(14-11-22-79-71(76)77)89-64(107)45(15-18-52(72)96)90-63(106)44-17-20-55(99)85-44)61(104)81-31-56(100)87-51(28-54(74)98)69(112)91-46(16-19-53(73)97)65(108)94-49(26-38-29-80-41-13-10-9-12-40(38)41)66(109)84-37(7)60(103)95-58(36(5)6)70(113)82-32-57(101)86-50(27-39-30-78-33-83-39)68(111)93-48(25-35(3)4)67(110)88-42(59(75)102)21-23-114-8/h9-10,12-13,29-30,33-37,42-51,58,80H,11,14-28,31-32H2,1-8H3,(H2,72,96)(H2,73,97)(H2,74,98)(H2,75,102)(H,78,83)(H,81,104)(H,82,113)(H,84,109)(H,85,99)(H,86,101)(H,87,100)(H,88,110)(H,89,107)(H,90,106)(H,91,112)(H,92,105)(H,93,111)(H,94,108)(H,95,103)(H4,76,77,79)/t37-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,58-/m0/s1
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2n/an/an/an/an/an/an/an/a



Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
Antagonism of recombinant human bombesin receptor (bb1) labeled with [125I]- [Tyr] bombesin stably expressed in CHO cells


Bioorg Med Chem Lett 8: 2589-94 (1999)


Article DOI: 10.1016/s0960-894x(98)00462-4
BindingDB Entry DOI: 10.7270/Q2DB82B4
More data for this
Ligand-Target Pair
NMBR


(Homo sapiens (Human))
BDBM50071734
PNG
((S)-2-[3-(3,4-Dichloro-phenyl)-ureido]-3-(1H-indol...)
Show SMILES C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)NCC1(CCCCC1)c1ccccn1
Show InChI InChI=1S/C31H33Cl2N5O2/c1-30(18-21-19-35-26-10-4-3-9-23(21)26,38-29(40)37-22-12-13-24(32)25(33)17-22)28(39)36-20-31(14-6-2-7-15-31)27-11-5-8-16-34-27/h3-5,8-13,16-17,19,35H,2,6-7,14-15,18,20H2,1H3,(H,36,39)(H2,37,38,40)/t30-/m0/s1
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2.10n/an/an/an/an/an/an/an/a



Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
Antagonism of recombinant human bombesin receptor (bb1) labeled with [125I]- [Tyr] bombesin stably expressed in CHO cells


Bioorg Med Chem Lett 8: 2589-94 (1999)


Article DOI: 10.1016/s0960-894x(98)00462-4
BindingDB Entry DOI: 10.7270/Q2DB82B4
More data for this
Ligand-Target Pair
NMBR


(Homo sapiens (Human))
BDBM50071744
PNG
(AcBB(7-14) | CHEMBL314375)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(C)=O)C(C)C)C(N)=O
Show InChI InChI=1S/C45H67N13O10S/c1-23(2)16-33(43(66)55-31(39(47)62)14-15-69-7)56-44(67)35(18-28-20-48-22-51-28)54-37(61)21-50-45(68)38(24(3)4)58-40(63)25(5)52-42(65)34(17-27-19-49-30-11-9-8-10-29(27)30)57-41(64)32(53-26(6)59)12-13-36(46)60/h8-11,19-20,22-25,31-35,38,49H,12-18,21H2,1-7H3,(H2,46,60)(H2,47,62)(H,48,51)(H,50,68)(H,52,65)(H,53,59)(H,54,61)(H,55,66)(H,56,67)(H,57,64)(H,58,63)/t25-,31-,32-,33-,34-,35-,38-/m0/s1
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2.10n/an/an/an/an/an/an/an/a



Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
Antagonism of recombinant human bombesin receptor (bb1) labeled with [125I]- [Tyr] bombesin stably expressed in CHO cells


Bioorg Med Chem Lett 8: 2589-94 (1999)


