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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


(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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n/an/an/an/a 0.0600n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at recombinant gastrin releasing peptide receptor (unknown origin) expressed in baculovirus-transduced HEK293 cells assessed as intr...


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
BRS3


(HUMAN)
BDBM50127518
PNG
(CHEMBL57104 | peptidomimetic)
Show SMILES Clc1ccc(CC(=O)NNC(=O)NC(Cc2c[nH]c3ccccc23)C(=O)NCCc2ccccc2)cc1
Show InChI InChI=1S/C28H28ClN5O3/c29-22-12-10-20(11-13-22)16-26(35)33-34-28(37)32-25(17-21-18-31-24-9-5-4-8-23(21)24)27(36)30-15-14-19-6-2-1-3-7-19/h1-13,18,25,31H,14-17H2,(H,30,36)(H,33,35)(H2,32,34,37)
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n/an/an/an/a 0.190n/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Effective concentration required against human bombesin receptor 3 (BRS-3) in CHO cells by using FLIPR assay.


J Med Chem 46: 1918-30 (2003)


Article DOI: 10.1021/jm0210921
BindingDB Entry DOI: 10.7270/Q29S1QDS
More data for this
Ligand-Target Pair
GRPR


(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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n/an/an/an/a 0.258n/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of 125I[Tyr4]-bombesin from GRPR expressed in human PC3 cells


Bioorg Med Chem Lett 18: 2424-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.051
BindingDB Entry DOI: 10.7270/Q2WM1F87
More data for this
Ligand-Target Pair
GRPR


(HUMAN)
BDBM50374870
PNG
(CHEMBL272335)
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)CCCCCCCNC(=O)CCCCCN)C(C)C)C(N)=O
Show InChI InChI=1S/C57H91N15O11S/c1-34(2)27-43(55(81)69-41(51(60)77)23-26-84-6)70-56(82)45(29-38-31-61-33-65-38)68-49(76)32-64-57(83)50(35(3)4)72-52(78)36(5)66-54(80)44(28-37-30-63-40-18-14-13-17-39(37)40)71-53(79)42(21-22-46(59)73)67-48(75)20-11-8-7-9-16-25-62-47(74)19-12-10-15-24-58/h13-14,17-18,30-31,33-36,41-45,50,63H,7-12,15-16,19-29,32,58H2,1-6H3,(H2,59,73)(H2,60,77)(H,61,65)(H,62,74)(H,64,83)(H,66,80)(H,67,75)(H,68,76)(H,69,81)(H,70,82)(H,71,79)(H,72,78)/t36-,41-,42-,43-,44-,45-,50-/m0/s1
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n/an/an/an/a 0.373n/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of 125I[Tyr4]-bombesin from GRPR expressed in human PC3 cells


Bioorg Med Chem Lett 18: 2424-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.051
BindingDB Entry DOI: 10.7270/Q2WM1F87
More data for this
Ligand-Target Pair
NMBR


(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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n/an/an/an/a 0.550n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at recombinant neuromedin B receptor (unknown origin) expressed in baculovirus-transduced HEK293 cells assessed as intracellular cal...


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
Bombesin receptor subtype-3


(Mus musculus)
BDBM50447496
PNG
(CHEMBL3115400)
Show SMILES Cc1ccc(Oc2cccc(CC(=O)N3CCNc4nc(ccc4C3)C(F)(F)F)c2)cc1
Show InChI InChI=1S/C24H22F3N3O2/c1-16-5-8-19(9-6-16)32-20-4-2-3-17(13-20)14-22(31)30-12-11-28-23-18(15-30)7-10-21(29-23)24(25,26)27/h2-10,13H,11-12,14-15H2,1H3,(H,28,29)
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n/an/an/an/a 1n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at mouse BRS3 expressed in CHO-K1 cells by IP-One HTRF assay


Bioorg Med Chem 23: 89-104 (2014)


Article DOI: 10.1016/j.bmc.2014.11.018
BindingDB Entry DOI: 10.7270/Q2VT1TPX
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Mus musculus)
BDBM50447496
PNG
(CHEMBL3115400)
Show SMILES Cc1ccc(Oc2cccc(CC(=O)N3CCNc4nc(ccc4C3)C(F)(F)F)c2)cc1
Show InChI InChI=1S/C24H22F3N3O2/c1-16-5-8-19(9-6-16)32-20-4-2-3-17(13-20)14-22(31)30-12-11-28-23-18(15-30)7-10-21(29-23)24(25,26)27/h2-10,13H,11-12,14-15H2,1H3,(H,28,29)
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n/an/an/an/a 1n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at mouse BRS-3 expressed in CHOK1 cells after 1 hr by HTRF assay


