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Compile Data Set for Download or QSAR

Found 251 hits Enz. Inhib. hit(s) with Target = 'Bombesin receptor subtype-3' AND taxid = 10090   
Target
(Institution)
LigandTarget
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)
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


Citation and Details
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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n/an/a 5.40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Citation and Details
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/a 6.90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]D-Tyr6-betaAla11-Phe13-Nle14-bombesin from mouse BRS-3 expressed in NFAT-CHO cells after 2 hrs by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Mus musculus)
BDBM50340963
PNG
(4-((1S,2S,4R)-bicyclo[2.2.1]heptan-2-ylamino)-N-(t...)
Show SMILES CC(C)(C)NC(=O)NS(=O)(=O)c1cnccc1N[C@H]1C[C@@H]2CC[C@H]1C2
Show InChI InChI=1S/C17H26N4O3S/c1-17(2,3)20-16(22)21-25(23,24)15-10-18-7-6-13(15)19-14-9-11-4-5-12(14)8-11/h6-7,10-12,14H,4-5,8-9H2,1-3H3,(H,18,19)(H2,20,21,22)/t11-,12+,14+/m1/s1
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n/an/an/an/a 110n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at mouse BRS3 by functional assay


Citation and Details
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Mus musculus)
BDBM50340964
PNG
((+/-)-4-((exo)-bicyclo[2.2.1]heptan-2-ylamino)-N-(...)
Show SMILES CCC(C)(C)NC(=O)NS(=O)(=O)c1cnccc1N[C@@H]1C[C@H]2CC[C@@H]1C2
Show InChI InChI=1S/C18H28N4O3S/c1-4-18(2,3)21-17(23)22-26(24,25)16-11-19-8-7-14(16)20-15-10-12-5-6-13(15)9-12/h7-8,11-13,15H,4-6,9-10H2,1-3H3,(H,19,20)(H2,21,22,23)/t12-,13+,15+/m0/s1
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n/an/an/an/a 13n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at mouse BRS3 by functional assay


Citation and Details
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Mus musculus)
BDBM50340965
PNG
((+/-)-4-((exo)-bicyclo[2.2.1]heptan-2-ylamino)-N-(...)
Show SMILES CC(C)(C)CC(C)(C)NC(=O)NS(=O)(=O)c1cnccc1N[C@@H]1C[C@H]2CC[C@@H]1C2
Show InChI InChI=1S/C21H34N4O3S/c1-20(2,3)13-21(4,5)24-19(26)25-29(27,28)18-12-22-9-8-16(18)23-17-11-14-6-7-15(17)10-14/h8-9,12,14-15,17H,6-7,10-11,13H2,1-5H3,(H,22,23)(H2,24,25,26)/t14-,15+,17+/m0/s1
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n/an/an/an/a 100n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at mouse BRS3 by functional assay


Citation and Details
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Mus musculus)
BDBM50340966
PNG
(CHEMBL1762252 | NA)
Show SMILES O=C(NC12CC3CC(CC(C3)C1)C2)NS(=O)(=O)c1cnccc1N[C@@H]1C[C@H]2CC[C@@H]1C2
Show InChI InChI=1S/C23H32N4O3S/c28-22(26-23-10-15-5-16(11-23)7-17(6-15)12-23)27-31(29,30)21-13-24-4-3-19(21)25-20-9-14-1-2-18(20)8-14/h3-4,13-18,20H,1-2,5-12H2,(H,24,25)(H2,26,27,28)/t14-,15?,16?,17?,18+,20+,23?/m0/s1
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n/an/an/an/a 39n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at mouse BRS3 by functional assay


Citation and Details
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Mus musculus)
BDBM50340967
PNG
(CHEMBL1762253 | N-(tert-butylcarbamoyl)-4-(cyclohe...)
Show SMILES CC(C)(C)NC(=O)NS(=O)(=O)c1cnccc1NC1CCCCC1
Show InChI InChI=1S/C16H26N4O3S/c1-16(2,3)19-15(21)20-24(22,23)14-11-17-10-9-13(14)18-12-7-5-4-6-8-12/h9-12H,4-8H2,1-3H3,(H,17,18)(H2,19,20,21)
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n/an/an/an/a 260n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at mouse BRS3 by functional assay