Article DOI: 10.1016/s0960-894x(98)00462-4
BindingDB Entry DOI: 10.7270/Q2DB82B4
More data for this
Ligand-Target Pair
NMBR


(Homo sapiens (Human))
BDBM50288252
PNG
(Bombesin analogue | CHEMBL269432)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(O)=O
Show InChI InChI=1S/C51H72N10O12/c1-28(2)20-36(54-47(68)40(24-34-25-52-27-53-34)56-45(66)38(22-32-12-9-8-10-13-32)57-49(70)42-14-11-19-61(42)31(7)63)44(65)55-37(21-29(3)4)48(69)60-43(30(5)6)50(71)58-39(23-33-15-17-35(64)18-16-33)46(67)59-41(26-62)51(72)73/h8-10,12-13,15-18,25,27-30,36-43,62,64H,11,14,19-24,26H2,1-7H3,(H,52,53)(H,54,68)(H,55,65)(H,56,66)(H,57,70)(H,58,71)(H,59,67)(H,60,69)(H,72,73)/t36-,37-,38-,39-,40-,41-,42-,43-/m0/s1
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2.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against [125 I][4Tyr]-bombesin labeled cloned human NMB receptor stably expressed in CHO cells


Bioorg Med Chem Lett 6: 2617-2622 (1996)


Article DOI: 10.1016/0960-894X(96)00481-7
BindingDB Entry DOI: 10.7270/Q2NC61QD
More data for this
Ligand-Target Pair
BRS3


(Homo sapiens (Human))
BDBM86503
PNG
(CAS_0 | NSC_0 | [D-Tyr6,Beta-Dap11,Phe13,Nle14]Bn(...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)N[N+](=N)[C@H](Cc1cnc[nH]1)NC(=O)C(N)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(C)C)C(N)=O
Show InChI InChI=1S/C56H77N17O10/c1-5-6-15-42(49(60)76)67-55(82)45(24-33-12-8-7-9-13-33)72-73(61)47(26-36-28-62-30-65-36)70-52(79)40(58)29-64-56(83)48(31(2)3)71-50(77)32(4)66-54(81)44(25-35-27-63-41-16-11-10-14-38(35)41)69-53(80)43(21-22-46(59)75)68-51(78)39(57)23-34-17-19-37(74)20-18-34/h7-14,16-20,27-28,30-32,39-40,42-45,47-48,63H,5-6,15,21-26,29,57-58H2,1-4H3,(H14-,59,60,61,62,64,65,66,67,68,69,70,71,72,74,75,76,77,78,79,80,81,82,83)/p+1/t32-,39+,40?,42-,43-,44-,45-,47+,48-/m0/s1
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2.30n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 1161-70 (2004)


Article DOI: 10.1124/jpet.104.066761
BindingDB Entry DOI: 10.7270/Q2513WSQ
More data for this
Ligand-Target Pair
NMBR


(Homo sapiens (Human))
BDBM50071740
PNG
((S)-2-[3-(4-Chloro-phenyl)-ureido]-3-(1H-indol-3-y...)
Show SMILES C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)Nc1ccc(Cl)cc1)C(=O)NCC1(CCCCC1)c1ccccn1
Show InChI InChI=1S/C31H34ClN5O2/c1-30(19-22-20-34-26-10-4-3-9-25(22)26,37-29(39)36-24-14-12-23(32)13-15-24)28(38)35-21-31(16-6-2-7-17-31)27-11-5-8-18-33-27/h3-5,8-15,18,20,34H,2,6-7,16-17,19,21H2,1H3,(H,35,38)(H2,36,37,39)/t30-/m0/s1
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2.80n/an/an/an/an/an/an/an/a



Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
Antagonism of recombinant human bombesin receptor (bb1) labeled with [125I]- [Tyr] bombesin stably expressed in CHO cells


Bioorg Med Chem Lett 8: 2589-94 (1999)


