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Compile Data Set for Download or QSAR

Found 38 hits of ec50 data for polymerid = 49000300   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bombesin


(RAT)
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 2.20n/an/an/an/a



TBA

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Bombesin


(RAT)
BDBM50317453
PNG
(CHEMBL1098836 | N-(7-benzyl-5-(piperidin-1-yl)-6,7...)
Show SMILES CC(C)(C)C(=O)Nc1n[nH]c2nc(N3CCCCC3)c3CN(Cc4ccccc4)CCc3c12
Show InChI InChI=1S/C26H34N6O/c1-26(2,3)25(33)28-23-21-19-12-15-31(16-18-10-6-4-7-11-18)17-20(19)24(27-22(21)29-30-23)32-13-8-5-9-14-32/h4,6-7,10-11H,5,8-9,12-17H2,1-3H3,(H2,27,28,29,30,33)
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n/an/an/an/a 63n/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Agonist activity at rat BRS3 expressed in HEK293AEQ cells after 10 mins by aequorin bioluminescence assay


Bioorg Med Chem Lett 20: 2785-9 (2010)

More data for this
Ligand-Target Pair
Bombesin


(RAT)
BDBM50317454
PNG
(CHEMBL1096193 | N-(7-benzyl-5-(piperidin-1-yl)-6,7...)
Show SMILES CC(C)C(=O)Nc1n[nH]c2nc(N3CCCCC3)c3CN(Cc4ccccc4)CCc3c12
Show InChI InChI=1S/C25H32N6O/c1-17(2)25(32)27-23-21-19-11-14-30(15-18-9-5-3-6-10-18)16-20(19)24(26-22(21)28-29-23)31-12-7-4-8-13-31/h3,5-6,9-10,17H,4,7-8,11-16H2,1-2H3,(H2,26,27,28,29,32)
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n/an/an/an/a 99n/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Agonist activity at rat BRS3 expressed in HEK293AEQ cells after 10 mins by aequorin bioluminescence assay


Bioorg Med Chem Lett 20: 2785-9 (2010)

More data for this
Ligand-Target Pair
Bombesin


(RAT)
BDBM50317455
PNG
(CHEMBL1099123 | N-(7-benzyl-5-(piperidin-1-yl)-6,7...)
Show SMILES CCC(=O)Nc1n[nH]c2nc(N3CCCCC3)c3CN(Cc4ccccc4)CCc3c12
Show InChI InChI=1S/C24H30N6O/c1-2-20(31)25-22-21-18-11-14-29(15-17-9-5-3-6-10-17)16-19(18)24(26-23(21)28-27-22)30-12-7-4-8-13-30/h3,5-6,9-10H,2,4,7-8,11-16H2,1H3,(H2,25,26,27,28,31)
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n/an/an/an/a 123n/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Agonist activity at rat BRS3 expressed in HEK293AEQ cells after 10 mins by aequorin bioluminescence assay


Bioorg Med Chem Lett 20: 2785-9 (2010)

More data for this
Ligand-Target Pair
Bombesin


(RAT)
BDBM50317456
PNG
(CHEMBL1099122 | N-(7-benzyl-5-(piperidin-1-yl)-6,7...)
Show SMILES CC(=O)Nc1n[nH]c2nc(N3CCCCC3)c3CN(Cc4ccccc4)CCc3c12
Show InChI InChI=1S/C23H28N6O/c1-16(30)24-21-20-18-10-13-28(14-17-8-4-2-5-9-17)15-19(18)23(25-22(20)27-26-21)29-11-6-3-7-12-29/h2,4-5,8-9H,3,6-7,10-15H2,1H3,(H2,24,25,26,27,30)
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n/an/an/an/a 129n/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Agonist activity at rat BRS3 expressed in HEK293AEQ cells after 10 mins by aequorin bioluminescence assay


Bioorg Med Chem Lett 20: 2785-9 (2010)