Citation and Details
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Mus musculus)
BDBM50340971
PNG
(CHEMBL1762254 | N-(tert-butylcarbamoyl)-4-((1R,2R,...)
Show SMILES CC(C)(C)NC(=O)NS(=O)(=O)c1cnccc1N[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C
Show InChI InChI=1S/C20H32N4O3S/c1-18(2,3)23-17(25)24-28(26,27)15-12-21-10-8-14(15)22-16-11-13-7-9-20(16,6)19(13,4)5/h8,10,12-13,16H,7,9,11H2,1-6H3,(H,21,22)(H2,23,24,25)/t13-,16-,20+/m1/s1
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n/an/an/an/a 90n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at mouse BRS3 by functional assay


Citation and Details
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Mus musculus)
BDBM50340972
PNG
(CHEMBL1762255 | N-(tert-butylcarbamoyl)-4-((1R,2S,...)
Show SMILES CC(C)(C)NC(=O)NS(=O)(=O)c1cnccc1N[C@H]1C[C@H]2CC[C@]1(C)C2(C)C
Show InChI InChI=1S/C20H32N4O3S/c1-18(2,3)23-17(25)24-28(26,27)15-12-21-10-8-14(15)22-16-11-13-7-9-20(16,6)19(13,4)5/h8,10,12-13,16H,7,9,11H2,1-6H3,(H,21,22)(H2,23,24,25)/t13-,16+,20+/m1/s1
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n/an/an/an/a 33n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at mouse BRS3 by functional assay


Citation and Details
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Mus musculus)
BDBM50340973
PNG
((R)-N-(tert-butylcarbamoyl)-4-(quinuclidin-3-ylami...)
Show SMILES CC(C)(C)NC(=O)NS(=O)(=O)c1cnccc1N[C@H]1CN2CCC1CC2
Show InChI InChI=1S/C17H27N5O3S/c1-17(2,3)20-16(23)21-26(24,25)15-10-18-7-4-13(15)19-14-11-22-8-5-12(14)6-9-22/h4,7,10,12,14H,5-6,8-9,11H2,1-3H3,(H,18,19)(H2,20,21,23)/t14-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at mouse BRS3 by functional assay


Citation and Details
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Mus musculus)
BDBM50340974
PNG
(4-(benzylamino)-N-(tert-butylcarbamoyl)pyridine-3-...)
Show SMILES CC(C)(C)NC(=O)NS(=O)(=O)c1cnccc1NCc1ccccc1
Show InChI InChI=1S/C17H22N4O3S/c1-17(2,3)20-16(22)21-25(23,24)15-12-18-10-9-14(15)19-11-13-7-5-4-6-8-13/h4-10,12H,11H2,1-3H3,(H,18,19)(H2,20,21,22)
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n/an/an/an/a 6.90E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at mouse BRS3 by functional assay


Citation and Details
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Mus musculus)
BDBM50340975
PNG
(CHEMBL1762258 | N-(tert-butylcarbamoyl)-4-(2-pheny...)
Show SMILES CC(C)(C)NC(=O)NS(=O)(=O)c1cnccc1NC(C)(C)c1ccccc1
Show InChI InChI=1S/C19H26N4O3S/c1-18(2,3)22-17(24)23-27(25,26)16-13-20-12-11-15(16)21-19(4,5)14-9-7-6-8-10-14/h6-13H,1-5H3,(H,20,21)(H2,22,23,24)
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n/an/an/an/a 4.30E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at mouse BRS3 by functional assay


Citation and Details
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Mus musculus)
BDBM50340976
PNG
((+/-)-N-(tert-butylcarbamoyl)-4-(2,3-dihydro-1H-in...)
Show SMILES CC(C)(C)NC(=O)NS(=O)(=O)c1cnccc1NC1CCc2ccccc12
Show InChI InChI=1S/C19H24N4O3S/c1-19(2,3)22-18(24)23-27(25,26)17-12-20-11-10-16(17)21-15-9-8-13-6-4-5-7-14(13)15/h4-7,10-12,15H,8-9H2,1-3H3,(H,20,21)(H2,22,23,24)
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n/an/an/an/a 1.30E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at mouse BRS3 by functional assay