Article DOI: 10.1016/s0960-894x(98)00462-4
BindingDB Entry DOI: 10.7270/Q2DB82B4
More data for this
Ligand-Target Pair
BRS3


(Homo sapiens (Human))
BDBM86512
PNG
(CAS_0 | NSC_0 | [D-Tyr6,(R)-Apa11,Phe13,Nle14]Bn(6...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)N[N+](=N)[C@H](Cc1cnc[nH]1)NC(=O)C[C@@H](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)c1ccccc1)C(N)=O
Show InChI InChI=1S/C62H80N16O10/c1-5-6-20-47(56(65)82)71-61(87)51(29-38-15-9-7-10-16-38)77-78(66)53(31-42-34-67-35-69-42)75-54(81)32-49(40-17-11-8-12-18-40)73-62(88)55(36(2)3)76-57(83)37(4)70-60(86)50(30-41-33-68-46-21-14-13-19-44(41)46)74-59(85)48(26-27-52(64)80)72-58(84)45(63)28-39-22-24-43(79)25-23-39/h7-19,21-25,33-37,45,47-51,53,55,68H,5-6,20,26-32,63H2,1-4H3,(H14-,64,65,66,67,69,70,71,72,73,74,75,76,77,79,80,81,82,83,84,85,86,87,88)/p+1/t37-,45+,47-,48-,49+,50-,51-,53+,55-/m0/s1
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2.80n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 1161-70 (2004)


Article DOI: 10.1124/jpet.104.066761
BindingDB Entry DOI: 10.7270/Q2513WSQ
More data for this
Ligand-Target Pair
NMBR


(Homo sapiens (Human))
BDBM50071753
PNG
((S)-3-(1H-Indol-3-yl)-2-methyl-N-(1-pyridin-2-yl-c...)
Show SMILES C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)Nc1ccc(cc1)C(F)(F)F)C(=O)NCC1(CCCCC1)c1ccccn1
Show InChI InChI=1S/C32H34F3N5O2/c1-30(19-22-20-37-26-10-4-3-9-25(22)26,40-29(42)39-24-14-12-23(13-15-24)32(33,34)35)28(41)38-21-31(16-6-2-7-17-31)27-11-5-8-18-36-27/h3-5,8-15,18,20,37H,2,6-7,16-17,19,21H2,1H3,(H,38,41)(H2,39,40,42)/t30-/m0/s1
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2.90n/an/an/an/an/an/an/an/a



Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
Antagonism of recombinant human bombesin receptor (bb1) labeled with [125I]- [Tyr] bombesin stably expressed in CHO cells


Bioorg Med Chem Lett 8: 2589-94 (1999)


Article DOI: 10.1016/s0960-894x(98)00462-4
BindingDB Entry DOI: 10.7270/Q2DB82B4
More data for this
Ligand-Target Pair
NMBR


(Homo sapiens (Human))
BDBM50071755
PNG
((S)-3-(1H-Indol-3-yl)-N-[1-(2-methoxy-phenyl)-cycl...)
Show SMILES COc1ccccc1C1(CNC(=O)[C@](C)(Cc2c[nH]c3ccccc23)NC(=O)Nc2ccc(cc2)[N+]([O-])=O)CCCCC1
Show InChI InChI=1S/C33H37N5O5/c1-32(20-23-21-34-28-12-6-4-10-26(23)28,37-31(40)36-24-14-16-25(17-15-24)38(41)42)30(39)35-22-33(18-8-3-9-19-33)27-11-5-7-13-29(27)43-2/h4-7,10-17,21,34H,3,8-9,18-20,22H2,1-2H3,(H,35,39)(H2,36,37,40)/t32-/m0/s1
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3.40n/an/an/an/an/an/an/an/a



Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
Antagonism of recombinant human bombesin receptor (bb1) labeled with [125I]- [Tyr] bombesin stably expressed in CHO cells


Bioorg Med Chem Lett 8: 2589-94 (1999)