Bioorg Med Chem Lett 24: 750-5 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.106
BindingDB Entry DOI: 10.7270/Q2J967WH
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50447496
PNG
(CHEMBL3115400)
Show SMILES Cc1ccc(Oc2cccc(CC(=O)N3CCNc4nc(ccc4C3)C(F)(F)F)c2)cc1
Show InChI InChI=1S/C24H22F3N3O2/c1-16-5-8-19(9-6-16)32-20-4-2-3-17(13-20)14-22(31)30-12-11-28-23-18(15-30)7-10-21(29-23)24(25,26)27/h2-10,13H,11-12,14-15H2,1H3,(H,28,29)
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n/an/an/an/a 1.30n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human BRS3 expressed in CHO-K1 cells by IP-One HTRF assay


Bioorg Med Chem 23: 89-104 (2014)


Article DOI: 10.1016/j.bmc.2014.11.018
BindingDB Entry DOI: 10.7270/Q2VT1TPX
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50447496
PNG
(CHEMBL3115400)
Show SMILES Cc1ccc(Oc2cccc(CC(=O)N3CCNc4nc(ccc4C3)C(F)(F)F)c2)cc1
Show InChI InChI=1S/C24H22F3N3O2/c1-16-5-8-19(9-6-16)32-20-4-2-3-17(13-20)14-22(31)30-12-11-28-23-18(15-30)7-10-21(29-23)24(25,26)27/h2-10,13H,11-12,14-15H2,1H3,(H,28,29)
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n/an/an/an/a 1.30n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human BRS-3 expressed in CHOK1 cells after 1 hr by HTRF assay


Bioorg Med Chem Lett 24: 750-5 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.106
BindingDB Entry DOI: 10.7270/Q2J967WH
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50127544
PNG
(CHEMBL56369 | peptidomimetic)
Show SMILES O=C(Cc1cccnc1)NNC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C27H28N6O3/c34-25(15-20-9-6-13-28-17-20)32-33-27(36)31-24(16-21-18-30-23-11-5-4-10-22(21)23)26(35)29-14-12-19-7-2-1-3-8-19/h1-11,13,17-18,24,30H,12,14-16H2,(H,29,35)(H,32,34)(H2,31,33,36)
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n/an/an/an/a 1.40n/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Effective concentration required against human bombesin receptor 3 (BRS-3) in CHO cells by using FLIPR assay.


J Med Chem 46: 1918-30 (2003)


Article DOI: 10.1021/jm0210921
BindingDB Entry DOI: 10.7270/Q29S1QDS
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50381914
PNG
(CHEMBL2023109 | MK-7725)
Show SMILES CC(C)(O)c1nc(no1)-c1cccc2Nc3nc(ccc3CN(c12)S(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(F)(F)F
Show InChI InChI=1S/C25H19F6N5O5S/c1-23(2,37)22-34-21(35-41-22)16-4-3-5-17-19(16)36(12-13-6-11-18(24(26,27)28)33-20(13)32-17)42(38,39)15-9-7-14(8-10-15)40-25(29,30)31/h3-11,37H,12H2,1-2H3,(H,32,33)
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n/an/an/an/a 1.40n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human BRS-3 expressed in CHOK1 cells after 1 hr by HTRF assay


Bioorg Med Chem Lett 24: 750-5 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.106
BindingDB Entry DOI: 10.7270/Q2J967WH
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50127520
PNG
(CHEMBL57438 | peptidomimetic)
Show SMILES O=C(NN=Cc1ccco1)NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C25H25N5O3/c31-24(26-13-12-18-7-2-1-3-8-18)23(15-19-16-27-22-11-5-4-10-21(19)22)29-25(32)30-28-17-20-9-6-14-33-20/h1-11,14,16-17,23,27H,12-13,15H2,(H,26,31)(H2,29,30,32)
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n/an/an/an/a 1.5n/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Effective concentration required against human bombesin receptor 3 (BRS-3) in CHO cells by using FLIPR assay.


J Med Chem 46: 1918-30 (2003)


Article DOI: 10.1021/jm0210921
BindingDB Entry DOI: 10.7270/Q29S1QDS
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50447479
PNG
(CHEMBL3115386)
Show SMILES OC(=O)C[C@H]1N(CCNc2nc(ccc12)C(F)(F)F)C(=O)Cc1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C25H22F3N3O4/c26-25(27,28)21-10-9-19-20(15-23(33)34)31(12-11-29-24(19)30-21)22(32)14-16-5-4-8-18(13-16)35-17-6-2-1-3-7-17/h1-10,13,20H,11-12,14-15H2,(H,29,30)(H,33,34)/t20-/m1/s1
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n/an/an/an/a 1.60n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human BRS-3 expressed in CHOK1 cells after 1 hr by HTRF assay


Bioorg Med Chem Lett 24: 750-5 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.106
BindingDB Entry DOI: 10.7270/Q2J967WH
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50447479
PNG
(CHEMBL3115386)
Show SMILES OC(=O)C[C@H]1N(CCNc2nc(ccc12)C(F)(F)F)C(=O)Cc1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C25H22F3N3O4/c26-25(27,28)21-10-9-19-20(15-23(33)34)31(12-11-29-24(19)30-21)22(32)14-16-5-4-8-18(13-16)35-17-6-2-1-3-7-17/h1-10,13,20H,11-12,14-15H2,(H,29,30)(H,33,34)/t20-/m1/s1
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n/an/an/an/a 1.60n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human BRS3 expressed in CHO-K1 cells by IP-One HTRF assay


