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PubMed code 25497965

Compile data set for download or QSAR
Found 70 hits of Enzyme Inhibition Constant Data   
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
BRS3


(HUMAN)
BDBM50447504
PNG
(CHEMBL3115392)
Show SMILES CC(C)(C)c1ccc(CC(=O)N2Cc3ccc(nc3Nc3ccccc23)C(F)(F)F)cc1
Show InChI InChI=1S/C25H24F3N3O/c1-24(2,3)18-11-8-16(9-12-18)14-22(32)31-15-17-10-13-21(25(26,27)28)30-23(17)29-19-6-4-5-7-20(19)31/h4-13H,14-15H2,1-3H3,(H,29,30)
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n/an/an/an/a 48n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


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


Bioorg Med Chem 23: 89-104 (2014)


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


(HUMAN)
BDBM50041421
PNG
(CHEMBL3356408)
Show SMILES OC(=O)C[C@H]1N(CCNc2nc(ccc12)C(F)(F)F)C(=O)Cc1cccc(c1)C(O)=O
Show InChI InChI=1S/C20H18F3N3O5/c21-20(22,23)15-5-4-13-14(10-17(28)29)26(7-6-24-18(13)25-15)16(27)9-11-2-1-3-12(8-11)19(30)31/h1-5,8,14H,6-7,9-10H2,(H,24,25)(H,28,29)(H,30,31)/t14-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


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


Bioorg Med Chem 23: 89-104 (2014)


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


(HUMAN)
BDBM50041422
PNG
(CHEMBL3356409)
Show SMILES CC(C)OC(=O)c1cccc(CC(=O)N2CCNc3nc(ccc3[C@H]2CC(O)=O)C(F)(F)F)c1
Show InChI InChI=1S/C23H24F3N3O5/c1-13(2)34-22(33)15-5-3-4-14(10-15)11-19(30)29-9-8-27-21-16(17(29)12-20(31)32)6-7-18(28-21)23(24,25)26/h3-7,10,13,17H,8-9,11-12H2,1-2H3,(H,27,28)(H,31,32)/t17-/m1/s1
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n/an/an/an/a 40n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


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


Bioorg Med Chem 23: 89-104 (2014)


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


(Mus musculus)
BDBM50447489
PNG
(CHEMBL3115376)
Show SMILES CC(C)Oc1cccc(CC(=O)N2CCNc3nc(ccc3C2)C(F)(F)F)c1
Show InChI InChI=1S/C20H22F3N3O2/c1-13(2)28-16-5-3-4-14(10-16)11-18(27)26-9-8-24-19-15(12-26)6-7-17(25-19)20(21,22)23/h3-7,10,13H,8-9,11-12H2,1-2H3,(H,24,25)
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n/an/an/an/a 569n/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)
BDBM50447476
PNG
(CHEMBL3115389)
Show SMILES CC(C)COc1cccc(CC(=O)N2CCNc3nc(ccc3[C@H]2CC(O)=O)C(F)(F)F)c1
Show InChI InChI=1S/C23H26F3N3O4/c1-14(2)13-33-16-5-3-4-15(10-16)11-20(30)29-9-8-27-22-17(18(29)12-21(31)32)6-7-19(28-22)23(24,25)26/h3-7,10,14,18H,8-9,11-13H2,1-2H3,(H,27,28)(H,31,32)/t18-/m1/s1
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n/an/an/an/a 62n/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)
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 BRS3 expressed in CHO-K1 cells by IP-One HTRF assay


Bioorg Med Chem 23: 89-104 (2014)


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


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



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at mouse 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)
BDBM50447480
PNG
(CHEMBL3115385)
Show SMILES OC(=O)CC1N(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)
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n/an/an/an/a 15n/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)
BDBM50447478
PNG
(CHEMBL3115387)
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-/m0/s1
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n/an/an/an/a 3.12E+3n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


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


Bioorg Med Chem 23: 89-104 (2014)


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


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



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


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


Bioorg Med Chem 23: 89-104 (2014)


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


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



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


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


Bioorg Med Chem 23: 89-104 (2014)


