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Compile Data Set for Download or QSAR

Found 251 hits Enz. Inhib. hit(s) with Target = 'Bombesin receptor subtype-3'   
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 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
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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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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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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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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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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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 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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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)
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)
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
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 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)
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)
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
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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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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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)
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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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
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
Bombesin receptor subtype-3


(Mus musculus)
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 5.60n/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)
BDBM50313743
PNG
(4'-(2-(5-(cycloheptylmethyl)-1H-imidazol-2-yl)ethy...)
Show SMILES OC(=O)c1ccccc1-c1ccc(CCc2ncc(CC3CCCCCC3)[nH]2)cc1
Show InChI InChI=1S/C26H30N2O2/c29-26(30)24-10-6-5-9-23(24)21-14-11-19(12-15-21)13-16-25-27-18-22(28-25)17-20-7-3-1-2-4-8-20/h5-6,9-12,14-15,18,20H,1-4,7-8,13,16-17H2,(H,27,28)(H,29,30)
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n/an/an/an/a 5.70n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonistic activity at mouse BRS3 expressed in HEK293AEO cells by aequorin bioluminescence assay


Bioorg Med Chem Lett 20: 1913-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.154
BindingDB Entry DOI: 10.7270/Q2M045KD
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Mus musculus)
BDBM50316911
PNG
(5-((4'-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)...)
Show SMILES CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2ccccc2OCc2n[nH]c(=S)[nH]2)[nH]1
Show InChI InChI=1S/C26H31N5OS/c1-4-26(2,3)15-20-16-27-23(28-20)14-11-18-9-12-19(13-10-18)21-7-5-6-8-22(21)32-17-24-29-25(33)31-30-24/h5-10,12-13,16H,4,11,14-15,17H2,1-3H3,(H,27,28)(H2,29,30,31,33)
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n/an/an/an/a 5.80n/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)
BDBM50313748
PNG
(4'-(2-(5-(3,3-dimethylbutyl)-1H-imidazol-2-yl)ethy...)
Show SMILES CC(C)(C)CCc1cnc(CCc2ccc(cc2)-c2ccccc2C(O)=O)[nH]1
Show InChI InChI=1S/C24H28N2O2/c1-24(2,3)15-14-19-16-25-22(26-19)13-10-17-8-11-18(12-9-17)20-6-4-5-7-21(20)23(27)28/h4-9,11-12,16H,10,13-15H2,1-3H3,(H,25,26)(H,27,28)
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n/an/an/an/a 6.20n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonistic activity at mouse BRS3 expressed in HEK293AEO cells by aequorin bioluminescence assay


Bioorg Med Chem Lett 20: 1913-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.154
BindingDB Entry DOI: 10.7270/Q2M045KD
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Mus musculus)
BDBM50313749
PNG
(4'-(2-(5-neopentyl-1H-imidazol-2-yl)ethyl)biphenyl...)
Show SMILES CC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2ccccc2C(O)=O)[nH]1
Show InChI InChI=1S/C23H26N2O2/c1-23(2,3)14-18-15-24-21(25-18)13-10-16-8-11-17(12-9-16)19-6-4-5-7-20(19)22(26)27/h4-9,11-12,15H,10,13-14H2,1-3H3,(H,24,25)(H,26,27)
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n/an/an/an/a 6.30n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonistic activity at mouse BRS3 expressed in HEK293AEO cells by aequorin bioluminescence assay


Bioorg Med Chem Lett 20: 1913-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.154
BindingDB Entry DOI: 10.7270/Q2M045KD
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Mus musculus)
BDBM50314979
PNG
(4-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)et...)
Show SMILES CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2cnsc2)[nH]1
Show InChI InChI=1S/C20H25N3S/c1-4-20(2,3)11-18-13-21-19(23-18)10-7-15-5-8-16(9-6-15)17-12-22-24-14-17/h5-6,8-9,12-14H,4,7,10-11H2,1-3H3,(H,21,23)
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n/an/an/an/a 6.90n/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
Bombesin receptor subtype-3


(Mus musculus)
BDBM50313740
PNG
(4'-(2-(5-(cyclobutylmethyl)-1H-imidazol-2-yl)ethyl...)
Show SMILES OC(=O)c1ccccc1-c1ccc(CCc2ncc(CC3CCC3)[nH]2)cc1
Show InChI InChI=1S/C23H24N2O2/c26-23(27)21-7-2-1-6-20(21)18-11-8-16(9-12-18)10-13-22-24-15-19(25-22)14-17-4-3-5-17/h1-2,6-9,11-12,15,17H,3-5,10,13-14H2,(H,24,25)(H,26,27)
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n/an/an/an/a 7.10n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonistic activity at mouse BRS3 expressed in HEK293AEO cells by aequorin bioluminescence assay