Bioorg Med Chem 23: 89-104 (2014)


Article DOI: 10.1016/j.bmc.2014.11.018
BindingDB Entry DOI: 10.7270/Q2VT1TPX
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50447477
PNG
(CHEMBL3115388)
Show SMILES OC(=O)C[C@H]1N(CCNc2nc(ccc12)C(F)(F)F)C(=O)Cc1cccc(Oc2ccc(F)cc2)c1
Show InChI InChI=1S/C25H21F4N3O4/c26-16-4-6-17(7-5-16)36-18-3-1-2-15(12-18)13-22(33)32-11-10-30-24-19(20(32)14-23(34)35)8-9-21(31-24)25(27,28)29/h1-9,12,20H,10-11,13-14H2,(H,30,31)(H,34,35)/t20-/m1/s1
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n/an/an/an/a 1.70n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human BRS-3 expressed in CHOK1 cells after 1 hr by HTRF assay


Bioorg Med Chem Lett 24: 750-5 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.106
BindingDB Entry DOI: 10.7270/Q2J967WH
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50447475
PNG
(CHEMBL3115390)
Show SMILES Cc1ccc(Oc2cccc(CC(=O)N3CCNc4nc(ccc4[C@H]3CC(O)=O)C(F)(F)F)c2)cn1
Show InChI InChI=1S/C25H23F3N4O4/c1-15-5-6-18(14-30-15)36-17-4-2-3-16(11-17)12-22(33)32-10-9-29-24-19(20(32)13-23(34)35)7-8-21(31-24)25(26,27)28/h2-8,11,14,20H,9-10,12-13H2,1H3,(H,29,31)(H,34,35)/t20-/m1/s1
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human BRS3 expressed in CHO-K1 cells by IP-One HTRF assay


Bioorg Med Chem 23: 89-104 (2014)


Article DOI: 10.1016/j.bmc.2014.11.018
BindingDB Entry DOI: 10.7270/Q2VT1TPX
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50447477
PNG
(CHEMBL3115388)
Show SMILES OC(=O)C[C@H]1N(CCNc2nc(ccc12)C(F)(F)F)C(=O)Cc1cccc(Oc2ccc(F)cc2)c1
Show InChI InChI=1S/C25H21F4N3O4/c26-16-4-6-17(7-5-16)36-18-3-1-2-15(12-18)13-22(33)32-11-10-30-24-19(20(32)14-23(34)35)8-9-21(31-24)25(27,28)29/h1-9,12,20H,10-11,13-14H2,(H,30,31)(H,34,35)/t20-/m1/s1
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n/an/an/an/a 1.70n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human BRS3 expressed in CHO-K1 cells by IP-One HTRF assay


Bioorg Med Chem 23: 89-104 (2014)


Article DOI: 10.1016/j.bmc.2014.11.018
BindingDB Entry DOI: 10.7270/Q2VT1TPX
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50447475
PNG
(CHEMBL3115390)
Show SMILES Cc1ccc(Oc2cccc(CC(=O)N3CCNc4nc(ccc4[C@H]3CC(O)=O)C(F)(F)F)c2)cn1
Show InChI InChI=1S/C25H23F3N4O4/c1-15-5-6-18(14-30-15)36-17-4-2-3-16(11-17)12-22(33)32-10-9-29-24-19(20(32)13-23(34)35)7-8-21(31-24)25(26,27)28/h2-8,11,14,20H,9-10,12-13H2,1H3,(H,29,31)(H,34,35)/t20-/m1/s1
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n/an/an/an/a 1.70n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human BRS-3 expressed in CHOK1 cells after 1 hr by HTRF assay


Bioorg Med Chem Lett 24: 750-5 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.106
BindingDB Entry DOI: 10.7270/Q2J967WH
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50127539
PNG
(3-(1H-Indol-3-yl)-N-phenethyl-2-(2-phenylacetylami...)
Show SMILES CC(NC(=O)Cc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C30H32N4O3/c1-21(33-28(35)18-23-12-6-3-7-13-23)29(36)34-27(19-24-20-32-26-15-9-8-14-25(24)26)30(37)31-17-16-22-10-4-2-5-11-22/h2-15,20-21,27,32H,16-19H2,1H3,(H,31,37)(H,33,35)(H,34,36)
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n/an/an/an/a 2.10n/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Effective concentration required against human bombesin receptor 3 (BRS-3) in CHO cells by using FLIPR assay.


J Med Chem 46: 1918-30 (2003)


Article DOI: 10.1021/jm0210921
BindingDB Entry DOI: 10.7270/Q29S1QDS
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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n/an/an/an/a 2.20n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at rat BRS-3 expressed in HEK293AEQ cells assessed as induction of intracellular calcium mobilization by aequorin bioluminescence as...