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


(Mus musculus)
BDBM50041418
PNG
(CHEMBL3356406)
Show SMILES OC(=O)C[C@H]1N(CCNc2nc(ccc12)C(F)(F)F)C(=O)Cc1cccc(OC(=O)CC2CC2)c1
Show InChI InChI=1S/C24H24F3N3O5/c25-24(26,27)19-7-6-17-18(13-21(32)33)30(9-8-28-23(17)29-19)20(31)11-15-2-1-3-16(10-15)35-22(34)12-14-4-5-14/h1-3,6-7,10,14,18H,4-5,8-9,11-13H2,(H,28,29)(H,32,33)/t18-/m1/s1
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n/an/an/an/a 81n/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)
BDBM50041425
PNG
(CHEMBL3356412)
Show SMILES OC(=O)C[C@H]1N(CCNc2nc(ccc12)C(F)(F)F)C(=O)Cc1cccc(c1)C(=O)OCC1CC1
Show InChI InChI=1S/C24H24F3N3O5/c25-24(26,27)19-7-6-17-18(12-21(32)33)30(9-8-28-22(17)29-19)20(31)11-15-2-1-3-16(10-15)23(34)35-13-14-4-5-14/h1-3,6-7,10,14,18H,4-5,8-9,11-13H2,(H,28,29)(H,32,33)/t18-/m1/s1
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n/an/an/an/a 3.70n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


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


Bioorg Med Chem 23: 89-104 (2014)


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


(HUMAN)
BDBM50447503
PNG
(CHEMBL3115393)
Show SMILES FC(F)(F)c1ccc2CN(C(=O)Cc3ccc(Oc4ccccc4)cc3)c3ccccc3Nc2n1
Show InChI InChI=1S/C27H20F3N3O2/c28-27(29,30)24-15-12-19-17-33(23-9-5-4-8-22(23)31-26(19)32-24)25(34)16-18-10-13-21(14-11-18)35-20-6-2-1-3-7-20/h1-15H,16-17H2,(H,31,32)
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n/an/an/an/a 368n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


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


Bioorg Med Chem 23: 89-104 (2014)


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


(HUMAN)
BDBM50447486
PNG
(CHEMBL3115379)
Show SMILES CC(C)(C)COc1cccc(CC(=O)N2CCNc3nc(ccc3C2)C(F)(F)F)c1
Show InChI InChI=1S/C22H26F3N3O2/c1-21(2,3)14-30-17-6-4-5-15(11-17)12-19(29)28-10-9-26-20-16(13-28)7-8-18(27-20)22(23,24)25/h4-8,11H,9-10,12-14H2,1-3H3,(H,26,27)
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n/an/an/an/a 199n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


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


Bioorg Med Chem 23: 89-104 (2014)


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


(HUMAN)
BDBM50041417
PNG
(CHEMBL3356405)
Show SMILES CCCCC(=O)Oc1cccc(CC(=O)N2CCNc3nc(ccc3[C@H]2CC(O)=O)C(F)(F)F)c1
Show InChI InChI=1S/C24H26F3N3O5/c1-2-3-7-22(34)35-16-6-4-5-15(12-16)13-20(31)30-11-10-28-23-17(18(30)14-21(32)33)8-9-19(29-23)24(25,26)27/h4-6,8-9,12,18H,2-3,7,10-11,13-14H2,1H3,(H,28,29)(H,32,33)/t18-/m1/s1
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n/an/an/an/a 19n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


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


Bioorg Med Chem 23: 89-104 (2014)


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


(HUMAN)
BDBM50381914
PNG
(CHEMBL2023109 | MK-7725)
Show SMILES CC(C)(O)c1nc(no1)-c1cccc2Nc3nc(ccc3CN(c12)S(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(F)(F)F
Show InChI InChI=1S/C25H19F6N5O5S/c1-23(2,37)22-34-21(35-41-22)16-4-3-5-17-19(16)36(12-13-6-11-18(24(26,27)28)33-20(13)32-17)42(38,39)15-9-7-14(8-10-15)40-25(29,30)31/h3-11,37H,12H2,1-2H3,(H,32,33)
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n/an/an/an/a 73n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


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


Bioorg Med Chem 23: 89-104 (2014)


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


(Mus musculus)
BDBM50447503
PNG
(CHEMBL3115393)
Show SMILES FC(F)(F)c1ccc2CN(C(=O)Cc3ccc(Oc4ccccc4)cc3)c3ccccc3Nc2n1
Show InChI InChI=1S/C27H20F3N3O2/c28-27(29,30)24-15-12-19-17-33(23-9-5-4-8-22(23)31-26(19)32-24)25(34)16-18-10-13-21(14-11-18)35-20-6-2-1-3-7-20/h1-15H,16-17H2,(H,31,32)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