More data for this
Ligand-Target Pair
Bombesin


(RAT)
BDBM50313710
PNG
(4'-(2-(5-butyl-1H-imidazol-2-yl)-5-hydroxypentyl)b...)
Show SMILES CCCCc1cnc([nH]1)C(CCCO)Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C25H30N2O3/c1-2-3-8-21-17-26-24(27-21)20(7-6-15-28)16-18-11-13-19(14-12-18)22-9-4-5-10-23(22)25(29)30/h4-5,9-14,17,20,28H,2-3,6-8,15-16H2,1H3,(H,26,27)(H,29,30)
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n/an/an/an/a 174n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonistic activity at rat BRS3 expressed in HEK293AEO at 10 uM by aequorin bioluminescence assay


Bioorg Med Chem Lett 20: 1913-7 (2010)

More data for this
Ligand-Target Pair
Bombesin


(RAT)
BDBM50317447
PNG
(CHEMBL1099135 | N-(7-benzyl-5-(piperidin-1-yl)-6,7...)
Show SMILES CCC(C)(C)C(=O)Nc1n[nH]c2nc(N3CCCCC3)c3CN(Cc4ccccc4)CCc3c12
Show InChI InChI=1S/C27H36N6O/c1-4-27(2,3)26(34)29-24-22-20-13-16-32(17-19-11-7-5-8-12-19)18-21(20)25(28-23(22)30-31-24)33-14-9-6-10-15-33/h5,7-8,11-12H,4,6,9-10,13-18H2,1-3H3,(H2,28,29,30,31,34)
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n/an/an/an/a 212n/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Agonist activity at rat BRS3 expressed in HEK293AEQ cells after 10 mins by aequorin bioluminescence assay


Bioorg Med Chem Lett 20: 2785-9 (2010)

More data for this
Ligand-Target Pair
Bombesin


(RAT)
BDBM50317466
PNG
(7-(2-chlorobenzyl)-5-(piperidin-1-yl)-6,7,8,9-tetr...)
Show SMILES Nc1n[nH]c2nc(N3CCCCC3)c3CN(Cc4ccccc4Cl)CCc3c12
Show InChI InChI=1S/C21H25ClN6/c22-17-7-3-2-6-14(17)12-27-11-8-15-16(13-27)21(28-9-4-1-5-10-28)24-20-18(15)19(23)25-26-20/h2-3,6-7H,1,4-5,8-13H2,(H3,23,24,25,26)
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n/an/an/an/a 342n/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Agonist activity at rat BRS3 expressed in HEK293AEQ cells after 10 mins by aequorin bioluminescence assay


Bioorg Med Chem Lett 20: 2785-9 (2010)

More data for this
Ligand-Target Pair
Bombesin


(RAT)
BDBM50317467
PNG
(5-(Piperidin-1-yl)-7-(pyridin-2-ylmethyl)-6,7,8,9-...)
Show SMILES Nc1n[nH]c2nc(N3CCCCC3)c3CN(Cc4ccccn4)CCc3c12
Show InChI InChI=1S/C20H25N7/c21-18-17-15-7-11-26(12-14-6-2-3-8-22-14)13-16(15)20(23-19(17)25-24-18)27-9-4-1-5-10-27/h2-3,6,8H,1,4-5,7,9-13H2,(H3,21,23,24,25)
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n/an/an/an/a 346n/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Agonist activity at rat BRS3 expressed in HEK293AEQ cells after 10 mins by aequorin bioluminescence assay


Bioorg Med Chem Lett 20: 2785-9 (2010)

More data for this
Ligand-Target Pair
Bombesin


(RAT)
BDBM50317448
PNG
(7-Benzyl-5-(piperidin-1-yl)-6,7,8,9-tetrahydro-3H-...)
Show SMILES Nc1n[nH]c2nc(N3CCCCC3)c3CN(Cc4ccccc4)CCc3c12
Show InChI InChI=1S/C21H26N6/c22-19-18-16-9-12-26(13-15-7-3-1-4-8-15)14-17(16)21(23-20(18)25-24-19)27-10-5-2-6-11-27/h1,3-4,7-8H,2,5-6,9-14H2,(H3,22,23,24,25)
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n/an/an/an/a 380n/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Agonist activity at rat BRS3 expressed in HEK293AEQ cells after 10 mins by aequorin bioluminescence assay