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
BRS3


(HUMAN)
BDBM50127527
PNG
(CHEMBL294647 | peptidomimetic)
Show SMILES O=C(Cc1cc2ccccc2[nH]1)NNC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C30H30N6O3/c37-28(18-23-16-21-10-4-6-12-25(21)33-23)35-36-30(39)34-27(17-22-19-32-26-13-7-5-11-24(22)26)29(38)31-15-14-20-8-2-1-3-9-20/h1-13,16,19,27,32-33H,14-15,17-18H2,(H,31,38)(H,35,37)(H2,34,36,39)
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n/an/an/an/a 2.20n/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Effective concentration required against human bombesin receptor 3 (BRS-3) in CHO cells by using FLIPR assay.


J Med Chem 46: 1918-30 (2003)


Article DOI: 10.1021/jm0210921
BindingDB Entry DOI: 10.7270/Q29S1QDS
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Mus musculus)
BDBM50447497
PNG
(CHEMBL3115399)
Show SMILES Fc1ccc(Oc2cccc(CC(=O)N3CCNc4nc(ccc4C3)C(F)(F)F)c2)cc1
Show InChI InChI=1S/C23H19F4N3O2/c24-17-5-7-18(8-6-17)32-19-3-1-2-15(12-19)13-21(31)30-11-10-28-22-16(14-30)4-9-20(29-22)23(25,26)27/h1-9,12H,10-11,13-14H2,(H,28,29)
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n/an/an/an/a 2.70n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at mouse BRS3 expressed in CHO-K1 cells by IP-One HTRF assay


Bioorg Med Chem 23: 89-104 (2014)


Article DOI: 10.1016/j.bmc.2014.11.018
BindingDB Entry DOI: 10.7270/Q2VT1TPX
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Mus musculus)
BDBM50447497
PNG
(CHEMBL3115399)
Show SMILES Fc1ccc(Oc2cccc(CC(=O)N3CCNc4nc(ccc4C3)C(F)(F)F)c2)cc1
Show InChI InChI=1S/C23H19F4N3O2/c24-17-5-7-18(8-6-17)32-19-3-1-2-15(12-19)13-21(31)30-11-10-28-22-16(14-30)4-9-20(29-22)23(25,26)27/h1-9,12H,10-11,13-14H2,(H,28,29)
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n/an/an/an/a 2.70n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at mouse BRS-3 expressed in CHOK1 cells after 1 hr by HTRF assay


Bioorg Med Chem Lett 24: 750-5 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.106
BindingDB Entry DOI: 10.7270/Q2J967WH
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Mus musculus)
BDBM50447477
PNG
(CHEMBL3115388)
Show SMILES OC(=O)C[C@H]1N(CCNc2nc(ccc12)C(F)(F)F)C(=O)Cc1cccc(Oc2ccc(F)cc2)c1
Show InChI InChI=1S/C25H21F4N3O4/c26-16-4-6-17(7-5-16)36-18-3-1-2-15(12-18)13-22(33)32-11-10-30-24-19(20(32)14-23(34)35)8-9-21(31-24)25(27,28)29/h1-9,12,20H,10-11,13-14H2,(H,30,31)(H,34,35)/t20-/m1/s1
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n/an/an/an/a 2.70n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at mouse BRS3 expressed in CHO-K1 cells by IP-One HTRF assay


Bioorg Med Chem 23: 89-104 (2014)


Article DOI: 10.1016/j.bmc.2014.11.018
BindingDB Entry DOI: 10.7270/Q2VT1TPX
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Mus musculus)
BDBM50447477
PNG
(CHEMBL3115388)
Show SMILES OC(=O)C[C@H]1N(CCNc2nc(ccc12)C(F)(F)F)C(=O)Cc1cccc(Oc2ccc(F)cc2)c1
Show InChI InChI=1S/C25H21F4N3O4/c26-16-4-6-17(7-5-16)36-18-3-1-2-15(12-18)13-22(33)32-11-10-30-24-19(20(32)14-23(34)35)8-9-21(31-24)25(27,28)29/h1-9,12,20H,10-11,13-14H2,(H,30,31)(H,34,35)/t20-/m1/s1
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n/an/an/an/a 2.70n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at mouse BRS-3 expressed in CHOK1 cells after 1 hr by HTRF assay


Bioorg Med Chem Lett 24: 750-5 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.106
BindingDB Entry DOI: 10.7270/Q2J967WH
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Mus musculus)
BDBM50447492
PNG
(CHEMBL3115373)
Show SMILES Cc1ccc(Oc2cccc(CC(=O)N3CCNc4nc(ccc4C3)C(F)(F)F)c2)cn1
Show InChI InChI=1S/C23H21F3N4O2/c1-15-5-7-19(13-28-15)32-18-4-2-3-16(11-18)12-21(31)30-10-9-27-22-17(14-30)6-8-20(29-22)23(24,25)26/h2-8,11,13H,9-10,12,14H2,1H3,(H,27,29)
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n/an/an/an/a 2.80n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at mouse BRS3 expressed in CHO-K1 cells by IP-One HTRF assay