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


Bioorg Med Chem 23: 89-104 (2014)


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


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



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at mouse 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)
BDBM50041416
PNG
(CHEMBL3356404)
Show SMILES CC(C)CC(=O)Oc1cccc(CC(=O)N2CCNc3nc(ccc3[C@H]2CC(O)=O)C(F)(F)F)c1
Show InChI InChI=1S/C24H26F3N3O5/c1-14(2)10-22(34)35-16-5-3-4-15(11-16)12-20(31)30-9-8-28-23-17(18(30)13-21(32)33)6-7-19(29-23)24(25,26)27/h3-7,11,14,18H,8-10,12-13H2,1-2H3,(H,28,29)(H,32,33)/t18-/m1/s1
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n/an/an/an/a 43n/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)
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
BRS3


(HUMAN)
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 9.5n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


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


Bioorg Med Chem 23: 89-104 (2014)


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


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



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


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


Bioorg Med Chem 23: 89-104 (2014)


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


(HUMAN)
BDBM50447476
PNG
(CHEMBL3115389)
Show SMILES CC(C)COc1cccc(CC(=O)N2CCNc3nc(ccc3[C@H]2CC(O)=O)C(F)(F)F)c1
Show InChI InChI=1S/C23H26F3N3O4/c1-14(2)13-33-16-5-3-4-15(10-16)11-20(30)29-9-8-27-22-17(18(29)12-21(31)32)6-7-19(28-22)23(24,25)26/h3-7,10,14,18H,8-9,11-13H2,1-2H3,(H,27,28)(H,31,32)/t18-/m1/s1
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n/an/an/an/a 17n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


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


Bioorg Med Chem 23: 89-104 (2014)


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


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



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


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


Bioorg Med Chem 23: 89-104 (2014)


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


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



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


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


Bioorg Med Chem 23: 89-104 (2014)


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


(HUMAN)
BDBM50447473
PNG
(CHEMBL3115369)
Show SMILES CC(C)C1CN(Cc2ccccc2)c2ccccc2CN1C(=O)Nc1cccc(c1)N1CCOCC1
Show InChI InChI=1S/C30H36N4O2/c1-23(2)29-22-33(20-24-9-4-3-5-10-24)28-14-7-6-11-25(28)21-34(29)30(35)31-26-12-8-13-27(19-26)32-15-17-36-18-16-32/h3-14,19,23,29H,15-18,20-22H2,1-2H3,(H,31,35)
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n/an/an/an/a 131n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


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


Bioorg Med Chem 23: 89-104 (2014)


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


(Mus musculus)
BDBM50447488
PNG
(CHEMBL3115377)
Show SMILES CCCCOc1cccc(CC(=O)N2CCNc3nc(ccc3C2)C(F)(F)F)c1
Show InChI InChI=1S/C21H24F3N3O2/c1-2-3-11-29-17-6-4-5-15(12-17)13-19(28)27-10-9-25-20-16(14-27)7-8-18(26-20)21(22,23)24/h4-8,12H,2-3,9-11,13-14H2,1H3,(H,25,26)
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n/an/an/an/a 52n/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)
BDBM50041414
PNG
(CHEMBL3356402)
Show SMILES OC(=O)C[C@H]1N(CCNc2nc(ccc12)C(F)(F)F)C(=O)Cc1cccc(O)c1
Show InChI InChI=1S/C19H18F3N3O4/c20-19(21,22)15-5-4-13-14(10-17(28)29)25(7-6-23-18(13)24-15)16(27)9-11-2-1-3-12(26)8-11/h1-5,8,14,26H,6-7,9-10H2,(H,23,24)(H,28,29)/t14-/m1/s1
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n/an/an/an/a>1.00E+4n/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)
BDBM50041415
PNG
(CHEMBL3356403)
Show SMILES CC(C)C(=O)Oc1cccc(CC(=O)N2CCNc3nc(ccc3[C@H]2CC(O)=O)C(F)(F)F)c1
Show InChI InChI=1S/C23H24F3N3O5/c1-13(2)22(33)34-15-5-3-4-14(10-15)11-19(30)29-9-8-27-21-16(17(29)12-20(31)32)6-7-18(28-21)23(24,25)26/h3-7,10,13,17H,8-9,11-12H2,1-2H3,(H,27,28)(H,31,32)/t17-/m1/s1
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n/an/an/an/a 282n/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)
BDBM50041417
PNG
(CHEMBL3356405)
Show SMILES CCCCC(=O)Oc1cccc(CC(=O)N2CCNc3nc(ccc3[C@H]2CC(O)=O)C(F)(F)F)c1
Show InChI InChI=1S/C24H26F3N3O5/c1-2-3-7-22(34)35-16-6-4-5-15(12-16)13-20(31)30-11-10-28-23-17(18(30)14-21(32)33)8-9-19(29-23)24(25,26)27/h4-6,8-9,12,18H,2-3,7,10-11,13-14H2,1H3,(H,28,29)(H,32,33)/t18-/m1/s1
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n/an/an/an/a 35n/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)
BDBM50041420
PNG
(CHEMBL3356407)
Show SMILES CC(C)(C)CC(=O)Oc1cccc(CC(=O)N2CCNc3nc(ccc3[C@H]2CC(O)=O)C(F)(F)F)c1
Show InChI InChI=1S/C25H28F3N3O5/c1-24(2,3)14-22(35)36-16-6-4-5-15(11-16)12-20(32)31-10-9-29-23-17(18(31)13-21(33)34)7-8-19(30-23)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 20n/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
BRS3


