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Compile Data Set for Download or QSAR

Found 356 hits of ec50 data for polymerid = 49000303   
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
BRS3


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



Technische Universität München

Curated by ChEMBL


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


J Med Chem 46: 1918-30 (2003)

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)

More data for this
Ligand-Target Pair
BRS3


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



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
BRS3


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



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
BRS3


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



Technische Universität München

Curated by ChEMBL


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


J Med Chem 46: 1918-30 (2003)

More data for this
Ligand-Target Pair
BRS3


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



Technische Universität München

Curated by ChEMBL


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


J Med Chem 46: 1918-30 (2003)

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)

More data for this
Ligand-Target Pair
BRS3


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



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


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


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

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)

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)

More data for this
Ligand-Target Pair
BRS3


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



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
BRS3


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



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
BRS3


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



Technische Universität München

Curated by ChEMBL


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


J Med Chem 46: 1918-30 (2003)

More data for this
Ligand-Target Pair
BRS3


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



Technische Universität München

Curated by ChEMBL


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


J Med Chem 46: 1918-30 (2003)

More data for this
Ligand-Target Pair
BRS3


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



Technische Universität München

Curated by ChEMBL


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


J Med Chem 46: 1918-30 (2003)

More data for this
Ligand-Target Pair
BRS3


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



Technische Universität München

Curated by ChEMBL


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


J Med Chem 46: 1918-30 (2003)

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=1/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-/s2
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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)

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)

More data for this
Ligand-Target Pair
BRS3


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



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50275902
PNG
(CHEMBL525577 | D-Phe-Gln-Trp-Ala-Val-b-Ala-His-Phe...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccccc1)C(C)C)C(N)=O
Show InChI InChI=1S/C57H76N14O10/c1-6-7-21-42(49(60)73)66-55(79)44(26-36-18-12-9-13-19-36)69-56(80)46(28-38-30-61-31-63-38)68-50(74)33(4)65-57(81)48(32(2)3)71-51(75)34(5)64-54(78)45(27-37-29-62-41-22-15-14-20-39(37)41)70-53(77)43(23-24-47(59)72)67-52(76)40(58)25-35-16-10-8-11-17-35/h8-20,22,29-34,40,42-46,48,62H,6-7,21,23-28,58H2,1-5H3,(H2,59,72)(H2,60,73)(H,61,63)(H,64,78)(H,65,81)(H,66,79)(H,67,76)(H,68,74)(H,69,80)(H,70,77)(H,71,75)/t33-,34+,40-,42+,43+,44+,45+,46+,48+/m1/s1
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n/an/an/an/a 3.90n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 5451-5 (2008)

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=1/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-/s2
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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)

More data for this
Ligand-Target Pair
BRS3


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



Technische Universität München

Curated by ChEMBL


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


J Med Chem 46: 1918-30 (2003)

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=1/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-/s2
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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)

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=1/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-/s2
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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)

More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50127534
PNG
(CHEMBL56626 | peptidomimetic)
Show SMILES Clc1ccc(CNNC(=O)NC(Cc2c[nH]c3ccccc23)C(=O)NCCc2ccccc2)cc1
Show InChI InChI=1S/C27H28ClN5O2/c28-22-12-10-20(11-13-22)17-31-33-27(35)32-25(16-21-18-30-24-9-5-4-8-23(21)24)26(34)29-15-14-19-6-2-1-3-7-19/h1-13,18,25,30-31H,14-17H2,(H,29,34)(H2,32,33,35)
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n/an/an/an/a 6n/an/an/an/a



Technische Universität München

Curated by ChEMBL


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


J Med Chem 46: 1918-30 (2003)

More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50447498
PNG
(CHEMBL3115398)
Show SMILES Fc1cccc(Oc2cccc(CC(=O)N3CCNc4nc(ccc4C3)C(F)(F)F)c2)c1
Show InChI InChI=1S/C23H19F4N3O2/c24-17-4-2-6-19(13-17)32-18-5-1-3-15(11-18)12-21(31)30-10-9-28-22-16(14-30)7-8-20(29-22)23(25,26)27/h1-8,11,13H,9-10,12,14H2,(H,28,29)
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n/an/an/an/a 6.80n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50447499
PNG
(CHEMBL3115397)
Show SMILES Fc1ccccc1Oc1cccc(CC(=O)N2CCNc3nc(ccc3C2)C(F)(F)F)c1
Show InChI InChI=1S/C23H19F4N3O2/c24-18-6-1-2-7-19(18)32-17-5-3-4-15(12-17)13-21(31)30-11-10-28-22-16(14-30)8-9-20(29-22)23(25,26)27/h1-9,12H,10-11,13-14H2,(H,28,29)
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n/an/an/an/a 6.90n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50127530
PNG
(2-[2-(2-Benzo[1,3]dioxol-5-yl-acetylamino)-propion...)
Show SMILES CC(NC(=O)Cc1ccc2OCOc2c1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C31H32N4O5/c1-20(34-29(36)16-22-11-12-27-28(15-22)40-19-39-27)30(37)35-26(17-23-18-33-25-10-6-5-9-24(23)25)31(38)32-14-13-21-7-3-2-4-8-21/h2-12,15,18,20,26,33H,13-14,16-17,19H2,1H3,(H,32,38)(H,34,36)(H,35,37)
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n/an/an/an/a 7.80n/an/an/an/a



