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Compile Data Set for Download or QSAR

Found 140 hits of ic50 for UniProtKB: P32247   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Bombesin receptor subtype-3


(Homo sapiens (Human))		BDBM50381918
PNG
(CHEMBL2023113)
Show SMILES NC(=O)C1(CCC1)c1cccc2Nc3nc(ccc3CN(c12)S(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(F)(F)F
Show InChI InChI=1S/C25H20F6N4O4S/c26-24(27,28)19-10-5-14-13-35(40(37,38)16-8-6-15(7-9-16)39-25(29,30)31)20-17(23(22(32)36)11-2-12-23)3-1-4-18(20)33-21(14)34-19/h1,3-10H,2,11-13H2,(H2,32,36)(H,33,34)
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n/an/a 0.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-dY-peptide from human BRS3 expressed in NFAT-CHO cells after 2 hrs by liquid scintillation counting

Bioorg Med Chem 20: 2845-9 (2012)


Article DOI: 10.1016/j.bmc.2012.03.029
BindingDB Entry DOI: 10.7270/Q2F190R8
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Homo sapiens (Human))		BDBM50381917
PNG
(CHEMBL2023112)
Show SMILES CC(C)(C(N)=O)c1cccc2Nc3nc(ccc3CN(c12)S(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(F)(F)F
Show InChI InChI=1S/C24H20F6N4O4S/c1-22(2,21(31)35)16-4-3-5-17-19(16)34(12-13-6-11-18(23(25,26)27)33-20(13)32-17)39(36,37)15-9-7-14(8-10-15)38-24(28,29)30/h3-11H,12H2,1-2H3,(H2,31,35)(H,32,33)
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n/an/a 0.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-dY-peptide from human BRS3 expressed in NFAT-CHO cells after 2 hrs by liquid scintillation counting

Bioorg Med Chem 20: 2845-9 (2012)


Article DOI: 10.1016/j.bmc.2012.03.029
BindingDB Entry DOI: 10.7270/Q2F190R8
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Homo sapiens (Human))		BDBM50381916
PNG
(CHEMBL2023111)
Show SMILES CC(C)(O)c1nc(no1)C1(CCC1)c1cccc2Nc3nc(ccc3CN(c12)S(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(F)(F)F
Show InChI InChI=1S/C29H25F6N5O5S/c1-26(2,41)25-38-24(39-45-25)27(13-4-14-27)19-5-3-6-20-22(19)40(15-16-7-12-21(28(30,31)32)37-23(16)36-20)46(42,43)18-10-8-17(9-11-18)44-29(33,34)35/h3,5-12,41H,4,13-15H2,1-2H3,(H,36,37)
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n/an/a 0.600n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-dY-peptide from human BRS3 expressed in NFAT-CHO cells after 2 hrs by liquid scintillation counting

Bioorg Med Chem 20: 2845-9 (2012)


Article DOI: 10.1016/j.bmc.2012.03.029
BindingDB Entry DOI: 10.7270/Q2F190R8
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Homo sapiens (Human))		BDBM50400247
PNG
(CHEMBL2179918)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1Cc2ccc(nc2Nc2ccc3ncccc3c12)C(F)(F)F
Show InChI InChI=1S/C26H23F3N4O2S/c1-25(2,3)17-7-9-18(10-8-17)36(34,35)33-15-16-6-13-22(26(27,28)29)32-24(16)31-21-12-11-20-19(23(21)33)5-4-14-30-20/h4-14H,15H2,1-3H3,(H,31,32)
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n/an/a 0.700n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-[D-Tyr6,beta-Ala11,Phe13,Nle14]-Bombesin(6-14) from human BRS3 expressed in CHO cells expressing NFAT after 2 hrs by liquid sc...

ACS Med Chem Lett 2: 933-937 (2011)


Article DOI: 10.1021/ml200207w
BindingDB Entry DOI: 10.7270/Q25Q4X77
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Homo sapiens (Human))		BDBM50394612
PNG
(CHEMBL2164581)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1Cc2ccc(nc2Nc2cccc(-c3noc(CO)n3)c12)C(F)(F)F
Show InChI InChI=1S/C26H24F3N5O4S/c1-25(2,3)16-8-10-17(11-9-16)39(36,37)34-13-15-7-12-20(26(27,28)29)31-23(15)30-19-6-4-5-18(22(19)34)24-32-21(14-35)38-33-24/h4-12,35H,13-14H2,1-3H3,(H,30,31)
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n/an/a 0.700n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-dY-peptide from human BRS-3 expressed in NFAT-CHO cells after 2 hrs by by liquid scintillation counting

ACS Med Chem Lett 3: 252-256 (2012)


Article DOI: 10.1021/ml200304j
BindingDB Entry DOI: 10.7270/Q2PG1ST9
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Homo sapiens (Human))		BDBM50394616
PNG
(CHEMBL2164577)
Show SMILES Cn1cc(cn1)-c1cccc2Nc3nc(ccc3CN(c12)S(=O)(=O)c1ccc(cc1)C(C)(C)C)C(F)(F)F
Show InChI InChI=1S/C27H26F3N5O2S/c1-26(2,3)19-9-11-20(12-10-19)38(36,37)35-16-17-8-13-23(27(28,29)30)33-25(17)32-22-7-5-6-21(24(22)35)18-14-31-34(4)15-18/h5-15H,16H2,1-4H3,(H,32,33)
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n/an/a 0.760n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-dY-peptide from human BRS-3 expressed in NFAT-CHO cells after 2 hrs by by liquid scintillation counting