Citation and Details
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Mus musculus)
BDBM50340977
PNG
(CHEMBL1762260 | N-(tert-butylcarbamoyl)-4-(pyrroli...)
Show SMILES CC(C)(C)NC(=O)NS(=O)(=O)c1cnccc1NN1CCCC1
Show InChI InChI=1S/C14H23N5O3S/c1-14(2,3)16-13(20)18-23(21,22)12-10-15-7-6-11(12)17-19-8-4-5-9-19/h6-7,10H,4-5,8-9H2,1-3H3,(H,15,17)(H2,16,18,20)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at mouse BRS3 by functional assay


Citation and Details
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Mus musculus)
BDBM50340978
PNG
((+/-)-4-((exo)-bicyclo[2.2.1]heptan-2-yloxy)-N-(te...)
Show SMILES CC(C)(C)NC(=O)NS(=O)(=O)c1cnccc1O[C@@H]1C[C@H]2CC[C@@H]1C2
Show InChI InChI=1S/C17H25N3O4S/c1-17(2,3)19-16(21)20-25(22,23)15-10-18-7-6-13(15)24-14-9-11-4-5-12(14)8-11/h6-7,10-12,14H,4-5,8-9H2,1-3H3,(H2,19,20,21)/t11-,12+,14+/m0/s1
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n/an/an/an/a 320n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at mouse BRS3 by functional assay


Citation and Details
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Mus musculus)
BDBM50340979
PNG
(4-((1S,2R,4R)-bicyclo[2.2.1]heptan-2-yloxy)-N-(ter...)
Show SMILES CC(C)(C)NC(=O)NS(=O)(=O)c1cnccc1O[C@@H]1C[C@@H]2CC[C@H]1C2
Show InChI InChI=1S/C17H25N3O4S/c1-17(2,3)19-16(21)20-25(22,23)15-10-18-7-6-13(15)24-14-9-11-4-5-12(14)8-11/h6-7,10-12,14H,4-5,8-9H2,1-3H3,(H2,19,20,21)/t11-,12+,14-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at mouse BRS3 by functional assay


Citation and Details
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Mus musculus)
BDBM50340980
PNG
((+/-)-2-((exo)-bicyclo[2.2.1]heptan-2-ylamino)-N-(...)
Show SMILES CC(C)(C)NC(=O)NS(=O)(=O)c1ccccc1N[C@@H]1C[C@H]2CC[C@@H]1C2
Show InChI InChI=1S/C18H27N3O3S/c1-18(2,3)20-17(22)21-25(23,24)16-7-5-4-6-14(16)19-15-11-12-8-9-13(15)10-12/h4-7,12-13,15,19H,8-11H2,1-3H3,(H2,20,21,22)/t12-,13+,15+/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at mouse BRS3 by functional assay


Citation and Details
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Mus musculus)
BDBM50340981
PNG
((+/-)-N-(4-((exo)-bicyclo[2.2.1]heptan-2-ylamino)p...)
Show SMILES CC(C)(C)CC(=O)NS(=O)(=O)c1cnccc1N[C@@H]1C[C@H]2CC[C@@H]1C2
Show InChI InChI=1S/C18H27N3O3S/c1-18(2,3)10-17(22)21-25(23,24)16-11-19-7-6-14(16)20-15-9-12-4-5-13(15)8-12/h6-7,11-13,15H,4-5,8-10H2,1-3H3,(H,19,20)(H,21,22)/t12-,13+,15+/m0/s1
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n/an/an/an/a 4.90E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at mouse BRS3 by functional assay