Bioorg Med Chem Lett 20: 1913-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.154
BindingDB Entry DOI: 10.7270/Q2M045KD
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Mus musculus)
BDBM50313742
PNG
(4'-(2-(5-(cyclohexylmethyl)-1H-imidazol-2-yl)ethyl...)
Show SMILES OC(=O)c1ccccc1-c1ccc(CCc2ncc(CC3CCCCC3)[nH]2)cc1
Show InChI InChI=1S/C25H28N2O2/c28-25(29)23-9-5-4-8-22(23)20-13-10-18(11-14-20)12-15-24-26-17-21(27-24)16-19-6-2-1-3-7-19/h4-5,8-11,13-14,17,19H,1-3,6-7,12,15-16H2,(H,26,27)(H,28,29)
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n/an/an/an/a 7.30n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonistic activity at mouse BRS3 expressed in HEK293AEO cells by aequorin bioluminescence assay


Bioorg Med Chem Lett 20: 1913-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.154
BindingDB Entry DOI: 10.7270/Q2M045KD
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Mus musculus)
BDBM50313741
PNG
(4'-(2-(5-(cyclopentylmethyl)-1H-imidazol-2-yl)ethy...)
Show SMILES OC(=O)c1ccccc1-c1ccc(CCc2ncc(CC3CCCC3)[nH]2)cc1
Show InChI InChI=1S/C24H26N2O2/c27-24(28)22-8-4-3-7-21(22)19-12-9-17(10-13-19)11-14-23-25-16-20(26-23)15-18-5-1-2-6-18/h3-4,7-10,12-13,16,18H,1-2,5-6,11,14-15H2,(H,25,26)(H,27,28)
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n/an/an/an/a 7.90n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonistic activity at mouse BRS3 expressed in HEK293AEO cells by aequorin bioluminescence assay


Bioorg Med Chem Lett 20: 1913-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.154
BindingDB Entry DOI: 10.7270/Q2M045KD
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Mus musculus)
BDBM50313736
PNG
(4'-(2-(5-(3-fluorobenzyl)-1H-imidazol-2-yl)ethyl)b...)
Show SMILES OC(=O)c1ccccc1-c1ccc(CCc2ncc(Cc3cccc(F)c3)[nH]2)cc1
Show InChI InChI=1S/C25H21FN2O2/c26-20-5-3-4-18(14-20)15-21-16-27-24(28-21)13-10-17-8-11-19(12-9-17)22-6-1-2-7-23(22)25(29)30/h1-9,11-12,14,16H,10,13,15H2,(H,27,28)(H,29,30)
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n/an/an/an/a 7.90n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonistic activity at mouse BRS3 expressed in HEK293AEO cells by aequorin bioluminescence assay


Bioorg Med Chem Lett 20: 1913-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.154
BindingDB Entry DOI: 10.7270/Q2M045KD
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Mus musculus)
BDBM50313738
PNG
(4'-(2-(5-(2,3-difluorobenzyl)-1H-imidazol-2-yl)eth...)
Show SMILES OC(=O)c1ccccc1-c1ccc(CCc2ncc(Cc3cccc(F)c3F)[nH]2)cc1
Show InChI InChI=1S/C25H20F2N2O2/c26-22-7-3-4-18(24(22)27)14-19-15-28-23(29-19)13-10-16-8-11-17(12-9-16)20-5-1-2-6-21(20)25(30)31/h1-9,11-12,15H,10,13-14H2,(H,28,29)(H,30,31)
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n/an/an/an/a 8n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonistic activity at mouse BRS3 expressed in HEK293AEO cells by aequorin bioluminescence assay