Article DOI: 10.1016/s0960-894x(98)00462-4
BindingDB Entry DOI: 10.7270/Q2DB82B4
More data for this
Ligand-Target Pair
GRPR


(Homo sapiens (Human))
BDBM50071743
PNG
((S)-3-(1H-Indol-3-yl)-N-[1-(4-methoxy-phenyl)-cycl...)
Show SMILES COc1ccc(cc1)C1(CNC(=O)[C@](C)(Cc2c[nH]c3ccccc23)NC(=O)Nc2ccc(cc2)[N+]([O-])=O)CCCCC1
Show InChI InChI=1S/C33H37N5O5/c1-32(20-23-21-34-29-9-5-4-8-28(23)29,37-31(40)36-25-12-14-26(15-13-25)38(41)42)30(39)35-22-33(18-6-3-7-19-33)24-10-16-27(43-2)17-11-24/h4-5,8-17,21,34H,3,6-7,18-20,22H2,1-2H3,(H,35,39)(H2,36,37,40)/t32-/m0/s1
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3.70n/an/an/an/an/an/an/an/a



Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
In vitro binding affinity at Bombesin BB2 receptor in the presence of [125I]-[Tyr] bombesin.


Bioorg Med Chem Lett 8: 2589-94 (1999)


Article DOI: 10.1016/s0960-894x(98)00462-4
BindingDB Entry DOI: 10.7270/Q2DB82B4
More data for this
Ligand-Target Pair
BRS3


(Homo sapiens (Human))
BDBM50336889
PNG
((2S)-1,1,1-trifluoro-2-[4-(1H-pyrazol-1-yl)phenyl]...)
Show SMILES O[C@@](Cc1ncc(CC2(CC2)C(F)(F)F)[nH]1)(c1ccc(cc1)-n1cccn1)C(F)(F)F
Show InChI InChI=1S/C20H18F6N4O/c21-19(22,23)17(6-7-17)10-14-12-27-16(29-14)11-18(31,20(24,25)26)13-2-4-15(5-3-13)30-9-1-8-28-30/h1-5,8-9,12,31H,6-7,10-11H2,(H,27,29)/t18-/m0/s1
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3.70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-[D-Tyr6,beta-Ala11,Phe13,Nle14]-Bombesin (6-14) from human BRS-3


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
Bombesin 4


(Frog)
BDBM85502
PNG
(PG-L)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CNC(=O)CNC(=O)[C@@H](N)CCC(O)=O)C(C)C)C(N)=O
Show InChI InChI=1S/C62H86N18O16S/c1-33(2)53(62(96)71-30-50(84)74-45(25-37-27-66-32-72-37)60(94)77-43(23-35-11-6-5-7-12-35)59(93)75-41(54(65)88)20-22-97-4)79-55(89)34(3)73-58(92)44(24-36-26-67-40-14-9-8-13-38(36)40)78-57(91)42(17-18-47(64)81)76-61(95)46-15-10-21-80(46)51(85)31-69-48(82)28-68-49(83)29-70-56(90)39(63)16-19-52(86)87/h5-9,11-14,26-27,32-34,39,41-46,53,67H,10,15-25,28-31,63H2,1-4H3,(H2,64,81)(H2,65,88)(H,66,72)(H,68,83)(H,69,82)(H,70,90)(H,71,96)(H,73,92)(H,74,84)(H,75,93)(H,76,95)(H,77,94)(H,78,91)(H,79,89)(H,86,87)/t34-,39-,41-,42-,43-,44-,45-,46-,53-/m0/s1
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5n/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 4