Citation and Details
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Mus musculus)
BDBM50340982
PNG
((+/-)-tert-butyl 4-(exo)-bicyclo[2.2.1]heptan-2-yl...)
Show SMILES CC(C)(C)OC(=O)NS(=O)(=O)c1cnccc1N[C@@H]1C[C@H]2CC[C@@H]1C2
Show InChI InChI=1S/C17H25N3O4S/c1-17(2,3)24-16(21)20-25(22,23)15-10-18-7-6-13(15)19-14-9-11-4-5-12(14)8-11/h6-7,10-12,14H,4-5,8-9H2,1-3H3,(H,18,19)(H,20,21)/t11-,12+,14+/m0/s1
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n/an/an/an/a 590n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at mouse BRS3 by functional assay


Citation and Details
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Mus musculus)
BDBM50340983
PNG
((+/-)-4-((exo)-bicyclo[2.2.1]heptan-2-ylamino)-N-(...)
Show SMILES CN(C(=O)NS(=O)(=O)c1cnccc1N[C@@H]1C[C@H]2CC[C@@H]1C2)C(C)(C)C
Show InChI InChI=1S/C18H28N4O3S/c1-18(2,3)22(4)17(23)21-26(24,25)16-11-19-8-7-14(16)20-15-10-12-5-6-13(15)9-12/h7-8,11-13,15H,5-6,9-10H2,1-4H3,(H,19,20)(H,21,23)/t12-,13+,15+/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at mouse BRS3 by functional assay


Citation and Details
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Mus musculus)
BDBM50340984
PNG
((+/-)-4-((exo)-bicyclo[2.2.1]heptan-2-ylamino)-N-(...)
Show SMILES CC(C)(C)NC(=N)NS(=O)(=O)c1cnccc1N[C@@H]1C[C@H]2CC[C@@H]1C2
Show InChI InChI=1S/C17H27N5O2S/c1-17(2,3)21-16(18)22-25(23,24)15-10-19-7-6-13(15)20-14-9-11-4-5-12(14)8-11/h6-7,10-12,14H,4-5,8-9H2,1-3H3,(H,19,20)(H3,18,21,22)/t11-,12+,14+/m0/s1
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n/an/an/an/a 7.00E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at mouse BRS3 by functional assay


Citation and Details
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Mus musculus)
BDBM50340985
PNG
((+/-)-4-((exo)-bicyclo[2.2.1]heptan-2-ylamino)-N-(...)
Show SMILES CN(C(=O)NC(C)(C)C)S(=O)(=O)c1cnccc1N[C@@H]1C[C@H]2CC[C@@H]1C2
Show InChI InChI=1S/C18H28N4O3S/c1-18(2,3)21-17(23)22(4)26(24,25)16-11-19-8-7-14(16)20-15-10-12-5-6-13(15)9-12/h7-8,11-13,15H,5-6,9-10H2,1-4H3,(H,19,20)(H,21,23)/t12-,13+,15+/m0/s1
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n/an/an/an/a 6.50E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at mouse BRS3 by functional assay


Citation and Details
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Mus musculus)
BDBM50340986
PNG
((+/-)-4-((exo)-bicyclo[2.2.1]heptan-2-ylamino)-N-(...)
Show SMILES CC(C)(C)c1cccc(NS(=O)(=O)c2cnccc2N[C@@H]2C[C@H]3CC[C@@H]2C3)c1
Show InChI InChI=1S/C22H29N3O2S/c1-22(2,3)17-5-4-6-18(13-17)25-28(26,27)21-14-23-10-9-19(21)24-20-12-15-7-8-16(20)11-15/h4-6,9-10,13-16,20,25H,7-8,11-12H2,1-3H3,(H,23,24)/t15-,16+,20+/m0/s1
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n/an/an/an/a 160n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at mouse BRS3 by functional assay


Citation and Details
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Mus musculus)
BDBM50340987
PNG
((+/-)-4-((exo)-bicyclo[2.2.1]heptan-2-ylamino)-N-(...)
Show SMILES CC(C)(C)c1csc(NS(=O)(=O)c2cnccc2N[C@@H]2C[C@H]3CC[C@@H]2C3)n1
Show InChI InChI=1S/C19H26N4O2S2/c1-19(2,3)17-11-26-18(22-17)23-27(24,25)16-10-20-7-6-14(16)21-15-9-12-4-5-13(15)8-12/h6-7,10-13,15H,4-5,8-9H2,1-3H3,(H,20,21)(H,22,23)/t12-,13+,15+/m0/s1
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n/an/an/an/a 200n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at mouse BRS3 by functional assay