Bioorg Med Chem Lett 20: 1913-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.154
BindingDB Entry DOI: 10.7270/Q2M045KD
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Mus musculus)
BDBM50041426
PNG
(CHEMBL3356413)
Show SMILES CC(C)(C)COC(=O)c1cccc(CC(=O)N2CCNc3nc(ccc3[C@H]2CC(O)=O)C(F)(F)F)c1
Show InChI InChI=1S/C25H28F3N3O5/c1-24(2,3)14-36-23(35)16-6-4-5-15(11-16)12-20(32)31-10-9-29-22-17(18(31)13-21(33)34)7-8-19(30-22)25(26,27)28/h4-8,11,18H,9-10,12-14H2,1-3H3,(H,29,30)(H,33,34)/t18-/m1/s1
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n/an/an/an/a 8.10n/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)
BDBM50447484
PNG
(CHEMBL3115381)
Show SMILES FC(F)(F)c1ccc2CN(CCNc2n1)C(=O)Cc1cccc(OC2CCCCC2)c1
Show InChI InChI=1S/C23H26F3N3O2/c24-23(25,26)20-10-9-17-15-29(12-11-27-22(17)28-20)21(30)14-16-5-4-8-19(13-16)31-18-6-2-1-3-7-18/h4-5,8-10,13,18H,1-3,6-7,11-12,14-15H2,(H,27,28)
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n/an/an/an/a 8.70n/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)
BDBM50447498
PNG
(CHEMBL3115398)
Show SMILES Fc1cccc(Oc2cccc(CC(=O)N3CCNc4nc(ccc4C3)C(F)(F)F)c2)c1
Show InChI InChI=1S/C23H19F4N3O2/c24-17-4-2-6-19(13-17)32-18-5-1-3-15(11-18)12-21(31)30-10-9-28-22-16(14-30)7-8-20(29-22)23(25,26)27/h1-8,11,13H,9-10,12,14H2,(H,28,29)
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n/an/an/an/a 8.70n/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)
BDBM50314981
PNG
(1-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)et...)
Show SMILES CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-n2cccn2)[nH]1
Show InChI InChI=1S/C20H26N4/c1-4-20(2,3)14-17-15-21-19(23-17)11-8-16-6-9-18(10-7-16)24-13-5-12-22-24/h5-7,9-10,12-13,15H,4,8,11,14H2,1-3H3,(H,21,23)
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n/an/an/an/a 9n/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)
BDBM50313729
PNG
(4'-(2-(5-(2-methylbenzyl)-1H-imidazol-2-yl)ethyl)b...)
Show SMILES Cc1ccccc1Cc1cnc(CCc2ccc(cc2)-c2ccccc2C(O)=O)[nH]1
Show InChI InChI=1S/C26H24N2O2/c1-18-6-2-3-7-21(18)16-22-17-27-25(28-22)15-12-19-10-13-20(14-11-19)23-8-4-5-9-24(23)26(29)30/h2-11,13-14,17H,12,15-16H2,1H3,(H,27,28)(H,29,30)
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n/an/an/an/a 9.30n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonistic activity at mouse BRS3 expressed in HEK293AEO cells by aequorin bioluminescence assay


Bioorg Med Chem Lett 20: 1913-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.154
BindingDB Entry DOI: 10.7270/Q2M045KD
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Mus musculus)
BDBM50313735
PNG
(4'-(2-(5-(2-fluorobenzyl)-1H-imidazol-2-yl)ethyl)b...)
Show SMILES OC(=O)c1ccccc1-c1ccc(CCc2ncc(Cc3ccccc3F)[nH]2)cc1
Show InChI InChI=1S/C25H21FN2O2/c26-23-8-4-1-5-19(23)15-20-16-27-24(28-20)14-11-17-9-12-18(13-10-17)21-6-2-3-7-22(21)25(29)30/h1-10,12-13,16H,11,14-15H2,(H,27,28)(H,29,30)
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n/an/an/an/a 9.5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonistic activity at mouse BRS3 expressed in HEK293AEO cells by aequorin bioluminescence assay


Bioorg Med Chem Lett 20: 1913-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.154
BindingDB Entry DOI: 10.7270/Q2M045KD
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Mus musculus)
BDBM50313751
PNG
(4'-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)ethy...)
Show SMILES CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2ccccc2C(O)=O)[nH]1
Show InChI InChI=1S/C24H28N2O2/c1-4-24(2,3)15-19-16-25-22(26-19)14-11-17-9-12-18(13-10-17)20-7-5-6-8-21(20)23(27)28/h5-10,12-13,16H,4,11,14-15H2,1-3H3,(H,25,26)(H,27,28)
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n/an/an/an/a 9.60n/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)
BDBM50313751
PNG
(4'-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)ethy...)
Show SMILES CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2ccccc2C(O)=O)[nH]1
Show InChI InChI=1S/C24H28N2O2/c1-4-24(2,3)15-19-16-25-22(26-19)14-11-17-9-12-18(13-10-17)20-7-5-6-8-21(20)23(27)28/h5-10,12-13,16H,4,11,14-15H2,1-3H3,(H,25,26)(H,27,28)
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n/an/an/an/a 9.60n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonistic activity at mouse BRS3 expressed in HEK293AEO cells by aequorin bioluminescence assay