Bioorg Med Chem 23: 89-104 (2014)


Article DOI: 10.1016/j.bmc.2014.11.018
BindingDB Entry DOI: 10.7270/Q2VT1TPX
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Mus musculus)
BDBM50447492
PNG
(CHEMBL3115373)
Show SMILES Cc1ccc(Oc2cccc(CC(=O)N3CCNc4nc(ccc4C3)C(F)(F)F)c2)cn1
Show InChI InChI=1S/C23H21F3N4O2/c1-15-5-7-19(13-28-15)32-18-4-2-3-16(11-18)12-21(31)30-10-9-27-22-17(14-30)6-8-20(29-22)23(24,25)26/h2-8,11,13H,9-10,12,14H2,1H3,(H,27,29)
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n/an/an/an/a 2.80n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at mouse BRS-3 expressed in CHOK1 cells after 1 hr by HTRF assay


Bioorg Med Chem Lett 24: 750-5 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.106
BindingDB Entry DOI: 10.7270/Q2J967WH
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Mus musculus)
BDBM50314969
PNG
(2-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)et...)
Show SMILES CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2ccccn2)[nH]1
Show InChI InChI=1S/C22H27N3/c1-4-22(2,3)15-19-16-24-21(25-19)13-10-17-8-11-18(12-9-17)20-7-5-6-14-23-20/h5-9,11-12,14,16H,4,10,13,15H2,1-3H3,(H,24,25)
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n/an/an/an/a 2.80n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at mouse BRS-3 expressed in HEK293 cells coexpressing AEQ over 10 mins by aequorin bioluminescence assay


Bioorg Med Chem Lett 20: 2074-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.076
BindingDB Entry DOI: 10.7270/Q2XW4JX6
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Mus musculus)
BDBM50316914
PNG
(5-((4'-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)...)
Show SMILES CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2ccccc2OCc2nnn[nH]2)[nH]1
Show InChI InChI=1S/C25H30N6O/c1-4-25(2,3)15-20-16-26-23(27-20)14-11-18-9-12-19(13-10-18)21-7-5-6-8-22(21)32-17-24-28-30-31-29-24/h5-10,12-13,16H,4,11,14-15,17H2,1-3H3,(H,26,27)(H,28,29,30,31)
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n/an/an/an/a 2.90n/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Agonist activity at mouse BRS3


Bioorg Med Chem Lett 20: 2912-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.028
BindingDB Entry DOI: 10.7270/Q2416X7S
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50127529
PNG
(2-[2-(4-Chloro-benzylamino)-acetylamino]-3-(1H-ind...)
Show SMILES Clc1ccc(CNCC(=O)NC(Cc2c[nH]c3ccccc23)C(=O)NCCc2ccccc2)cc1
Show InChI InChI=1S/C28H29ClN4O2/c29-23-12-10-21(11-13-23)17-30-19-27(34)33-26(16-22-18-32-25-9-5-4-8-24(22)25)28(35)31-15-14-20-6-2-1-3-7-20/h1-13,18,26,30,32H,14-17,19H2,(H,31,35)(H,33,34)
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n/an/an/an/a 2.90n/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Effective concentration required against human bombesin receptor 3 (BRS-3) in CHO cells by using FLIPR assay.


J Med Chem 46: 1918-30 (2003)


Article DOI: 10.1021/jm0210921
BindingDB Entry DOI: 10.7270/Q29S1QDS
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50127547
PNG
(CHEMBL57559 | peptidomimetic)
Show SMILES O=C(Cc1ccccc1)NNC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C28H29N5O3/c34-26(17-21-11-5-2-6-12-21)32-33-28(36)31-25(18-22-19-30-24-14-8-7-13-23(22)24)27(35)29-16-15-20-9-3-1-4-10-20/h1-14,19,25,30H,15-18H2,(H,29,35)(H,32,34)(H2,31,33,36)
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n/an/an/an/a 3.10n/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Effective concentration required against human bombesin receptor 3 (BRS-3) in CHO cells by using FLIPR assay.


J Med Chem 46: 1918-30 (2003)


Article DOI: 10.1021/jm0210921
BindingDB Entry DOI: 10.7270/Q29S1QDS
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Mus musculus)
BDBM50314977
PNG
(5-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)et...)
Show SMILES CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2ccns2)[nH]1
Show InChI InChI=1S/C20H25N3S/c1-4-20(2,3)13-17-14-21-19(23-17)10-7-15-5-8-16(9-6-15)18-11-12-22-24-18/h5-6,8-9,11-12,14H,4,7,10,13H2,1-3H3,(H,21,23)
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n/an/an/an/a 3.10n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at mouse BRS-3 expressed in HEK293 cells coexpressing AEQ over 10 mins by aequorin bioluminescence assay