Bioorg Med Chem Lett 20: 2785-9 (2010)

More data for this
Ligand-Target Pair
Bombesin


(RAT)
BDBM50317462
PNG
(7-(benzo[d][1,3]dioxol-5-ylmethyl)-5-(piperidin-1-...)
Show SMILES Nc1n[nH]c2nc(N3CCCCC3)c3CN(Cc4ccc5OCOc5c4)CCc3c12
Show InChI InChI=1S/C22H26N6O2/c23-20-19-15-6-9-27(11-14-4-5-17-18(10-14)30-13-29-17)12-16(15)22(24-21(19)26-25-20)28-7-2-1-3-8-28/h4-5,10H,1-3,6-9,11-13H2,(H3,23,24,25,26)
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n/an/an/an/a 402n/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Agonist activity at rat BRS3 expressed in HEK293AEQ cells after 10 mins by aequorin bioluminescence assay


Bioorg Med Chem Lett 20: 2785-9 (2010)

More data for this
Ligand-Target Pair
Bombesin


(RAT)
BDBM50317451
PNG
(CHEMBL1098838 | N-(7-benzyl-5-(piperidin-1-yl)-6,7...)
Show SMILES O=C(Nc1n[nH]c2nc(N3CCCCC3)c3CN(Cc4ccccc4)CCc3c12)C1CCCC1
Show InChI InChI=1S/C27H34N6O/c34-27(20-11-5-6-12-20)29-25-23-21-13-16-32(17-19-9-3-1-4-10-19)18-22(21)26(28-24(23)30-31-25)33-14-7-2-8-15-33/h1,3-4,9-10,20H,2,5-8,11-18H2,(H2,28,29,30,31,34)
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AMRI

Curated by ChEMBL


Assay Description
Agonist activity at rat BRS3 expressed in HEK293AEQ cells after 10 mins by aequorin bioluminescence assay


Bioorg Med Chem Lett 20: 2785-9 (2010)

More data for this
Ligand-Target Pair
Bombesin


(RAT)
BDBM50317452
PNG
(CHEMBL1098837 | N-(7-Benzyl-5-(piperidin-1-yl)-6,7...)
Show SMILES CC(C)(C)CC(=O)Nc1n[nH]c2nc(N3CCCCC3)c3CN(Cc4ccccc4)CCc3c12
Show InChI InChI=1S/C27H36N6O/c1-27(2,3)16-22(34)28-24-23-20-12-15-32(17-19-10-6-4-7-11-19)18-21(20)26(29-25(23)31-30-24)33-13-8-5-9-14-33/h4,6-7,10-11H,5,8-9,12-18H2,1-3H3,(H2,28,29,30,31,34)
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AMRI

Curated by ChEMBL


Assay Description
Agonist activity at rat BRS3 expressed in HEK293AEQ cells after 10 mins by aequorin bioluminescence assay


Bioorg Med Chem Lett 20: 2785-9 (2010)

More data for this
Ligand-Target Pair
Bombesin


(RAT)
BDBM50317446
PNG
(7-benzyl-N-ethyl-5-(piperidin-1-yl)-6,7,8,9-tetrah...)
Show SMILES CCNc1n[nH]c2nc(N3CCCCC3)c3CN(Cc4ccccc4)CCc3c12
Show InChI InChI=1S/C23H30N6/c1-2-24-21-20-18-11-14-28(15-17-9-5-3-6-10-17)16-19(18)23(25-22(20)27-26-21)29-12-7-4-8-13-29/h3,5-6,9-10H,2,4,7-8,11-16H2,1H3,(H2,24,25,26,27)
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AMRI

Curated by ChEMBL


Assay Description
Agonist activity at rat BRS3 expressed in HEK293AEQ cells after 10 mins by aequorin bioluminescence assay


Bioorg Med Chem Lett 20: 2785-9 (2010)