ACS Med Chem Lett 3: 252-256 (2012)


Article DOI: 10.1021/ml200304j
BindingDB Entry DOI: 10.7270/Q2PG1ST9
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Homo sapiens (Human))		BDBM50400254
PNG
(CHEMBL2179911)
Show SMILES Cc1cccc2Nc3nc(ccc3CN(c12)S(=O)(=O)c1ccc(cc1)C(C)(C)C)C(F)(F)F
Show InChI InChI=1S/C24H24F3N3O2S/c1-15-6-5-7-19-21(15)30(14-16-8-13-20(24(25,26)27)29-22(16)28-19)33(31,32)18-11-9-17(10-12-18)23(2,3)4/h5-13H,14H2,1-4H3,(H,28,29)
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n/an/a 0.900n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-[D-Tyr6,beta-Ala11,Phe13,Nle14]-Bombesin(6-14) from human BRS3 expressed in CHO cells expressing NFAT after 2 hrs by liquid sc...

ACS Med Chem Lett 2: 933-937 (2011)


Article DOI: 10.1021/ml200207w
BindingDB Entry DOI: 10.7270/Q25Q4X77
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Homo sapiens (Human))		BDBM50394609
PNG
(CHEMBL2164223)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1Cc2ccc(nc2Nc2cccc(-c3noc(n3)C(C)(C)O)c12)C(F)(F)F
Show InChI InChI=1S/C28H28F3N5O4S/c1-26(2,3)17-10-12-18(13-11-17)41(38,39)36-15-16-9-14-21(28(29,30)31)33-23(16)32-20-8-6-7-19(22(20)36)24-34-25(40-35-24)27(4,5)37/h6-14,37H,15H2,1-5H3,(H,32,33)
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n/an/a 0.900n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-dY-peptide from human BRS-3 expressed in NFAT-CHO cells after 2 hrs by by liquid scintillation counting

ACS Med Chem Lett 3: 252-256 (2012)


Article DOI: 10.1021/ml200304j
BindingDB Entry DOI: 10.7270/Q2PG1ST9
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Homo sapiens (Human))		BDBM50158702
PNG
(CHEMBL413893 | Universal ligand)
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)Cc1ccc(O)cc1)C(C)C)C(N)=O
Show InChI InChI=1S/C57H76N14O11/c1-6-7-16-42(49(60)74)66-55(80)44(25-34-13-9-8-10-14-34)69-56(81)46(27-37-29-61-30-63-37)68-50(75)32(4)65-57(82)48(31(2)3)71-51(76)33(5)64-54(79)45(26-36-28-62-41-17-12-11-15-39(36)41)70-53(78)43(22-23-47(59)73)67-52(77)40(58)24-35-18-20-38(72)21-19-35/h8-15,17-21,28-33,40,42-46,48,62,72H,6-7,16,22-27,58H2,1-5H3,(H2,59,73)(H2,60,74)(H,61,63)(H,64,79)(H,65,82)(H,66,80)(H,67,77)(H,68,75)(H,69,81)(H,70,78)(H,71,76)/t32-,33-,40-,42-,43-,44-,45-,46-,48-/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



National Center for Scientific Research Demokritos

Curated by ChEMBL


Assay Description
Inhibition of bombesin subtype 3 receptor expressed in human lung carcinoids

J Med Chem 48: 100-10 (2005)


Article DOI: 10.1021/jm049437y
BindingDB Entry DOI: 10.7270/Q2DF6QQ6
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Homo sapiens (Human))		BDBM50394613
PNG
(CHEMBL2164580)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1Cc2ccc(nc2Nc2cccc(-c3ncon3)c12)C(F)(F)F
Show InChI InChI=1S/C25H22F3N5O3S/c1-24(2,3)16-8-10-17(11-9-16)37(34,35)33-13-15-7-12-20(25(26,27)28)31-22(15)30-19-6-4-5-18(21(19)33)23-29-14-36-32-23/h4-12,14H,13H2,1-3H3,(H,30,31)
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TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-dY-peptide from human BRS-3 expressed in NFAT-CHO cells after 2 hrs by by liquid scintillation counting

ACS Med Chem Lett 3: 252-256 (2012)


Article DOI: 10.1021/ml200304j
BindingDB Entry DOI: 10.7270/Q2PG1ST9
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Homo sapiens (Human))		BDBM50394611
PNG
(CHEMBL2164582)
Show SMILES C[C@H](O)c1nc(no1)-c1cccc2Nc3nc(ccc3CN(c12)S(=O)(=O)c1ccc(cc1)C(C)(C)C)C(F)(F)F |r|
Show InChI InChI=1S/C27H26F3N5O4S/c1-15(36)25-33-24(34-39-25)19-6-5-7-20-22(19)35(14-16-8-13-21(27(28,29)30)32-23(16)31-20)40(37,38)18-11-9-17(10-12-18)26(2,3)4/h5-13,15,36H,14H2,1-4H3,(H,31,32)/t15-/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-dY-peptide from human BRS-3 expressed in NFAT-CHO cells after 2 hrs by by liquid scintillation counting