Bioorg Med Chem Lett 20: 1913-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.154
BindingDB Entry DOI: 10.7270/Q2M045KD
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Mus musculus)
BDBM50313751
PNG
(4'-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)ethy...)
Show SMILES CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2ccccc2C(O)=O)[nH]1
Show InChI InChI=1S/C24H28N2O2/c1-4-24(2,3)15-19-16-25-22(26-19)14-11-17-9-12-18(13-10-17)20-7-5-6-8-21(20)23(27)28/h5-10,12-13,16H,4,11,14-15H2,1-3H3,(H,25,26)(H,27,28)
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n/an/an/an/a 9.60n/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)
BDBM50313747
PNG
(4'-(2-(5-isopentyl-1H-imidazol-2-yl)ethyl)biphenyl...)
Show SMILES CC(C)CCc1cnc(CCc2ccc(cc2)-c2ccccc2C(O)=O)[nH]1
Show InChI InChI=1S/C23H26N2O2/c1-16(2)7-13-19-15-24-22(25-19)14-10-17-8-11-18(12-9-17)20-5-3-4-6-21(20)23(26)27/h3-6,8-9,11-12,15-16H,7,10,13-14H2,1-2H3,(H,24,25)(H,26,27)
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n/an/an/an/a 10n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonistic activity at mouse BRS3 expressed in HEK293AEO cells by aequorin bioluminescence assay


Bioorg Med Chem Lett 20: 1913-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.154
BindingDB Entry DOI: 10.7270/Q2M045KD
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Mus musculus)
BDBM50316915
PNG
(9-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)ethyl...)
Show SMILES CCC(C)(C)Cc1cnc(CCc2ccc-3c(CNC(=O)c4ccccc-34)c2)[nH]1
Show InChI InChI=1S/C25H29N3O/c1-4-25(2,3)14-19-16-26-23(28-19)12-10-17-9-11-20-18(13-17)15-27-24(29)22-8-6-5-7-21(20)22/h5-9,11,13,16H,4,10,12,14-15H2,1-3H3,(H,26,28)(H,27,29)
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n/an/an/an/a 11n/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)
BDBM50447481
PNG
(CHEMBL3115384)
Show SMILES OCCC1N(CCNc2nc(ccc12)C(F)(F)F)C(=O)Cc1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C25H24F3N3O3/c26-25(27,28)22-10-9-20-21(11-14-32)31(13-12-29-24(20)30-22)23(33)16-17-5-4-8-19(15-17)34-18-6-2-1-3-7-18/h1-10,15,21,32H,11-14,16H2,(H,29,30)
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n/an/an/an/a 11n/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)
BDBM50313721
PNG
(4'-(2-(5-benzyl-1H-imidazol-2-yl)ethyl)biphenyl-2-...)
Show SMILES OC(=O)c1ccccc1-c1ccc(CCc2ncc(Cc3ccccc3)[nH]2)cc1
Show InChI InChI=1S/C25H22N2O2/c28-25(29)23-9-5-4-8-22(23)20-13-10-18(11-14-20)12-15-24-26-17-21(27-24)16-19-6-2-1-3-7-19/h1-11,13-14,17H,12,15-16H2,(H,26,27)(H,28,29)
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n/an/an/an/a 11n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonistic activity at mouse BRS3 expressed in HEK293AEO cells by aequorin bioluminescence assay


Bioorg Med Chem Lett 20: 1913-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.154
BindingDB Entry DOI: 10.7270/Q2M045KD
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Mus musculus)
BDBM50314978
PNG
(4-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)et...)
Show SMILES CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2csnn2)[nH]1
Show InChI InChI=1S/C19H24N4S/c1-4-19(2,3)11-16-12-20-18(21-16)10-7-14-5-8-15(9-6-14)17-13-24-23-22-17/h5-6,8-9,12-13H,4,7,10-11H2,1-3H3,(H,20,21)
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n/an/an/an/a 11n/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)
BDBM50314980
PNG
(2-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)et...)
Show SMILES CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2cnccn2)[nH]1
Show InChI InChI=1S/C21H26N4/c1-4-21(2,3)13-18-14-24-20(25-18)10-7-16-5-8-17(9-6-16)19-15-22-11-12-23-19/h5-6,8-9,11-12,14-15H,4,7,10,13H2,1-3H3,(H,24,25)
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n/an/an/an/a 11n/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)
BDBM50314973
PNG
(6-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)et...)
Show SMILES CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2cccc(=O)[nH]2)[nH]1
Show InChI InChI=1S/C22H27N3O/c1-4-22(2,3)14-18-15-23-20(24-18)13-10-16-8-11-17(12-9-16)19-6-5-7-21(26)25-19/h5-9,11-12,15H,4,10,13-14H2,1-3H3,(H,23,24)(H,25,26)
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n/an/an/an/a 11n/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)
BDBM50447501
PNG
(CHEMBL3115395)
Show SMILES FC(F)(F)c1ccc2CN(CCNc2n1)C(=O)Cc1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C23H20F3N3O2/c24-23(25,26)20-10-9-17-15-29(12-11-27-22(17)28-20)21(30)14-16-5-4-8-19(13-16)31-18-6-2-1-3-7-18/h1-10,13H,11-12,14-15H2,(H,27,28)
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n/an/an/an/a 12n/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
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