More data for this
Ligand-Target Pair
Bombesin


(RAT)
BDBM50317476
PNG
(7-benzyl-5-(4-fluoropiperidin-1-yl)-6,7,8,9-tetrah...)
Show SMILES Nc1n[nH]c2nc(N3CCC(F)CC3)c3CN(Cc4ccccc4)CCc3c12
Show InChI InChI=1S/C21H25FN6/c22-15-6-10-28(11-7-15)21-17-13-27(12-14-4-2-1-3-5-14)9-8-16(17)18-19(23)25-26-20(18)24-21/h1-5,15H,6-13H2,(H3,23,24,25,26)
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AMRI

Curated by ChEMBL


Assay Description
Agonist activity at rat BRS3 expressed in HEK293AEQ cells after 10 mins by aequorin bioluminescence assay


Bioorg Med Chem Lett 20: 2785-9 (2010)

More data for this
Ligand-Target Pair
Bombesin


(RAT)
BDBM50317445
PNG
(7-benzyl-N-neopentyl-5-(piperidin-1-yl)-6,7,8,9-te...)
Show SMILES CC(C)(C)CNc1n[nH]c2nc(N3CCCCC3)c3CN(Cc4ccccc4)CCc3c12
Show InChI InChI=1S/C26H36N6/c1-26(2,3)18-27-23-22-20-12-15-31(16-19-10-6-4-7-11-19)17-21(20)25(28-24(22)30-29-23)32-13-8-5-9-14-32/h4,6-7,10-11H,5,8-9,12-18H2,1-3H3,(H2,27,28,29,30)
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AMRI

Curated by ChEMBL


Assay Description
Agonist activity at rat BRS3 expressed in HEK293AEQ cells after 10 mins by aequorin bioluminescence assay


Bioorg Med Chem Lett 20: 2785-9 (2010)

More data for this
Ligand-Target Pair
Bombesin


(RAT)
BDBM50317443
PNG
(1-(1-amino-7-benzyl-5-(piperidin-1-yl)-6,7,8,9-tet...)
Show SMILES CC(=O)n1nc(N)c2c3CCN(Cc4ccccc4)Cc3c(nc12)N1CCCCC1
Show InChI InChI=1S/C23H28N6O/c1-16(30)29-23-20(21(24)26-29)18-10-13-27(14-17-8-4-2-5-9-17)15-19(18)22(25-23)28-11-6-3-7-12-28/h2,4-5,8-9H,3,6-7,10-15H2,1H3,(H2,24,26)
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n/an/an/an/a 759n/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Agonist activity at rat BRS3 expressed in HEK293AEQ cells after 10 mins by aequorin bioluminescence assay


Bioorg Med Chem Lett 20: 2785-9 (2010)

More data for this
Ligand-Target Pair
Bombesin


(RAT)
BDBM50317477
PNG
(7-benzyl-5-(4-methylpiperidin-1-yl)-6,7,8,9-tetrah...)
Show SMILES CC1CCN(CC1)c1nc2[nH]nc(N)c2c2CCN(Cc3ccccc3)Cc12
Show InChI InChI=1S/C22H28N6/c1-15-7-11-28(12-8-15)22-18-14-27(13-16-5-3-2-4-6-16)10-9-17(18)19-20(23)25-26-21(19)24-22/h2-6,15H,7-14H2,1H3,(H3,23,24,25,26)
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n/an/an/an/a 854n/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Agonist activity at rat BRS3 expressed in HEK293AEQ cells after 10 mins by aequorin bioluminescence assay


Bioorg Med Chem Lett 20: 2785-9 (2010)

More data for this
Ligand-Target Pair
Bombesin


(RAT)
BDBM50317449
PNG
(7-benzyl-5-(pyrrolidin-1-yl)-6,7,8,9-tetrahydro-3H...)
Show SMILES Nc1n[nH]c2nc(N3CCCC3)c3CN(Cc4ccccc4)CCc3c12
Show InChI InChI=1S/C20H24N6/c21-18-17-15-8-11-25(12-14-6-2-1-3-7-14)13-16(15)20(22-19(17)24-23-18)26-9-4-5-10-26/h1-3,6-7H,4-5,8-13H2,(H3,21,22,23,24)
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n/an/an/an/a 965n/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Agonist activity at rat BRS3 expressed in HEK293AEQ cells after 10 mins by aequorin bioluminescence assay