Bioorg Med Chem Lett 20: 2074-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.076
BindingDB Entry DOI: 10.7270/Q2XW4JX6
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Mus musculus)
BDBM50447479
PNG
(CHEMBL3115386)
Show SMILES OC(=O)C[C@H]1N(CCNc2nc(ccc12)C(F)(F)F)C(=O)Cc1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C25H22F3N3O4/c26-25(27,28)21-10-9-19-20(15-23(33)34)31(12-11-29-24(19)30-21)22(32)14-16-5-4-8-18(13-16)35-17-6-2-1-3-7-17/h1-10,13,20H,11-12,14-15H2,(H,29,30)(H,33,34)/t20-/m1/s1
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n/an/an/an/a 3.40n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at mouse BRS3 expressed in CHO-K1 cells by IP-One HTRF assay


Bioorg Med Chem 23: 89-104 (2014)


Article DOI: 10.1016/j.bmc.2014.11.018
BindingDB Entry DOI: 10.7270/Q2VT1TPX
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Mus musculus)
BDBM50447479
PNG
(CHEMBL3115386)
Show SMILES OC(=O)C[C@H]1N(CCNc2nc(ccc12)C(F)(F)F)C(=O)Cc1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C25H22F3N3O4/c26-25(27,28)21-10-9-19-20(15-23(33)34)31(12-11-29-24(19)30-21)22(32)14-16-5-4-8-18(13-16)35-17-6-2-1-3-7-17/h1-10,13,20H,11-12,14-15H2,(H,29,30)(H,33,34)/t20-/m1/s1
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n/an/an/an/a 3.40n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at mouse BRS-3 expressed in CHOK1 cells after 1 hr by HTRF assay


Bioorg Med Chem Lett 24: 750-5 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.106
BindingDB Entry DOI: 10.7270/Q2J967WH
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50041425
PNG
(CHEMBL3356412)
Show SMILES OC(=O)C[C@H]1N(CCNc2nc(ccc12)C(F)(F)F)C(=O)Cc1cccc(c1)C(=O)OCC1CC1
Show InChI InChI=1S/C24H24F3N3O5/c25-24(26,27)19-7-6-17-18(12-21(32)33)30(9-8-28-22(17)29-19)20(31)11-15-2-1-3-16(10-15)23(34)35-13-14-4-5-14/h1-3,6-7,10,14,18H,4-5,8-9,11-13H2,(H,28,29)(H,32,33)/t18-/m1/s1
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n/an/an/an/a 3.40n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human BRS3 expressed in CHO-K1 cells by IP-One HTRF assay


Bioorg Med Chem 23: 89-104 (2014)


Article DOI: 10.1016/j.bmc.2014.11.018
BindingDB Entry DOI: 10.7270/Q2VT1TPX
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Mus musculus)
BDBM50447475
PNG
(CHEMBL3115390)
Show SMILES Cc1ccc(Oc2cccc(CC(=O)N3CCNc4nc(ccc4[C@H]3CC(O)=O)C(F)(F)F)c2)cn1
Show InChI InChI=1S/C25H23F3N4O4/c1-15-5-6-18(14-30-15)36-17-4-2-3-16(11-17)12-22(33)32-10-9-29-24-19(20(32)13-23(34)35)7-8-21(31-24)25(26,27)28/h2-8,11,14,20H,9-10,12-13H2,1H3,(H,29,31)(H,34,35)/t20-/m1/s1
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n/an/an/an/a 3.5n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at mouse BRS3 expressed in CHO-K1 cells by IP-One HTRF assay


Bioorg Med Chem 23: 89-104 (2014)


Article DOI: 10.1016/j.bmc.2014.11.018
BindingDB Entry DOI: 10.7270/Q2VT1TPX
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Mus musculus)
BDBM50447499
PNG
(CHEMBL3115397)
Show SMILES Fc1ccccc1Oc1cccc(CC(=O)N2CCNc3nc(ccc3C2)C(F)(F)F)c1
Show InChI InChI=1S/C23H19F4N3O2/c24-18-6-1-2-7-19(18)32-17-5-3-4-15(12-17)13-21(31)30-11-10-28-22-16(14-30)8-9-20(29-22)23(25,26)27/h1-9,12H,10-11,13-14H2,(H,28,29)
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n/an/an/an/a 3.5n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at mouse BRS-3 expressed in CHOK1 cells after 1 hr by HTRF assay


Bioorg Med Chem Lett 24: 750-5 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.106
BindingDB Entry DOI: 10.7270/Q2J967WH
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Mus musculus)
BDBM50447475
PNG
(CHEMBL3115390)
Show SMILES Cc1ccc(Oc2cccc(CC(=O)N3CCNc4nc(ccc4[C@H]3CC(O)=O)C(F)(F)F)c2)cn1
Show InChI InChI=1S/C25H23F3N4O4/c1-15-5-6-18(14-30-15)36-17-4-2-3-16(11-17)12-22(33)32-10-9-29-24-19(20(32)13-23(34)35)7-8-21(31-24)25(26,27)28/h2-8,11,14,20H,9-10,12-13H2,1H3,(H,29,31)(H,34,35)/t20-/m1/s1
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n/an/an/an/a 3.5n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at mouse BRS-3 expressed in CHOK1 cells after 1 hr by HTRF assay