(HUMAN)
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 8.5n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


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


Bioorg Med Chem 23: 89-104 (2014)


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


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



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


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


Bioorg Med Chem 23: 89-104 (2014)


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


(HUMAN)
BDBM50041415
PNG
(CHEMBL3356403)
Show SMILES CC(C)C(=O)Oc1cccc(CC(=O)N2CCNc3nc(ccc3[C@H]2CC(O)=O)C(F)(F)F)c1
Show InChI InChI=1S/C23H24F3N3O5/c1-13(2)22(33)34-15-5-3-4-14(10-15)11-19(30)29-9-8-27-21-16(17(29)12-20(31)32)6-7-18(28-21)23(24,25)26/h3-7,10,13,17H,8-9,11-12H2,1-2H3,(H,27,28)(H,31,32)/t17-/m1/s1
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n/an/an/an/a 68n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


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


Bioorg Med Chem 23: 89-104 (2014)


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


(HUMAN)
BDBM50041418
PNG
(CHEMBL3356406)
Show SMILES OC(=O)C[C@H]1N(CCNc2nc(ccc12)C(F)(F)F)C(=O)Cc1cccc(OC(=O)CC2CC2)c1
Show InChI InChI=1S/C24H24F3N3O5/c25-24(26,27)19-7-6-17-18(13-21(32)33)30(9-8-28-23(17)29-19)20(31)11-15-2-1-3-16(10-15)35-22(34)12-14-4-5-14/h1-3,6-7,10,14,18H,4-5,8-9,11-13H2,(H,28,29)(H,32,33)/t18-/m1/s1
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n/an/an/an/a 42n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


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


Bioorg Med Chem 23: 89-104 (2014)


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


(HUMAN)
BDBM50041420
PNG
(CHEMBL3356407)
Show SMILES CC(C)(C)CC(=O)Oc1cccc(CC(=O)N2CCNc3nc(ccc3[C@H]2CC(O)=O)C(F)(F)F)c1
Show InChI InChI=1S/C25H28F3N3O5/c1-24(2,3)14-22(35)36-16-6-4-5-15(11-16)12-20(32)31-10-9-29-23-17(18(31)13-21(33)34)7-8-19(30-23)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 8.70n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


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


Bioorg Med Chem 23: 89-104 (2014)