Technische Universität München

Curated by ChEMBL


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


J Med Chem 46: 1918-30 (2003)

More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50447484
PNG
(CHEMBL3115381)
Show SMILES FC(F)(F)c1ccc2CN(CCNc2n1)C(=O)Cc1cccc(OC2CCCCC2)c1
Show InChI InChI=1S/C23H26F3N3O2/c24-23(25,26)20-10-9-17-15-29(12-11-27-22(17)28-20)21(30)14-16-5-4-8-19(13-16)31-18-6-2-1-3-7-18/h4-5,8-10,13,18H,1-3,6-7,11-12,14-15H2,(H,27,28)
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n/an/an/an/a 8.10n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


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


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

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)

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 BRS-3 expressed in CHOK1 cells after 1 hr by HTRF assay


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

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=1/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-/s2
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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)

More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50127551
PNG
(CHEMBL292646 | peptidomimetic)
Show SMILES O=C(CC1NCCc2ccccc12)NNC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C31H34N6O3/c38-29(19-27-24-11-5-4-10-22(24)15-17-32-27)36-37-31(40)35-28(18-23-20-34-26-13-7-6-12-25(23)26)30(39)33-16-14-21-8-2-1-3-9-21/h1-13,20,27-28,32,34H,14-19H2,(H,33,39)(H,36,38)(H2,35,37,40)
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n/an/an/an/a 9.30n/an/an/an/a



Technische Universität München

Curated by ChEMBL


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


J Med Chem 46: 1918-30 (2003)

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 BRS-3 expressed in CHOK1 cells after 1 hr by HTRF assay


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

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)

More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50447481
PNG
(CHEMBL3115384)
Show SMILES OCCC1N(CCNc2nc(ccc12)C(F)(F)F)C(=O)Cc1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C25H24F3N3O3/c26-25(27,28)22-10-9-20-21(11-14-32)31(13-12-29-24(20)30-22)23(33)16-17-5-4-8-19(15-17)34-18-6-2-1-3-7-18/h1-10,15,21,32H,11-14,16H2,(H,29,30)
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n/an/an/an/a 11n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


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


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

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=1/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-/s2
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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)

More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50447483
PNG
(CHEMBL3115382)
Show SMILES OCC1N(CCNc2nc(ccc12)C(F)(F)F)C(=O)Cc1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C24H22F3N3O3/c25-24(26,27)21-10-9-19-20(15-31)30(12-11-28-23(19)29-21)22(32)14-16-5-4-8-18(13-16)33-17-6-2-1-3-7-17/h1-10,13,20,31H,11-12,14-15H2,(H,28,29)
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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 BRS-3 expressed in CHOK1 cells after 1 hr by HTRF assay


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

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)

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 BRS-3 expressed in CHOK1 cells after 1 hr by HTRF assay


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

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)

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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TBA

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50336888
PNG
(2-[4-(1H-pyrazol-1-yl)phenyl]-1-(4-{[1-(trifluorom...)
Show SMILES CC(O)(Cc1ncc(CC2(CC2)C(F)(F)F)[nH]1)c1ccc(cc1)-n1cccn1
Show InChI InChI=1S/C20H21F3N4O/c1-18(28,14-3-5-16(6-4-14)27-10-2-9-25-27)12-17-24-13-15(26-17)11-19(7-8-19)20(21,22)23/h2-6,9-10,13,28H,7-8,11-12H2,1H3,(H,24,26)
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TBA

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
BRS3


(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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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human BRS3 expressed in human HEK293AEQ cells measured for 10 mins by aequorin bioluminescence assay


Bioorg Med Chem 20: 2845-9 (2012)

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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TBA

Assay Description
Agonist activity at human BRS3 expressed in HEK293 cells expressing aequorin measured for 10 mins by bioluminescence assay


Citation and Details
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50127526
PNG
(CHEMBL56562 | peptidomimetic)
Show SMILES O=C(NNCc1ccccc1)NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C27H29N5O2/c33-26(28-16-15-20-9-3-1-4-10-20)25(17-22-19-29-24-14-8-7-13-23(22)24)31-27(34)32-30-18-21-11-5-2-6-12-21/h1-14,19,25,29-30H,15-18H2,(H,28,33)(H2,31,32,34)
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Technische Universität München

Curated by ChEMBL


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


J Med Chem 46: 1918-30 (2003)

More data for this
Ligand-Target Pair
BRS3


(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
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/an/an/a 15n/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Agonist activity at human BRS3


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

More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50314967
PNG
(6-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)et...)
Show SMILES CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2cccc(n2)C(O)=O)[nH]1
Show InChI InChI=1S/C23H27N3O2/c1-4-23(2,3)14-18-15-24-21(25-18)13-10-16-8-11-17(12-9-16)19-6-5-7-20(26-19)22(27)28/h5-9,11-12,15H,4,10,13-14H2,1-3H3,(H,24,25)(H,27,28)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human BRS-3 expressed in HEK293 cells coexpressing AEQ over 10 mins by aequorin bioluminescence assay relative to D-Tyr6-betaAla1...


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

More data for this
Ligand-Target Pair
BRS3


(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/an/an/a 16n/an/an/an/a



TBA

Curated by ChEMBL


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


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

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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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)

More data for this
Ligand-Target Pair
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