Bioorg Med Chem Lett 24: 750-5 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.106
BindingDB Entry DOI: 10.7270/Q2J967WH
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50447497
PNG
(CHEMBL3115399)
Show SMILES Fc1ccc(Oc2cccc(CC(=O)N3CCNc4nc(ccc4C3)C(F)(F)F)c2)cc1
Show InChI InChI=1S/C23H19F4N3O2/c24-17-5-7-18(8-6-17)32-19-3-1-2-15(12-19)13-21(31)30-11-10-28-22-16(14-30)4-9-20(29-22)23(25,26)27/h1-9,12H,10-11,13-14H2,(H,28,29)
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n/an/an/an/a 3.60n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human BRS-3 expressed in CHOK1 cells after 1 hr by HTRF assay


Bioorg Med Chem Lett 24: 750-5 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.106
BindingDB Entry DOI: 10.7270/Q2J967WH
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50447497
PNG
(CHEMBL3115399)
Show SMILES Fc1ccc(Oc2cccc(CC(=O)N3CCNc4nc(ccc4C3)C(F)(F)F)c2)cc1
Show InChI InChI=1S/C23H19F4N3O2/c24-17-5-7-18(8-6-17)32-19-3-1-2-15(12-19)13-21(31)30-11-10-28-22-16(14-30)4-9-20(29-22)23(25,26)27/h1-9,12H,10-11,13-14H2,(H,28,29)
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n/an/an/an/a 3.60n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human BRS3 expressed in CHO-K1 cells by IP-One HTRF assay


Bioorg Med Chem 23: 89-104 (2014)


Article DOI: 10.1016/j.bmc.2014.11.018
BindingDB Entry DOI: 10.7270/Q2VT1TPX
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Mus musculus)
BDBM50041425
PNG
(CHEMBL3356412)
Show SMILES OC(=O)C[C@H]1N(CCNc2nc(ccc12)C(F)(F)F)C(=O)Cc1cccc(c1)C(=O)OCC1CC1
Show InChI InChI=1S/C24H24F3N3O5/c25-24(26,27)19-7-6-17-18(12-21(32)33)30(9-8-28-22(17)29-19)20(31)11-15-2-1-3-16(10-15)23(34)35-13-14-4-5-14/h1-3,6-7,10,14,18H,4-5,8-9,11-13H2,(H,28,29)(H,32,33)/t18-/m1/s1
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n/an/an/an/a 3.70n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at mouse BRS3 expressed in CHO-K1 cells by IP-One HTRF assay


Bioorg Med Chem 23: 89-104 (2014)


Article DOI: 10.1016/j.bmc.2014.11.018
BindingDB Entry DOI: 10.7270/Q2VT1TPX
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Mus musculus)
BDBM50314974
PNG
(6-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)et...)
Show SMILES CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2cccc(N)n2)[nH]1
Show InChI InChI=1S/C22H28N4/c1-4-22(2,3)14-18-15-24-21(25-18)13-10-16-8-11-17(12-9-16)19-6-5-7-20(23)26-19/h5-9,11-12,15H,4,10,13-14H2,1-3H3,(H2,23,26)(H,24,25)
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n/an/an/an/a 3.90n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at mouse BRS-3 expressed in HEK293 cells coexpressing AEQ over 10 mins by aequorin bioluminescence assay


Bioorg Med Chem Lett 20: 2074-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.076
BindingDB Entry DOI: 10.7270/Q2XW4JX6
More data for this
Ligand-Target Pair
BRS3


(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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n/an/an/an/a 3.90n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at recombinant BRS-3 receptor (unknown origin) expressed in baculovirus-transduced HEK293 cells assessed as intracellular calcium mo...


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
BRS3


(HUMAN)
BDBM50127549
PNG
(2-(4-Chloro-benzylamino)-N-[2-(1H-indol-3-yl)-1-ph...)
Show SMILES CC(NCc1ccc(Cl)cc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C29H31ClN4O2/c1-20(32-18-22-11-13-24(30)14-12-22)28(35)34-27(17-23-19-33-26-10-6-5-9-25(23)26)29(36)31-16-15-21-7-3-2-4-8-21/h2-14,19-20,27,32-33H,15-18H2,1H3,(H,31,36)(H,34,35)
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n/an/an/an/a 4n/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Effective concentration required against human bombesin receptor 3 (BRS-3) in CHO cells by using FLIPR assay.