Citation and Details
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Mus musculus)
BDBM50340988
PNG
((+/-)-4-((exo)-bicyclo[2.2.1]heptan-2-ylamino)-N-(...)
Show SMILES CC(C)(C)c1cc(NS(=O)(=O)c2cnccc2N[C@@H]2C[C@H]3CC[C@@H]2C3)[nH]n1
Show InChI InChI=1S/C19H27N5O2S/c1-19(2,3)17-10-18(23-22-17)24-27(25,26)16-11-20-7-6-14(16)21-15-9-12-4-5-13(15)8-12/h6-7,10-13,15H,4-5,8-9H2,1-3H3,(H,20,21)(H2,22,23,24)/t12-,13+,15+/m0/s1
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n/an/an/an/a 270n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at mouse BRS3 by functional assay


Citation and Details
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Mus musculus)
BDBM50340989
PNG
((+/-)-4-((exo)-bicyclo[2.2.1]heptan-2-ylamino)-N-(...)
Show SMILES CC(C)c1nnc(NS(=O)(=O)c2cnccc2N[C@@H]2C[C@H]3CC[C@@H]2C3)[nH]1
Show InChI InChI=1S/C17H24N6O2S/c1-10(2)16-20-17(22-21-16)23-26(24,25)15-9-18-6-5-13(15)19-14-8-11-3-4-12(14)7-11/h5-6,9-12,14H,3-4,7-8H2,1-2H3,(H,18,19)(H2,20,21,22,23)/t11-,12+,14+/m0/s1
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n/an/an/an/a 410n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at mouse BRS3 by functional assay


Citation and Details
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Mus musculus)
BDBM50340990
PNG
((+/-)-4-((exo)-bicyclo[2.2.1]heptan-2-ylamino)-N-(...)
Show SMILES O=S(=O)(Nc1nnc([nH]1)C1CCC1)c1cnccc1N[C@@H]1C[C@H]2CC[C@@H]1C2
Show InChI InChI=1S/C18H24N6O2S/c25-27(26,24-18-21-17(22-23-18)12-2-1-3-12)16-10-19-7-6-14(16)20-15-9-11-4-5-13(15)8-11/h6-7,10-13,15H,1-5,8-9H2,(H,19,20)(H2,21,22,23,24)/t11-,13+,15+/m0/s1
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n/an/an/an/a 170n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at mouse BRS3 by functional assay


Citation and Details
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Mus musculus)
BDBM50340990
PNG
((+/-)-4-((exo)-bicyclo[2.2.1]heptan-2-ylamino)-N-(...)
Show SMILES O=S(=O)(Nc1nnc([nH]1)C1CCC1)c1cnccc1N[C@@H]1C[C@H]2CC[C@@H]1C2
Show InChI InChI=1S/C18H24N6O2S/c25-27(26,24-18-21-17(22-23-18)12-2-1-3-12)16-10-19-7-6-14(16)20-15-9-11-4-5-13(15)8-11/h6-7,10-13,15H,1-5,8-9H2,(H,19,20)(H2,21,22,23,24)/t11-,13+,15+/m0/s1
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n/an/an/an/a 51n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at mouse BRS3 by functional assay


Citation and Details
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Mus musculus)
BDBM50340990
PNG
((+/-)-4-((exo)-bicyclo[2.2.1]heptan-2-ylamino)-N-(...)
Show SMILES O=S(=O)(Nc1nnc([nH]1)C1CCC1)c1cnccc1N[C@@H]1C[C@H]2CC[C@@H]1C2
Show InChI InChI=1S/C18H24N6O2S/c25-27(26,24-18-21-17(22-23-18)12-2-1-3-12)16-10-19-7-6-14(16)20-15-9-11-4-5-13(15)8-11/h6-7,10-13,15H,1-5,8-9H2,(H,19,20)(H2,21,22,23,24)/t11-,13+,15+/m0/s1
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n/an/an/an/a 190n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at mouse BRS3 by functional assay