ACS Med Chem Lett 3: 252-256 (2012)


Article DOI: 10.1021/ml200304j
BindingDB Entry DOI: 10.7270/Q2PG1ST9
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Homo sapiens (Human))		BDBM50400257
PNG
(CHEMBL2179908)
Show SMILES Cc1ccc2Nc3nc(Cl)ccc3CN(c2c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C24H26ClN3O2S/c1-15-6-12-20-22(16(15)2)28(14-17-7-13-21(25)27-23(17)26-20)31(29,30)19-10-8-18(9-11-19)24(3,4)5/h6-13H,14H2,1-5H3,(H,26,27)
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n/an/a 1.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-[D-Tyr6,beta-Ala11,Phe13,Nle14]-Bombesin(6-14) from human BRS3 expressed in CHO cells expressing NFAT after 2 hrs by liquid sc...

ACS Med Chem Lett 2: 933-937 (2011)


Article DOI: 10.1021/ml200207w
BindingDB Entry DOI: 10.7270/Q25Q4X77
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Homo sapiens (Human))		BDBM50394615
PNG
(CHEMBL2164578)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1Cc2ccc(nc2Nc2cccc(C3CCNCC3)c12)C(F)(F)F
Show InChI InChI=1S/C28H31F3N4O2S/c1-27(2,3)20-8-10-21(11-9-20)38(36,37)35-17-19-7-12-24(28(29,30)31)34-26(19)33-23-6-4-5-22(25(23)35)18-13-15-32-16-14-18/h4-12,18,32H,13-17H2,1-3H3,(H,33,34)
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n/an/a 1.40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-dY-peptide from human BRS-3 expressed in NFAT-CHO cells after 2 hrs by by liquid scintillation counting

ACS Med Chem Lett 3: 252-256 (2012)


Article DOI: 10.1021/ml200304j
BindingDB Entry DOI: 10.7270/Q2PG1ST9
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Homo sapiens (Human))		BDBM50381915
PNG
(CHEMBL2023110)
Show SMILES CC(C)(O)c1nc(no1)C(C)(C)c1cccc2Nc3nc(ccc3CN(c12)S(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(F)(F)F
Show InChI InChI=1S/C28H25F6N5O5S/c1-25(2,23-37-24(44-38-23)26(3,4)40)18-6-5-7-19-21(18)39(14-15-8-13-20(27(29,30)31)36-22(15)35-19)45(41,42)17-11-9-16(10-12-17)43-28(32,33)34/h5-13,40H,14H2,1-4H3,(H,35,36)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-dY-peptide from human BRS3 expressed in NFAT-CHO cells after 2 hrs by liquid scintillation counting

Bioorg Med Chem 20: 2845-9 (2012)


Article DOI: 10.1016/j.bmc.2012.03.029
BindingDB Entry DOI: 10.7270/Q2F190R8
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Homo sapiens (Human))		BDBM50400246
PNG
(CHEMBL2179473)
Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)N1Cc2ccc(nc2Nc2ccc(C)c(C)c12)C(F)(F)F
Show InChI InChI=1S/C24H24F3N3O2S/c1-14(2)17-6-9-19(10-7-17)33(31,32)30-13-18-8-12-21(24(25,26)27)29-23(18)28-20-11-5-15(3)16(4)22(20)30/h5-12,14H,13H2,1-4H3,(H,28,29)
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n/an/a 1.60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-[D-Tyr6,beta-Ala11,Phe13,Nle14]-Bombesin(6-14) from human BRS3 expressed in CHO cells expressing NFAT after 2 hrs by liquid sc...

ACS Med Chem Lett 2: 933-937 (2011)


Article DOI: 10.1021/ml200207w
BindingDB Entry DOI: 10.7270/Q25Q4X77
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Homo sapiens (Human))		BDBM50394608
PNG
(CHEMBL2164224)
Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)N1Cc2ccc(nc2Nc2cccc(-c3noc(n3)C(C)(C)O)c12)C(F)(F)F
Show InChI InChI=1S/C27H26F3N5O4S/c1-15(2)16-8-11-18(12-9-16)40(37,38)35-14-17-10-13-21(27(28,29)30)32-23(17)31-20-7-5-6-19(22(20)35)24-33-25(39-34-24)26(3,4)36/h5-13,15,36H,14H2,1-4H3,(H,31,32)
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n/an/a 1.70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-dY-peptide from human BRS-3 expressed in NFAT-CHO cells after 2 hrs by by liquid scintillation counting

ACS Med Chem Lett 3: 252-256 (2012)


Article DOI: 10.1021/ml200304j
BindingDB Entry DOI: 10.7270/Q2PG1ST9
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Homo sapiens (Human))		BDBM50394617
PNG
(CHEMBL2164576)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1Cc2ccc(nc2Nc2cccc(-c3cccnc3)c12)C(F)(F)F
Show InChI InChI=1S/C28H25F3N4O2S/c1-27(2,3)20-10-12-21(13-11-20)38(36,37)35-17-19-9-14-24(28(29,30)31)34-26(19)33-23-8-4-7-22(25(23)35)18-6-5-15-32-16-18/h4-16H,17H2,1-3H3,(H,33,34)
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TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-dY-peptide from human BRS-3 expressed in NFAT-CHO cells after 2 hrs by by liquid scintillation counting

