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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.


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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.


Citation and Details
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.


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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.


Citation and Details
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.


Citation and Details
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.


Citation and Details
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.


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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...


Citation and Details
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


Citation and Details
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.


Citation and Details
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


Citation and Details
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


Citation and Details
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.


Citation and Details
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


Citation and Details
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


Citation and Details
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.


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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.


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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



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 ...


Citation and Details
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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n/an/an/an/a 14n/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 ...


Citation and Details
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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n/an/an/an/a 15n/an/an/an/a



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


Citation and Details
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 15n/an/an/an/a


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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n/an/an/an/a 15n/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.


Citation and Details
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


Citation and Details
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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n/an/an/an/a 15n/an/an/an/a



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...


Citation and Details
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 ...


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
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