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


(Mus musculus)
BDBM50447505
PNG
(CHEMBL3115391)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)N1Cc2ccc(nc2Nc2ccccc12)C(F)(F)F
Show InChI InChI=1S/C24H22F3N3O/c1-23(2,3)17-11-8-15(9-12-17)22(31)30-14-16-10-13-20(24(25,26)27)29-21(16)28-18-6-4-5-7-19(18)30/h4-13H,14H2,1-3H3,(H,28,29)
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n/an/an/an/a>1.00E+4n/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)
BDBM50447504
PNG
(CHEMBL3115392)
Show SMILES CC(C)(C)c1ccc(CC(=O)N2Cc3ccc(nc3Nc3ccccc23)C(F)(F)F)cc1
Show InChI InChI=1S/C25H24F3N3O/c1-24(2,3)18-11-8-16(9-12-18)14-22(32)31-15-17-10-13-21(25(26,27)28)30-23(17)29-19-6-4-5-7-20(19)31/h4-13H,14-15H2,1-3H3,(H,29,30)
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n/an/an/an/a 227n/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)
BDBM50447502
PNG
(CHEMBL3115394)
Show SMILES FC(F)(F)c1ccc2CN(C(=O)Cc3cccc(Oc4ccccc4)c3)c3ccccc3Nc2n1
Show InChI InChI=1S/C27H20F3N3O2/c28-27(29,30)24-14-13-19-17-33(23-12-5-4-11-22(23)31-26(19)32-24)25(34)16-18-7-6-10-21(15-18)35-20-8-2-1-3-9-20/h1-15H,16-17H2,(H,31,32)
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n/an/an/an/a 46n/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)
BDBM50447487
PNG
(CHEMBL3115378)
Show SMILES CC(C)COc1cccc(CC(=O)N2CCNc3nc(ccc3C2)C(F)(F)F)c1
Show InChI InChI=1S/C21H24F3N3O2/c1-14(2)13-29-17-5-3-4-15(10-17)11-19(28)27-9-8-25-20-16(12-27)6-7-18(26-20)21(22,23)24/h3-7,10,14H,8-9,11-13H2,1-2H3,(H,25,26)
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n/an/an/an/a 62n/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)
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
BRS3


(HUMAN)
BDBM50447502
PNG
(CHEMBL3115394)
Show SMILES FC(F)(F)c1ccc2CN(C(=O)Cc3cccc(Oc4ccccc4)c3)c3ccccc3Nc2n1
Show InChI InChI=1S/C27H20F3N3O2/c28-27(29,30)24-14-13-19-17-33(23-12-5-4-11-22(23)31-26(19)32-24)25(34)16-18-7-6-10-21(15-18)35-20-8-2-1-3-9-20/h1-15H,16-17H2,(H,31,32)
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n/an/an/an/a 25n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


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


Bioorg Med Chem 23: 89-104 (2014)


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


(HUMAN)
BDBM50447480
PNG
(CHEMBL3115385)
Show SMILES OC(=O)CC1N(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)
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n/an/an/an/a 13n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


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


Bioorg Med Chem 23: 89-104 (2014)


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


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



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


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


Bioorg Med Chem 23: 89-104 (2014)


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


(HUMAN)
BDBM50041414
PNG
(CHEMBL3356402)
Show SMILES OC(=O)C[C@H]1N(CCNc2nc(ccc12)C(F)(F)F)C(=O)Cc1cccc(O)c1
Show InChI InChI=1S/C19H18F3N3O4/c20-19(21,22)15-5-4-13-14(10-17(28)29)25(7-6-23-18(13)24-15)16(27)9-11-2-1-3-12(26)8-11/h1-5,8,14,26H,6-7,9-10H2,(H,23,24)(H,28,29)/t14-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


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


Bioorg Med Chem 23: 89-104 (2014)


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


(HUMAN)
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 5.60n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


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


Bioorg Med Chem 23: 89-104 (2014)


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


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



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


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


Bioorg Med Chem 23: 89-104 (2014)


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


(Mus musculus)
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)
BDBM50041421
PNG
(CHEMBL3356408)
Show SMILES OC(=O)C[C@H]1N(CCNc2nc(ccc12)C(F)(F)F)C(=O)Cc1cccc(c1)C(O)=O
Show InChI InChI=1S/C20H18F3N3O5/c21-20(22,23)15-5-4-13-14(10-17(28)29)26(7-6-24-18(13)25-15)16(27)9-11-2-1-3-12(8-11)19(30)31/h1-5,8,14H,6-7,9-10H2,(H,24,25)(H,28,29)(H,30,31)/t14-/m1/s1
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n/an/an/an/a>1.00E+4n/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)
BDBM50447474
PNG
(CHEMBL3115370)
Show SMILES CC(C)C1CN(Cc2ccccc2)c2ccccc2CN1C(C)=O
Show InChI InChI=1S/C21H26N2O/c1-16(2)21-15-22(13-18-9-5-4-6-10-18)20-12-8-7-11-19(20)14-23(21)17(3)24/h4-12,16,21H,13-15H2,1-3H3
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n/an/an/an/a 256n/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
BRS3