ACS Med Chem Lett 3: 252-256 (2012)


Article DOI: 10.1021/ml200304j
BindingDB Entry DOI: 10.7270/Q2PG1ST9
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Homo sapiens (Human))		BDBM50394610
PNG
(CHEMBL2164222)
Show SMILES C[C@@H](O)c1nc(no1)-c1cccc2Nc3nc(ccc3CN(c12)S(=O)(=O)c1ccc(cc1)C(C)(C)C)C(F)(F)F |r|
Show InChI InChI=1S/C27H26F3N5O4S/c1-15(36)25-33-24(34-39-25)19-6-5-7-20-22(19)35(14-16-8-13-21(27(28,29)30)32-23(16)31-20)40(37,38)18-11-9-17(10-12-18)26(2,3)4/h5-13,15,36H,14H2,1-4H3,(H,31,32)/t15-/m1/s1
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n/an/a 1.90n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-dY-peptide from human BRS-3 expressed in NFAT-CHO cells after 2 hrs by by liquid scintillation counting

ACS Med Chem Lett 3: 252-256 (2012)


Article DOI: 10.1021/ml200304j
BindingDB Entry DOI: 10.7270/Q2PG1ST9
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Homo sapiens (Human))		BDBM50381919
PNG
(CHEMBL2023114)
Show SMILES CNC(=O)C1(CCC1)c1cccc2Nc3nc(ccc3CN(c12)S(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(F)(F)F
Show InChI InChI=1S/C26H22F6N4O4S/c1-33-23(37)24(12-3-13-24)18-4-2-5-19-21(18)36(14-15-6-11-20(25(27,28)29)35-22(15)34-19)41(38,39)17-9-7-16(8-10-17)40-26(30,31)32/h2,4-11H,3,12-14H2,1H3,(H,33,37)(H,34,35)
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n/an/a 2.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-dY-peptide from human BRS3 expressed in NFAT-CHO cells after 2 hrs by liquid scintillation counting

Bioorg Med Chem 20: 2845-9 (2012)


Article DOI: 10.1016/j.bmc.2012.03.029
BindingDB Entry DOI: 10.7270/Q2F190R8
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Homo sapiens (Human))		BDBM50400249
PNG
(CHEMBL2179916)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1Cc2ccc(nc2Nc2cccc(O)c12)C(F)(F)F
Show InChI InChI=1S/C23H22F3N3O3S/c1-22(2,3)15-8-10-16(11-9-15)33(31,32)29-13-14-7-12-19(23(24,25)26)28-21(14)27-17-5-4-6-18(30)20(17)29/h4-12,30H,13H2,1-3H3,(H,27,28)
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n/an/a 2.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-[D-Tyr6,beta-Ala11,Phe13,Nle14]-Bombesin(6-14) from human BRS3 expressed in CHO cells expressing NFAT after 2 hrs by liquid sc...

ACS Med Chem Lett 2: 933-937 (2011)


Article DOI: 10.1021/ml200207w
BindingDB Entry DOI: 10.7270/Q25Q4X77
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Homo sapiens (Human))		BDBM428851
PNG
(US10532048, Example 236)
Show SMILES C[C@@H](NC(=O)[C@H]1[C@@H](N([C@H]2CCCC[C@@H]2NS(C)(=O)=O)C(=O)c2ccccc12)c1ccc(Cl)cc1Cl)c1ccccc1 |r|
Show InChI InChI=1S/C31H33Cl2N3O4S/c1-19(20-10-4-3-5-11-20)34-30(37)28-22-12-6-7-13-23(22)31(38)36(29(28)24-17-16-21(32)18-25(24)33)27-15-9-8-14-26(27)35-41(2,39)40/h3-7,10-13,16-19,26-29,35H,8-9,14-15H2,1-2H3,(H,34,37)/t19-,26+,27+,28-,29+/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Seldar Pharma Inc.

US Patent


Assay Description
A BB2 receptor binding test was carried out using a membrane sample prepared from a human prostate cancer-derived PC-3 cell. The PC-3 cell was cultur...

US Patent US10532048 (2020)


BindingDB Entry DOI: 10.7270/Q22R3V1R
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Homo sapiens (Human))		BDBM50400253
PNG
(CHEMBL2179912)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1Cc2ccc(nc2Nc2cccc(Cl)c12)C(F)(F)F
Show InChI InChI=1S/C23H21ClF3N3O2S/c1-22(2,3)15-8-10-16(11-9-15)33(31,32)30-13-14-7-12-19(23(25,26)27)29-21(14)28-18-6-4-5-17(24)20(18)30/h4-12H,13H2,1-3H3,(H,28,29)
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n/an/a 3.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-[D-Tyr6,beta-Ala11,Phe13,Nle14]-Bombesin(6-14) from human BRS3 expressed in CHO cells expressing NFAT after 2 hrs by liquid sc...

ACS Med Chem Lett 2: 933-937 (2011)


Article DOI: 10.1021/ml200207w
BindingDB Entry DOI: 10.7270/Q25Q4X77
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Homo sapiens (Human))		BDBM50400243
PNG
(CHEMBL2179476)
Show SMILES Cc1ccc2Nc3nc(ccc3CN(c2c1C)S(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(F)(F)F
Show InChI InChI=1S/C22H17F6N3O3S/c1-12-3-9-17-19(13(12)2)31(11-14-4-10-18(21(23,24)25)30-20(14)29-17)35(32,33)16-7-5-15(6-8-16)34-22(26,27)28/h3-10H,11H2,1-2H3,(H,29,30)
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n/an/a 3.30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-[D-Tyr6,beta-Ala11,Phe13,Nle14]-Bombesin(6-14) from human BRS3 expressed in CHO cells expressing NFAT after 2 hrs by liquid sc...