(Frog)
BDBM85486
PNG
(DPhe6-Bn[6-14))
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccccc1)C(C)C)C(N)=O
Show InChI InChI=1S/C52H74N14O10S/c1-28(2)20-39(50(74)62-37(45(55)69)18-19-77-6)64-51(75)41(23-33-25-56-27-59-33)61-43(68)26-58-52(76)44(29(3)4)66-46(70)30(5)60-49(73)40(22-32-24-57-36-15-11-10-14-34(32)36)65-48(72)38(16-17-42(54)67)63-47(71)35(53)21-31-12-8-7-9-13-31/h7-15,24-25,27-30,35,37-41,44,57H,16-23,26,53H2,1-6H3,(H2,54,67)(H2,55,69)(H,56,59)(H,58,76)(H,60,73)(H,61,68)(H,62,74)(H,63,71)(H,64,75)(H,65,72)(H,66,70)/t30-,35+,37-,38-,39-,40-,41-,44-/m0/s1
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5.40n/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
GRPR


(Homo sapiens (Human))
BDBM50071742
PNG
((S)-N-[1-(4-Ethoxy-phenyl)-cyclohexylmethyl]-3-(1H...)
Show SMILES CCOc1ccc(cc1)C1(CNC(=O)[C@](C)(Cc2c[nH]c3ccccc23)NC(=O)Nc2ccc(cc2)[N+]([O-])=O)CCCCC1
Show InChI InChI=1S/C34H39N5O5/c1-3-44-28-17-11-25(12-18-28)34(19-7-4-8-20-34)23-36-31(40)33(2,21-24-22-35-30-10-6-5-9-29(24)30)38-32(41)37-26-13-15-27(16-14-26)39(42)43/h5-6,9-18,22,35H,3-4,7-8,19-21,23H2,1-2H3,(H,36,40)(H2,37,38,41)/t33-/m0/s1
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5.80n/an/an/an/an/an/an/an/a



Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
In vitro binding affinity at Bombesin BB2 receptor in the presence of [125I]-[Tyr] bombesin.


Bioorg Med Chem Lett 8: 2589-94 (1999)


Article DOI: 10.1016/s0960-894x(98)00462-4
BindingDB Entry DOI: 10.7270/Q2DB82B4
More data for this
Ligand-Target Pair
Neuromedin B


(Homo sapiens (Human))
BDBM86502
PNG
(CAS_0 | NSC_0 | [D-Tyr6,Beta-Ala11,Phe13,Nle14]Bn(...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCNC(=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/c1-5-6-15-42(50(60)75)67-55(80)44(26-34-12-8-7-9-13-34)69-56(81)46(28-37-30-61-31-64-37)66-48(74)23-24-62-57(82)49(32(2)3)71-51(76)33(4)65-54(79)45(27-36-29-63-41-16-11-10-14-39(36)41)70-53(78)43(21-22-47(59)73)68-52(77)40(58)25-35-17-19-38(72)20-18-35/h7-14,16-20,29-33,40,42-46,49,63,72H,5-6,15,21-28,58H2,1-4H3,(H2,59,73)(H2,60,75)(H,61,64)(H,62,82)(H,65,79)(H,66,74)(H,67,80)(H,68,77)(H,69,81)(H,70,78)(H,71,76)/t33-,40+,42-,43-,44-,45-,46-,49-/m0/s1
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5.90n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 1161-70 (2004)


Article DOI: 10.1124/jpet.104.066761
BindingDB Entry DOI: 10.7270/Q2513WSQ
More data for this
Ligand-Target Pair
NMBR


(Homo sapiens (Human))
BDBM50071754
PNG
((S)-2-[3-(2,6-Diisopropyl-phenyl)-ureido]-3-(1H-in...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)N[C@@](C)(Cc1c[nH]c2ccccc12)C(=O)NCC1(CCCCC1)c1ccccn1
Show InChI InChI=1S/C37H47N5O2/c1-25(2)28-15-13-16-29(26(3)4)33(28)41-35(44)42-36(5,22-27-23-39-31-17-8-7-14-30(27)31)34(43)40-24-37(19-10-6-11-20-37)32-18-9-12-21-38-32/h7-9,12-18,21,23,25-26,39H,6,10-11,19-20,22,24H2,1-5H3,(H,40,43)(H2,41,42,44)/t36-/m0/s1
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6.30n/an/an/an/an/an/an/an/a



Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
Antagonism of recombinant human bombesin receptor (bb1) labeled with [125I]- [Tyr] bombesin stably expressed in CHO cells


Bioorg Med Chem Lett 8: 2589-94 (1999)


Article DOI: 10.1016/s0960-894x(98)00462-4
BindingDB Entry DOI: 10.7270/Q2DB82B4
More data for this
Ligand-Target Pair
NMBR


(Homo sapiens (Human))
BDBM50071754
PNG
((S)-2-[3-(2,6-Diisopropyl-phenyl)-ureido]-3-(1H-in...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)N[C@@](C)(Cc1c[nH]c2ccccc12)C(=O)NCC1(CCCCC1)c1ccccn1
Show InChI InChI=1S/C37H47N5O2/c1-25(2)28-15-13-16-29(26(3)4)33(28)41-35(44)42-36(5,22-27-23-39-31-17-8-7-14-30(27)31)34(43)40-24-37(19-10-6-11-20-37)32-18-9-12-21-38-32/h7-9,12-18,21,23,25-26,39H,6,10-11,19-20,22,24H2,1-5H3,(H,40,43)(H2,41,42,44)/t36-/m0/s1
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6.30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against [125 I][4Tyr]-bombesin labeled cloned human NMB receptor stably expressed in CHO cells


Bioorg Med Chem Lett 6: 2617-2622 (1996)


Article DOI: 10.1016/0960-894X(96)00481-7
BindingDB Entry DOI: 10.7270/Q2NC61QD
More data for this
Ligand-Target Pair
Neuromedin B receptor


(Homo sapiens (Human))
BDBM50071754
PNG
((S)-2-[3-(2,6-Diisopropyl-phenyl)-ureido]-3-(1H-in...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)N[C@@](C)(Cc1c[nH]c2ccccc12)C(=O)NCC1(CCCCC1)c1ccccn1
Show InChI InChI=1S/C37H47N5O2/c1-25(2)28-15-13-16-29(26(3)4)33(28)41-35(44)42-36(5,22-27-23-39-31-17-8-7-14-30(27)31)34(43)40-24-37(19-10-6-11-20-37)32-18-9-12-21-38-32/h7-9,12-18,21,23,25-26,39H,6,10-11,19-20,22,24H2,1-5H3,(H,40,43)(H2,41,42,44)/t36-/m0/s1
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6.30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against human NMB receptor was determined


Bioorg Med Chem Lett 6: 2617-2622 (1996)


Article DOI: 10.1016/0960-894X(96)00481-7
BindingDB Entry DOI: 10.7270/Q2NC61QD
More data for this
Ligand-Target Pair
GRPR


(Homo sapiens (Human))
BDBM50071750
PNG
((S)-3-(1H-Indol-3-yl)-2-methyl-N-[1-(4-nitro-pheny...)
Show SMILES C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)Nc1ccc(cc1)[N+]([O-])=O)C(=O)NCC1(CCCCC1)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C32H34N6O6/c1-31(19-22-20-33-28-8-4-3-7-27(22)28,36-30(40)35-24-11-15-26(16-12-24)38(43)44)29(39)34-21-32(17-5-2-6-18-32)23-9-13-25(14-10-23)37(41)42/h3-4,7-16,20,33H,2,5-6,17-19,21H2,1H3,(H,34,39)(H2,35,36,40)/t31-/m0/s1
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6.40n/an/an/an/an/an/an/an/a



Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
In vitro binding affinity at Bombesin BB2 receptor in the presence of [125I]-[Tyr] bombesin.


Bioorg Med Chem Lett 8: 2589-94 (1999)


Article DOI: 10.1016/s0960-894x(98)00462-4
BindingDB Entry DOI: 10.7270/Q2DB82B4
More data for this
Ligand-Target Pair
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