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



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


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


Bioorg Med Chem 23: 89-104 (2014)


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


(HUMAN)
BDBM50447489
PNG
(CHEMBL3115376)
Show SMILES CC(C)Oc1cccc(CC(=O)N2CCNc3nc(ccc3C2)C(F)(F)F)c1
Show InChI InChI=1S/C20H22F3N3O2/c1-13(2)28-16-5-3-4-14(10-16)11-18(27)26-9-8-24-19-15(12-26)6-7-17(25-19)20(21,22)23/h3-7,10,13H,8-9,11-12H2,1-2H3,(H,24,25)
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n/an/an/an/a 381n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


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


Bioorg Med Chem 23: 89-104 (2014)


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


(HUMAN)
BDBM50447487
PNG
(CHEMBL3115378)
Show SMILES CC(C)COc1cccc(CC(=O)N2CCNc3nc(ccc3C2)C(F)(F)F)c1
Show InChI InChI=1S/C21H24F3N3O2/c1-14(2)13-29-17-5-3-4-15(10-17)11-19(28)27-9-8-25-20-16(12-27)6-7-18(26-20)21(22,23)24/h3-7,10,14H,8-9,11-13H2,1-2H3,(H,25,26)
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n/an/an/an/a 70n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


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


Bioorg Med Chem 23: 89-104 (2014)


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


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



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


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


Bioorg Med Chem 23: 89-104 (2014)


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


(HUMAN)
BDBM50447474
PNG
(CHEMBL3115370)
Show SMILES CC(C)C1CN(Cc2ccccc2)c2ccccc2CN1C(C)=O
Show InChI InChI=1S/C21H26N2O/c1-16(2)21-15-22(13-18-9-5-4-6-10-18)20-12-8-7-11-19(20)14-23(21)17(3)24/h4-12,16,21H,13-15H2,1-3H3
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n/an/an/an/a 916n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


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


Bioorg Med Chem 23: 89-104 (2014)


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


(Mus musculus)
BDBM50394618
PNG
(CHEMBL2164575)
Show SMILES Cc1ccc2Nc3nc(ccc3CN(c2c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C)C(F)(F)F
Show InChI InChI=1S/C25H26F3N3O2S/c1-15-6-12-20-22(16(15)2)31(14-17-7-13-21(25(26,27)28)30-23(17)29-20)34(32,33)19-10-8-18(9-11-19)24(3,4)5/h6-13H,14H2,1-5H3,(H,29,30)
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n/an/an/an/a 33n/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)
BDBM50447486
PNG
(CHEMBL3115379)
Show SMILES CC(C)(C)COc1cccc(CC(=O)N2CCNc3nc(ccc3C2)C(F)(F)F)c1
Show InChI InChI=1S/C22H26F3N3O2/c1-21(2,3)14-30-17-6-4-5-15(11-17)12-19(29)28-10-9-26-20-16(13-28)7-8-18(27-20)22(23,24)25/h4-8,11H,9-10,12-14H2,1-3H3,(H,26,27)
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n/an/an/an/a 121n/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)
BDBM50041422
PNG
(CHEMBL3356409)
Show SMILES CC(C)OC(=O)c1cccc(CC(=O)N2CCNc3nc(ccc3[C@H]2CC(O)=O)C(F)(F)F)c1
Show InChI InChI=1S/C23H24F3N3O5/c1-13(2)34-22(33)15-5-3-4-14(10-15)11-19(30)29-9-8-27-21-16(17(29)12-20(31)32)6-7-18(28-21)23(24,25)26/h3-7,10,13,17H,8-9,11-12H2,1-2H3,(H,27,28)(H,31,32)/t17-/m1/s1
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n/an/an/an/a 45n/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)
BDBM50336889
PNG
((2S)-1,1,1-trifluoro-2-[4-(1H-pyrazol-1-yl)phenyl]...)
Show SMILES O[C@@](Cc1ncc(CC2(CC2)C(F)(F)F)[nH]1)(c1ccc(cc1)-n1cccn1)C(F)(F)F
Show InChI InChI=1S/C20H18F6N4O/c21-19(22,23)17(6-7-17)10-14-12-27-16(29-14)11-18(31,20(24,25)26)13-2-4-15(5-3-13)30-9-1-8-28-30/h1-5,8-9,12,31H,6-7,10-11H2,(H,27,29)/t18-/m0/s1
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n/an/an/an/a 21n/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)
BDBM50381914
PNG
(CHEMBL2023109 | MK-7725)
Show SMILES CC(C)(O)c1nc(no1)-c1cccc2Nc3nc(ccc3CN(c12)S(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(F)(F)F
Show InChI InChI=1S/C25H19F6N5O5S/c1-23(2,37)22-34-21(35-41-22)16-4-3-5-17-19(16)36(12-13-6-11-18(24(26,27)28)33-20(13)32-17)42(38,39)15-9-7-14(8-10-15)40-25(29,30)31/h3-11,37H,12H2,1-2H3,(H,32,33)
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n/an/an/an/a 130n/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)
BDBM50447473
PNG
(CHEMBL3115369)
Show SMILES CC(C)C1CN(Cc2ccccc2)c2ccccc2CN1C(=O)Nc1cccc(c1)N1CCOCC1
Show InChI InChI=1S/C30H36N4O2/c1-23(2)29-22-33(20-24-9-4-3-5-10-24)28-14-7-6-11-25(28)21-34(29)30(35)31-26-12-8-13-27(19-26)32-15-17-36-18-16-32/h3-14,19,23,29H,15-18,20-22H2,1-2H3,(H,31,35)
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n/an/an/an/a 34n/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
BRS3