ACS Med Chem Lett 2: 933-937 (2011)


Article DOI: 10.1021/ml200207w
BindingDB Entry DOI: 10.7270/Q25Q4X77
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Homo sapiens (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/a 3.60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-dY-peptide from human BRS-3 expressed in NFAT-CHO cells after 2 hrs by by liquid scintillation counting

ACS Med Chem Lett 3: 252-256 (2012)


Article DOI: 10.1021/ml200304j
BindingDB Entry DOI: 10.7270/Q2PG1ST9
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Homo sapiens (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/a 3.60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-dY-peptide from human BRS3 expressed in NFAT-CHO cells after 2 hrs by liquid scintillation counting

Bioorg Med Chem 20: 2845-9 (2012)


Article DOI: 10.1016/j.bmc.2012.03.029
BindingDB Entry DOI: 10.7270/Q2F190R8
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Homo sapiens (Human))		BDBM50400258
PNG
(CHEMBL2179907)
Show SMILES Cc1ccc2Nc3nc(ccc3CN(c2c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C)C#N
Show InChI InChI=1S/C25H26N4O2S/c1-16-6-13-22-23(17(16)2)29(15-18-7-10-20(14-26)27-24(18)28-22)32(30,31)21-11-8-19(9-12-21)25(3,4)5/h6-13H,15H2,1-5H3,(H,27,28)
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n/an/a 4.40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-[D-Tyr6,beta-Ala11,Phe13,Nle14]-Bombesin(6-14) from human BRS3 expressed in CHO cells expressing NFAT after 2 hrs by liquid sc...

ACS Med Chem Lett 2: 933-937 (2011)


Article DOI: 10.1021/ml200207w
BindingDB Entry DOI: 10.7270/Q25Q4X77
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Homo sapiens (Human))		BDBM428855
PNG
(US10532048, Example 631)
Show SMILES CS(=O)(=O)N[C@H]1CCCC[C@@H]1N1[C@H]([C@H](C(=O)[N-]OCc2cccc(OCC([O-])=O)c2)c2ccccc2C1=O)c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C32H33Cl2N3O8S/c1-46(42,43)36-26-11-4-5-12-27(26)37-30(24-14-13-20(33)16-25(24)34)29(22-9-2-3-10-23(22)32(37)41)31(40)35-45-17-19-7-6-8-21(15-19)44-18-28(38)39/h2-3,6-10,13-16,26-27,29-30,36H,4-5,11-12,17-18H2,1H3,(H2,35,38,39,40)/p-2/t26-,27-,29+,30-/m0/s1
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n/an/a 4.5n/an/an/an/an/an/a



Seldar Pharma Inc.

US Patent


Assay Description
A BB2 receptor binding test was carried out using a membrane sample prepared from a human prostate cancer-derived PC-3 cell. The PC-3 cell was cultur...

US Patent US10532048 (2020)


BindingDB Entry DOI: 10.7270/Q22R3V1R
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Homo sapiens (Human))		BDBM428852
PNG
(US10532048, Example 542)
Show SMILES CS(=O)(=O)N[C@H]1CCCC[C@@H]1N1[C@H]([C@H](C(=O)[N-]OCc2cc(cs2)C([O-])=O)c2ccccc2C1=O)c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C29H29Cl2N3O7S2/c1-43(39,40)33-23-8-4-5-9-24(23)34-26(21-11-10-17(30)13-22(21)31)25(19-6-2-3-7-20(19)28(34)36)27(35)32-41-14-18-12-16(15-42-18)29(37)38/h2-3,6-7,10-13,15,23-26,33H,4-5,8-9,14H2,1H3,(H2,32,35,37,38)/p-2/t23-,24-,25+,26-/m0/s1
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n/an/a 4.70n/an/an/an/an/an/a



Seldar Pharma Inc.

US Patent


Assay Description
A BB2 receptor binding test was carried out using a membrane sample prepared from a human prostate cancer-derived PC-3 cell. The PC-3 cell was cultur...

US Patent US10532048 (2020)


BindingDB Entry DOI: 10.7270/Q22R3V1R
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Homo sapiens (Human))		BDBM428853
PNG
(US10532048, Example 560)
Show SMILES CS(=O)(=O)N[C@H]1CCCC[C@@H]1N1[C@H]([C@H](C(=O)NOCc2cccc(c2)C(O)=O)c2ccccc2C1=O)c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C31H31Cl2N3O7S/c1-44(41,42)35-25-11-4-5-12-26(25)36-28(23-14-13-20(32)16-24(23)33)27(21-9-2-3-10-22(21)30(36)38)29(37)34-43-17-18-7-6-8-19(15-18)31(39)40/h2-3,6-10,13-16,25-28,35H,4-5,11-12,17H2,1H3,(H,34,37)(H,39,40)/t25-,26-,27+,28-/m0/s1
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n/an/a 4.80n/an/an/an/an/an/a



Seldar Pharma Inc.