Citation and Details
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Mus musculus)
BDBM50340969
PNG
((+/-)-4-((exo)-bicyclo[2.2.1]heptan-2-ylamino)-N-(...)
Show SMILES CC(C)NC(=O)NS(=O)(=O)c1cnccc1N[C@@H]1C[C@H]2CC[C@@H]1C2
Show InChI InChI=1S/C16H24N4O3S/c1-10(2)18-16(21)20-24(22,23)15-9-17-6-5-13(15)19-14-8-11-3-4-12(14)7-11/h5-6,9-12,14H,3-4,7-8H2,1-2H3,(H,17,19)(H2,18,20,21)/t11-,12+,14+/m0/s1
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n/an/an/an/a 86n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at mouse BRS3 by functional assay


Citation and Details
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Mus musculus)
BDBM50340970
PNG
((+/-)-4-((endo)-bicyclo[2.2.1]heptan-2-ylamino)-N-...)
Show SMILES CC(C)NC(=O)NS(=O)(=O)c1cnccc1N[C@H]1C[C@H]2CC[C@@H]1C2
Show InChI InChI=1S/C16H24N4O3S/c1-10(2)18-16(21)20-24(22,23)15-9-17-6-5-13(15)19-14-8-11-3-4-12(14)7-11/h5-6,9-12,14H,3-4,7-8H2,1-2H3,(H,17,19)(H2,18,20,21)/t11-,12+,14-/m0/s1
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n/an/an/an/a 98n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at mouse BRS3 by functional assay


Citation and Details
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Mus musculus)
BDBM50340962
PNG
((+/-)-4-((exo)-bicyclo[2.2.1]heptan-2-ylamino)-N-(...)
Show SMILES CC(C)(C)NC(=O)NS(=O)(=O)c1cnccc1N[C@@H]1C[C@H]2CC[C@@H]1C2
Show InChI InChI=1S/C17H26N4O3S/c1-17(2,3)20-16(22)21-25(23,24)15-10-18-7-6-13(15)19-14-9-11-4-5-12(14)8-11/h6-7,10-12,14H,4-5,8-9H2,1-3H3,(H,18,19)(H2,20,21,22)/t11-,12+,14+/m0/s1
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n/an/an/an/a 28n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at mouse BRS3 by functional assay


Citation and Details
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Mus musculus)
BDBM50340961
PNG
((+/-)-4-((endo)-bicyclo[2.2.1]heptan-2-ylamino)-N-...)
Show SMILES CC(C)(C)NC(=O)NS(=O)(=O)c1cnccc1N[C@H]1C[C@H]2CC[C@@H]1C2
Show InChI InChI=1S/C17H26N4O3S/c1-17(2,3)20-16(22)21-25(23,24)15-10-18-7-6-13(15)19-14-9-11-4-5-12(14)8-11/h6-7,10-12,14H,4-5,8-9H2,1-3H3,(H,18,19)(H2,20,21,22)/t11-,12+,14-/m0/s1
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n/an/an/an/a 49n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at mouse BRS3 by functional assay


Citation and Details
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Mus musculus)
BDBM50340962
PNG
((+/-)-4-((exo)-bicyclo[2.2.1]heptan-2-ylamino)-N-(...)
Show SMILES CC(C)(C)NC(=O)NS(=O)(=O)c1cnccc1N[C@@H]1C[C@H]2CC[C@@H]1C2
Show InChI InChI=1S/C17H26N4O3S/c1-17(2,3)20-16(22)21-25(23,24)15-10-18-7-6-13(15)19-14-9-11-4-5-12(14)8-11/h6-7,10-12,14H,4-5,8-9H2,1-3H3,(H,18,19)(H2,20,21,22)/t11-,12+,14+/m0/s1
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n/an/an/an/a 21n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at mouse BRS3 by functional assay