J Med Chem 46: 1918-30 (2003)


Article DOI: 10.1021/jm0210921
BindingDB Entry DOI: 10.7270/Q29S1QDS
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50041424
PNG
(CHEMBL3356411)
Show SMILES CCCCOC(=O)c1cccc(CC(=O)N2CCNc3nc(ccc3[C@H]2CC(O)=O)C(F)(F)F)c1
Show InChI InChI=1S/C24H26F3N3O5/c1-2-3-11-35-23(34)16-6-4-5-15(12-16)13-20(31)30-10-9-28-22-17(18(30)14-21(32)33)7-8-19(29-22)24(25,26)27/h4-8,12,18H,2-3,9-11,13-14H2,1H3,(H,28,29)(H,32,33)/t18-/m1/s1
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n/an/an/an/a 4n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human BRS3 expressed in CHO-K1 cells by IP-One HTRF assay


Bioorg Med Chem 23: 89-104 (2014)


Article DOI: 10.1016/j.bmc.2014.11.018
BindingDB Entry DOI: 10.7270/Q2VT1TPX
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50041423
PNG
(CHEMBL3356410)
Show SMILES CC(C)COC(=O)c1cccc(CC(=O)N2CCNc3nc(ccc3[C@H]2CC(O)=O)C(F)(F)F)c1
Show InChI InChI=1S/C24H26F3N3O5/c1-14(2)13-35-23(34)16-5-3-4-15(10-16)11-20(31)30-9-8-28-22-17(18(30)12-21(32)33)6-7-19(29-22)24(25,26)27/h3-7,10,14,18H,8-9,11-13H2,1-2H3,(H,28,29)(H,32,33)/t18-/m1/s1
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n/an/an/an/a 4.20n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human BRS3 expressed in CHO-K1 cells by IP-One HTRF assay


Bioorg Med Chem 23: 89-104 (2014)


Article DOI: 10.1016/j.bmc.2014.11.018
BindingDB Entry DOI: 10.7270/Q2VT1TPX
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Mus musculus)
BDBM50314970
PNG
(3-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)et...)
Show SMILES CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2cccnc2)[nH]1
Show InChI InChI=1S/C22H27N3/c1-4-22(2,3)14-20-16-24-21(25-20)12-9-17-7-10-18(11-8-17)19-6-5-13-23-15-19/h5-8,10-11,13,15-16H,4,9,12,14H2,1-3H3,(H,24,25)
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n/an/an/an/a 4.30n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at mouse BRS-3 expressed in HEK293 cells coexpressing AEQ over 10 mins by aequorin bioluminescence assay


Bioorg Med Chem Lett 20: 2074-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.076
BindingDB Entry DOI: 10.7270/Q2XW4JX6
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Mus musculus)
BDBM50316912
PNG
(5-((4'-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)...)
Show SMILES CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2ccccc2OCc2nnc(N)[nH]2)[nH]1
Show InChI InChI=1S/C26H32N6O/c1-4-26(2,3)15-20-16-28-23(29-20)14-11-18-9-12-19(13-10-18)21-7-5-6-8-22(21)33-17-24-30-25(27)32-31-24/h5-10,12-13,16H,4,11,14-15,17H2,1-3H3,(H,28,29)(H3,27,30,31,32)
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n/an/an/an/a 4.60n/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Agonist activity at mouse BRS3


Bioorg Med Chem Lett 20: 2912-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.028
BindingDB Entry DOI: 10.7270/Q2416X7S
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Mus musculus)
BDBM50314965
PNG
(4'-(2-(4-(cyclohexylmethyl)-1H-imidazol-2-yl)ethyl...)
Show SMILES OC(=O)c1cc(F)c(F)cc1-c1ccc(CCc2ncc(CC3CCCCC3)[nH]2)cc1
Show InChI InChI=1S/C25H26F2N2O2/c26-22-13-20(21(25(30)31)14-23(22)27)18-9-6-16(7-10-18)8-11-24-28-15-19(29-24)12-17-4-2-1-3-5-17/h6-7,9-10,13-15,17H,1-5,8,11-12H2,(H,28,29)(H,30,31)
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n/an/an/an/a 4.70n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at mouse BRS-3 expressed in HEK293 cells coexpressing AEQ over 10 mins by aequorin bioluminescence assay


Bioorg Med Chem Lett 20: 2074-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.076
BindingDB Entry DOI: 10.7270/Q2XW4JX6
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Mus musculus)
BDBM50041423
PNG
(CHEMBL3356410)
Show SMILES CC(C)COC(=O)c1cccc(CC(=O)N2CCNc3nc(ccc3[C@H]2CC(O)=O)C(F)(F)F)c1
Show InChI InChI=1S/C24H26F3N3O5/c1-14(2)13-35-23(34)16-5-3-4-15(10-16)11-20(31)30-9-8-28-22-17(18(30)12-21(32)33)6-7-19(29-22)24(25,26)27/h3-7,10,14,18H,8-9,11-13H2,1-2H3,(H,28,29)(H,32,33)/t18-/m1/s1
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n/an/an/an/a 5.40n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at mouse BRS3 expressed in CHO-K1 cells by IP-One HTRF assay


Bioorg Med Chem 23: 89-104 (2014)


Article DOI: 10.1016/j.bmc.2014.11.018
BindingDB Entry DOI: 10.7270/Q2VT1TPX
More data for this
Ligand-Target Pair
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