US Patent


Assay Description
A BB2 receptor binding test was carried out using a membrane sample prepared from a human prostate cancer-derived PC-3 cell. The PC-3 cell was cultur...

US Patent US10532048 (2020)


BindingDB Entry DOI: 10.7270/Q22R3V1R
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Homo sapiens (Human))		BDBM50400250
PNG
(CHEMBL2179915)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1Cc2ccc(nc2Nc2ccc(c(F)c12)C(C)(C)O)C(F)(F)F
Show InChI InChI=1S/C26H27F4N3O3S/c1-24(2,3)16-7-9-17(10-8-16)37(35,36)33-14-15-6-13-20(26(28,29)30)32-23(15)31-19-12-11-18(25(4,5)34)21(27)22(19)33/h6-13,34H,14H2,1-5H3,(H,31,32)
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n/an/a 5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-[D-Tyr6,beta-Ala11,Phe13,Nle14]-Bombesin(6-14) from human BRS3 expressed in CHO cells expressing NFAT after 2 hrs by liquid sc...

ACS Med Chem Lett 2: 933-937 (2011)


Article DOI: 10.1021/ml200207w
BindingDB Entry DOI: 10.7270/Q25Q4X77
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Homo sapiens (Human))		BDBM50336887
PNG
(1-[4-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-[4-(...)
Show SMILES CC(C)(C)Cc1cnc(CC(C)(O)c2ccc(cc2)-n2cccn2)[nH]1
Show InChI InChI=1S/C20H26N4O/c1-19(2,3)12-16-14-21-18(23-16)13-20(4,25)15-6-8-17(9-7-15)24-11-5-10-22-24/h5-11,14,25H,12-13H2,1-4H3,(H,21,23)
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n/an/a 5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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

ACS Med Chem Lett 2: 43-47 (2011)


Article DOI: 10.1021/ml100196d
BindingDB Entry DOI: 10.7270/Q26D5T81
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Homo sapiens (Human))		BDBM50316905
PNG
((R)-1-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-y...)
Show SMILES CCC(C)(C)Cc1cnc(CCc2ccc(cc2)N2CCCC[C@@H]2C(O)=O)[nH]1 |r|
Show InChI InChI=1S/C23H33N3O2/c1-4-23(2,3)15-18-16-24-21(25-18)13-10-17-8-11-19(12-9-17)26-14-6-5-7-20(26)22(27)28/h8-9,11-12,16,20H,4-7,10,13-15H2,1-3H3,(H,24,25)(H,27,28)/t20-/m1/s1
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n/an/a 5.30n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Binding affinity to human 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


(Homo sapiens (Human))		BDBM50400248
PNG
(CHEMBL2179917)
Show SMILES Cc1ccc2Nc3nc(ccc3CN(c2n1)S(=O)(=O)c1ccc(cc1)C(C)(C)C)C(F)(F)F
Show InChI InChI=1S/C23H23F3N4O2S/c1-14-5-11-18-21(27-14)30(13-15-6-12-19(23(24,25)26)29-20(15)28-18)33(31,32)17-9-7-16(8-10-17)22(2,3)4/h5-12H,13H2,1-4H3,(H,28,29)
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n/an/a 5.30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-[D-Tyr6,beta-Ala11,Phe13,Nle14]-Bombesin(6-14) from human BRS3 expressed in CHO cells expressing NFAT after 2 hrs by liquid sc...

ACS Med Chem Lett 2: 933-937 (2011)


Article DOI: 10.1021/ml200207w
BindingDB Entry DOI: 10.7270/Q25Q4X77
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Homo sapiens (Human))		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/a 5.30n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Binding affinity to human 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


(Homo sapiens (Human))		BDBM50400251
PNG
(CHEMBL2179914)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1Cc2ccc(nc2Nc2ccccc12)C(F)(F)F
Show InChI InChI=1S/C23H22F3N3O2S/c1-22(2,3)16-9-11-17(12-10-16)32(30,31)29-14-15-8-13-20(23(24,25)26)28-21(15)27-18-6-4-5-7-19(18)29/h4-13H,14H2,1-3H3,(H,27,28)
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n/an/a 5.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-[D-Tyr6,beta-Ala11,Phe13,Nle14]-Bombesin(6-14) from human BRS3 expressed in CHO cells expressing NFAT after 2 hrs by liquid sc...

ACS Med Chem Lett 2: 933-937 (2011)


Article DOI: 10.1021/ml200207w
BindingDB Entry DOI: 10.7270/Q25Q4X77
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Homo sapiens (Human))		BDBM50400241
PNG
(CHEMBL2179478)
Show SMILES Cc1ccc2Nc3nc(ccc3CN(c2c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C#N)C(F)(F)F
Show InChI InChI=1S/C25H23F3N4O2S/c1-15-5-11-20-22(16(15)2)32(13-17-6-12-21(25(26,27)28)31-23(17)30-20)35(33,34)19-9-7-18(8-10-19)24(3,4)14-29/h5-12H,13H2,1-4H3,(H,30,31)
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n/an/a 5.70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-[D-Tyr6,beta-Ala11,Phe13,Nle14]-Bombesin(6-14) from human BRS3 expressed in CHO cells expressing NFAT after 2 hrs by liquid sc...