(HUMAN)
BDBM50394618
PNG
(CHEMBL2164575)
Show SMILES Cc1ccc2Nc3nc(ccc3CN(c2c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C)C(F)(F)F
Show InChI InChI=1S/C25H26F3N3O2S/c1-15-6-12-20-22(16(15)2)31(14-17-7-13-21(25(26,27)28)30-23(17)29-20)34(32,33)19-10-8-18(9-11-19)24(3,4)5/h6-13H,14H2,1-5H3,(H,29,30)
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n/an/an/an/a 97n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


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


Bioorg Med Chem 23: 89-104 (2014)


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


(HUMAN)
BDBM50447505
PNG
(CHEMBL3115391)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)N1Cc2ccc(nc2Nc2ccccc12)C(F)(F)F
Show InChI InChI=1S/C24H22F3N3O/c1-23(2,3)17-11-8-15(9-12-17)22(31)30-14-16-10-13-20(24(25,26)27)29-21(16)28-18-6-4-5-7-19(18)30/h4-13H,14H2,1-3H3,(H,28,29)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


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


Bioorg Med Chem 23: 89-104 (2014)


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


(HUMAN)
BDBM50447488
PNG
(CHEMBL3115377)
Show SMILES CCCCOc1cccc(CC(=O)N2CCNc3nc(ccc3C2)C(F)(F)F)c1
Show InChI InChI=1S/C21H24F3N3O2/c1-2-3-11-29-17-6-4-5-15(12-17)13-19(28)27-10-9-25-20-16(14-27)7-8-18(26-20)21(22,23)24/h4-8,12H,2-3,9-11,13-14H2,1H3,(H,25,26)
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n/an/an/an/a 59n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


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


Bioorg Med Chem 23: 89-104 (2014)


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


(HUMAN)
BDBM50447478
PNG
(CHEMBL3115387)
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-/m0/s1
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n/an/an/an/a 2.07E+3n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


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


Bioorg Med Chem 23: 89-104 (2014)


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


(HUMAN)
BDBM50041416
PNG
(CHEMBL3356404)
Show SMILES CC(C)CC(=O)Oc1cccc(CC(=O)N2CCNc3nc(ccc3[C@H]2CC(O)=O)C(F)(F)F)c1
Show InChI InChI=1S/C24H26F3N3O5/c1-14(2)10-22(34)35-16-5-3-4-15(11-16)12-20(31)30-9-8-28-23-17(18(30)13-21(32)33)6-7-19(29-23)24(25,26)27/h3-7,11,14,18H,8-10,12-13H2,1-2H3,(H,28,29)(H,32,33)/t18-/m1/s1
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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 human BRS3 expressed in CHO-K1 cells by IP-One HTRF assay


Bioorg Med Chem 23: 89-104 (2014)


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


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



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


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


Bioorg Med Chem 23: 89-104 (2014)


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


(Mus musculus)
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
* indicates data uncertainty>20%