Citation and Details
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Mus musculus)
BDBM50313710
PNG
(4'-(2-(5-butyl-1H-imidazol-2-yl)-5-hydroxypentyl)b...)
Show SMILES CCCCc1cnc([nH]1)C(CCCO)Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C25H30N2O3/c1-2-3-8-21-17-26-24(27-21)20(7-6-15-28)16-18-11-13-19(14-12-18)22-9-4-5-10-23(22)25(29)30/h4-5,9-14,17,20,28H,2-3,6-8,15-16H2,1H3,(H,26,27)(H,29,30)
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n/an/an/an/a 238n/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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Mus musculus)
BDBM50313750
PNG
(4'-(2-(5-tert-butyl-1H-imidazol-2-yl)ethyl)bipheny...)
Show SMILES CC(C)(C)c1cnc(CCc2ccc(cc2)-c2ccccc2C(O)=O)[nH]1
Show InChI InChI=1S/C22H24N2O2/c1-22(2,3)19-14-23-20(24-19)13-10-15-8-11-16(12-9-15)17-6-4-5-7-18(17)21(25)26/h4-9,11-12,14H,10,13H2,1-3H3,(H,23,24)(H,25,26)
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n/an/an/an/a 2.75E+3n/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


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Mus musculus)
BDBM50313752
PNG
(4'-(2-(5-(2-ethyl-2-methylbutyl)-1H-imidazol-2-yl)...)
Show SMILES CCC(C)(CC)Cc1cnc(CCc2ccc(cc2)-c2ccccc2C(O)=O)[nH]1
Show InChI InChI=1S/C25H30N2O2/c1-4-25(3,5-2)16-20-17-26-23(27-20)15-12-18-10-13-19(14-11-18)21-8-6-7-9-22(21)24(28)29/h6-11,13-14,17H,4-5,12,15-16H2,1-3H3,(H,26,27)(H,28,29)
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n/an/an/an/a 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


Citation and Details
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


Citation and Details
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 94n/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 relative to D-Tyr6-betaAla1...


Citation and Details
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 97n/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 relative to D-Tyr6-betaAla1...


Citation and Details
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Mus musculus)
BDBM50314971
PNG
(4-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)et...)
Show SMILES CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2ccncc2)[nH]1
Show InChI InChI=1S/C22H27N3/c1-4-22(2,3)15-20-16-24-21(25-20)10-7-17-5-8-18(9-6-17)19-11-13-23-14-12-19/h5-6,8-9,11-14,16H,4,7,10,15H2,1-3H3,(H,24,25)
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n/an/an/an/a 15n/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


Citation and Details
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Mus musculus)
BDBM50314971
PNG
(4-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)et...)
Show SMILES CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2ccncc2)[nH]1
Show InChI InChI=1S/C22H27N3/c1-4-22(2,3)15-20-16-24-21(25-20)10-7-17-5-8-18(9-6-17)19-11-13-23-14-12-19/h5-6,8-9,11-14,16H,4,7,10,15H2,1-3H3,(H,24,25)
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n/an/an/an/a 103n/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 relative to D-Tyr6-betaAla1...


Citation and Details
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Mus musculus)
BDBM50314972
PNG
(2-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)et...)
Show SMILES CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2cccc(C)n2)[nH]1
Show InChI InChI=1S/C23H29N3/c1-5-23(3,4)15-20-16-24-22(26-20)14-11-18-9-12-19(13-10-18)21-8-6-7-17(2)25-21/h6-10,12-13,16H,5,11,14-15H2,1-4H3,(H,24,26)
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n/an/an/an/a 19n/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


Citation and Details
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Mus musculus)
BDBM50314972
PNG
(2-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)et...)
Show SMILES CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2cccc(C)n2)[nH]1
Show InChI InChI=1S/C23H29N3/c1-5-23(3,4)15-20-16-24-22(26-20)14-11-18-9-12-19(13-10-18)21-8-6-7-17(2)25-21/h6-10,12-13,16H,5,11,14-15H2,1-4H3,(H,24,26)
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n/an/an/an/a 106n/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 relative to D-Tyr6-betaAla1...


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
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