ACS Med Chem Lett 2: 933-937 (2011)


Article DOI: 10.1021/ml200207w
BindingDB Entry DOI: 10.7270/Q25Q4X77
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Homo sapiens (Human))		BDBM428854
PNG
(US10532048, Example 589)
Show SMILES CS(=O)(=O)N[C@H]1CCCC[C@@H]1N1[C@H]([C@H](C(=O)NOCc2ccccn2)c2ccccc2C1=O)c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C29H30Cl2N4O5S/c1-41(38,39)34-24-11-4-5-12-25(24)35-27(22-14-13-18(30)16-23(22)31)26(20-9-2-3-10-21(20)29(35)37)28(36)33-40-17-19-8-6-7-15-32-19/h2-3,6-10,13-16,24-27,34H,4-5,11-12,17H2,1H3,(H,33,36)/t24-,25-,26+,27-/m0/s1
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US Patent
n/an/a 5.70n/an/an/an/an/an/a



Seldar Pharma Inc.

US Patent


Assay Description
A BB2 receptor binding test was carried out using a membrane sample prepared from a human prostate cancer-derived PC-3 cell. The PC-3 cell was cultur...

US Patent US10532048 (2020)


BindingDB Entry DOI: 10.7270/Q22R3V1R
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Homo sapiens (Human))		BDBM50400242
PNG
(CHEMBL2179477)
Show SMILES Cc1ccc2Nc3nc(ccc3CN(c2c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)F)C(F)(F)F
Show InChI InChI=1S/C24H23F4N3O2S/c1-14-5-11-19-21(15(14)2)31(13-16-6-12-20(24(26,27)28)30-22(16)29-19)34(32,33)18-9-7-17(8-10-18)23(3,4)25/h5-12H,13H2,1-4H3,(H,29,30)
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n/an/a 5.70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-[D-Tyr6,beta-Ala11,Phe13,Nle14]-Bombesin(6-14) from human BRS3 expressed in CHO cells expressing NFAT after 2 hrs by liquid sc...

ACS Med Chem Lett 2: 933-937 (2011)


Article DOI: 10.1021/ml200207w
BindingDB Entry DOI: 10.7270/Q25Q4X77
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Homo sapiens (Human))		BDBM50400252
PNG
(CHEMBL2179913)
Show SMILES Cc1ccc2Nc3nc(ccc3CN(c2c1)S(=O)(=O)c1ccc(cc1)C(C)(C)C)C(F)(F)F
Show InChI InChI=1S/C24H24F3N3O2S/c1-15-5-11-19-20(13-15)30(14-16-6-12-21(24(25,26)27)29-22(16)28-19)33(31,32)18-9-7-17(8-10-18)23(2,3)4/h5-13H,14H2,1-4H3,(H,28,29)
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n/an/a 5.80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-[D-Tyr6,beta-Ala11,Phe13,Nle14]-Bombesin(6-14) from human BRS3 expressed in CHO cells expressing NFAT after 2 hrs by liquid sc...

ACS Med Chem Lett 2: 933-937 (2011)


Article DOI: 10.1021/ml200207w
BindingDB Entry DOI: 10.7270/Q25Q4X77
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Homo sapiens (Human))		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/a 6.10n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Binding affinity to human 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


(Homo sapiens (Human))		BDBM50316906
PNG
((R)-1-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-y...)
Show SMILES CCC(C)(C)Cc1cnc(CCc2ccc(cc2)N2CCCC[C@@H]2c2nnn[nH]2)[nH]1 |r|
Show InChI InChI=1S/C23H33N7/c1-4-23(2,3)15-18-16-24-21(25-18)13-10-17-8-11-19(12-9-17)30-14-6-5-7-20(30)22-26-28-29-27-22/h8-9,11-12,16,20H,4-7,10,13-15H2,1-3H3,(H,24,25)(H,26,27,28,29)/t20-/m1/s1
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n/an/a 6.20n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Binding affinity to human 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


(Homo sapiens (Human))		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/a 6.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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

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


(Homo sapiens (Human))		BDBM428859
PNG
(US10532048, Example 712)
Show SMILES CS(=O)(=O)N[C@H]1CCCC[C@@H]1N1[C@H]([C@H](C(=O)NOCc2ccc(cc2)C(F)(F)C(O)=O)c2ccccc2C1=O)c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C32H31Cl2F2N3O7S/c1-47(44,45)38-25-8-4-5-9-26(25)39-28(23-15-14-20(33)16-24(23)34)27(21-6-2-3-7-22(21)30(39)41)29(40)37-46-17-18-10-12-19(13-11-18)32(35,36)31(42)43/h2-3,6-7,10-16,25-28,38H,4-5,8-9,17H2,1H3,(H,37,40)(H,42,43)/t25-,26-,27+,28-/m0/s1
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n/an/a 6.70n/an/an/an/an/an/a



Seldar Pharma Inc.

US Patent


Assay Description
A BB2 receptor binding test was carried out using a membrane sample prepared from a human prostate cancer-derived PC-3 cell. The PC-3 cell was cultur...

US Patent US10532048 (2020)


BindingDB Entry DOI: 10.7270/Q22R3V1R
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Homo sapiens (Human))		BDBM428856
PNG
(US10532048, Example 700)
Show SMILES CS(=O)(=O)N[C@H]1CCCC[C@@H]1N1[C@H]([C@H](C(=O)NCCc2cccc(c2)C(=O)NS(C)(=O)=O)c2ccccc2C1=O)c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C33H36Cl2N4O7S2/c1-47(43,44)37-27-12-5-6-13-28(27)39-30(25-15-14-22(34)19-26(25)35)29(23-10-3-4-11-24(23)33(39)42)32(41)36-17-16-20-8-7-9-21(18-20)31(40)38-48(2,45)46/h3-4,7-11,14-15,18-19,27-30,37H,5-6,12-13,16-17H2,1-2H3,(H,36,41)(H,38,40)/t27-,28-,29+,30-/m0/s1
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n/an/a 6.70n/an/an/an/an/an/a



Seldar Pharma Inc.

US Patent


Assay Description
A BB2 receptor binding test was carried out using a membrane sample prepared from a human prostate cancer-derived PC-3 cell. The PC-3 cell was cultur...

US Patent US10532048 (2020)


BindingDB Entry DOI: 10.7270/Q22R3V1R
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Homo sapiens (Human))		BDBM50400245
PNG
(CHEMBL2179474)
Show SMILES Cc1ccc2Nc3nc(ccc3CN(c2c1C)S(=O)(=O)c1ccc(cc1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C22H17F6N3O2S/c1-12-3-9-17-19(13(12)2)31(11-14-4-10-18(22(26,27)28)30-20(14)29-17)34(32,33)16-7-5-15(6-8-16)21(23,24)25/h3-10H,11H2,1-2H3,(H,29,30)
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n/an/a 6.80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-[D-Tyr6,beta-Ala11,Phe13,Nle14]-Bombesin(6-14) from human BRS3 expressed in CHO cells expressing NFAT after 2 hrs by liquid sc...

ACS Med Chem Lett 2: 933-937 (2011)


Article DOI: 10.1021/ml200207w
BindingDB Entry DOI: 10.7270/Q25Q4X77
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Homo sapiens (Human))		BDBM428860
PNG
(US10532048, Example 856)
Show SMILES CS(=O)(=O)N[C@H]1CCCC[C@@H]1N1[C@H]([C@H](C(=O)NOCc2ccc(CC(O)=O)cc2)c2ccccc2C1=O)c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C32H33Cl2N3O7S/c1-45(42,43)36-26-8-4-5-9-27(26)37-30(24-15-14-21(33)17-25(24)34)29(22-6-2-3-7-23(22)32(37)41)31(40)35-44-18-20-12-10-19(11-13-20)16-28(38)39/h2-3,6-7,10-15,17,26-27,29-30,36H,4-5,8-9,16,18H2,1H3,(H,35,40)(H,38,39)/t26-,27-,29+,30-/m0/s1
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n/an/a 6.80n/an/an/an/an/an/a



Seldar Pharma Inc.

US Patent


Assay Description
A BB2 receptor binding test was carried out using a membrane sample prepared from a human prostate cancer-derived PC-3 cell. The PC-3 cell was cultur...

US Patent US10532048 (2020)


BindingDB Entry DOI: 10.7270/Q22R3V1R
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Homo sapiens (Human))		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/a 7.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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

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


(Homo sapiens (Human))		BDBM428857
PNG
(US10532048, Example 701)
Show SMILES CS(=O)(=O)N[C@H]1CCCC[C@@H]1N1[C@H]([C@H](C(=O)NCCc2ccc(CC(O)=O)cc2)c2ccccc2C1=O)c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C33H35Cl2N3O6S/c1-45(43,44)37-27-8-4-5-9-28(27)38-31(25-15-14-22(34)19-26(25)35)30(23-6-2-3-7-24(23)33(38)42)32(41)36-17-16-20-10-12-21(13-11-20)18-29(39)40/h2-3,6-7,10-15,19,27-28,30-31,37H,4-5,8-9,16-18H2,1H3,(H,36,41)(H,39,40)/t27-,28-,30+,31-/m0/s1
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n/an/a 7.40n/an/an/an/an/an/a



Seldar Pharma Inc.

US Patent


Assay Description
A BB2 receptor binding test was carried out using a membrane sample prepared from a human prostate cancer-derived PC-3 cell. The PC-3 cell was cultur...

US Patent US10532048 (2020)


BindingDB Entry DOI: 10.7270/Q22R3V1R
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Homo sapiens (Human))		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/a 7.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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

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


(Homo sapiens (Human))		BDBM50394607
PNG
(CHEMBL2164225)
Show SMILES CC(C)(O)c1nc(no1)-c1cccc2Nc3nc(ccc3CN(c12)S(=O)(=O)c1ccc(cc1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C25H19F6N5O4S/c1-23(2,37)22-34-21(35-40-22)16-4-3-5-17-19(16)36(12-13-6-11-18(25(29,30)31)33-20(13)32-17)41(38,39)15-9-7-14(8-10-15)24(26,27)28/h3-11,37H,12H2,1-2H3,(H,32,33)
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n/an/a 8.30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-dY-peptide from human BRS-3 expressed in NFAT-CHO cells after 2 hrs by by liquid scintillation counting

ACS Med Chem Lett 3: 252-256 (2012)


Article DOI: 10.1021/ml200304j
BindingDB Entry DOI: 10.7270/Q2PG1ST9
More data for this
Ligand-Target Pair
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