Bioorg Med Chem Lett 20: 2785-9 (2010)

More data for this
Ligand-Target Pair
Bombesin


(RAT)
BDBM50317459
PNG
(7-neopentyl-5-(piperidin-1-yl)-6,7,8,9-tetrahydro-...)
Show SMILES CC(C)(C)CN1CCc2c(C1)c(nc1[nH]nc(N)c21)N1CCCCC1
Show InChI InChI=1S/C19H30N6/c1-19(2,3)12-24-10-7-13-14(11-24)18(25-8-5-4-6-9-25)21-17-15(13)16(20)22-23-17/h4-12H2,1-3H3,(H3,20,21,22,23)
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n/an/an/an/a 1.06E+3n/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Agonist activity at rat BRS3 expressed in HEK293AEQ cells after 10 mins by aequorin bioluminescence assay


Bioorg Med Chem Lett 20: 2785-9 (2010)

More data for this
Ligand-Target Pair
Bombesin


(RAT)
BDBM50317450
PNG
(5-(azepan-1-yl)-7-benzyl-6,7,8,9-tetrahydro-3H-pyr...)
Show SMILES Nc1n[nH]c2nc(N3CCCCCC3)c3CN(Cc4ccccc4)CCc3c12
Show InChI InChI=1S/C22H28N6/c23-20-19-17-10-13-27(14-16-8-4-3-5-9-16)15-18(17)22(24-21(19)26-25-20)28-11-6-1-2-7-12-28/h3-5,8-9H,1-2,6-7,10-15H2,(H3,23,24,25,26)
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n/an/an/an/a 1.44E+3n/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Agonist activity at rat BRS3 expressed in HEK293AEQ cells after 10 mins by aequorin bioluminescence assay


Bioorg Med Chem Lett 20: 2785-9 (2010)

More data for this
Ligand-Target Pair
Bombesin


(RAT)
BDBM50317475
PNG
(7-benzyl-5-morpholino-6,7,8,9-tetrahydro-3H-pyrazo...)
Show SMILES Nc1n[nH]c2nc(N3CCOCC3)c3CN(Cc4ccccc4)CCc3c12
Show InChI InChI=1S/C20H24N6O/c21-18-17-15-6-7-25(12-14-4-2-1-3-5-14)13-16(15)20(22-19(17)24-23-18)26-8-10-27-11-9-26/h1-5H,6-13H2,(H3,21,22,23,24)
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n/an/an/an/a 3.56E+3n/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Agonist activity at rat BRS3 expressed in HEK293AEQ cells after 10 mins by aequorin bioluminescence assay


Bioorg Med Chem Lett 20: 2785-9 (2010)

More data for this
Ligand-Target Pair
Bombesin


(RAT)
BDBM50415868
PNG
(CHEMBL1199153)
Show SMILES Nc1n[nH]c2nc(N3CCCCC3)c3CN(Cc4ccc(F)cc4)CCc3c12
Show InChI InChI=1S/C21H25FN6/c22-15-6-4-14(5-7-15)12-27-11-8-16-17(13-27)21(28-9-2-1-3-10-28)24-20-18(16)19(23)25-26-20/h4-7H,1-3,8-13H2,(H3,23,24,25,26)
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n/an/an/an/a 3.86E+3n/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Agonist activity at rat BRS3 expressed in HEK293AEQ cells after 10 mins by aequorin bioluminescence assay


Bioorg Med Chem Lett 20: 2785-9 (2010)

More data for this
Ligand-Target Pair
Bombesin


(RAT)
BDBM50317444
PNG
(7-benzyl-3-methyl-5-(piperidin-1-yl)-6,7,8,9-tetra...)
Show SMILES Cn1nc(N)c2c3CCN(Cc4ccccc4)Cc3c(nc12)N1CCCCC1
Show InChI InChI=1S/C22H28N6/c1-26-22-19(20(23)25-26)17-10-13-27(14-16-8-4-2-5-9-16)15-18(17)21(24-22)28-11-6-3-7-12-28/h2,4-5,8-9H,3,6-7,10-15H2,1H3,(H2,23,25)
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n/an/an/an/a 6.06E+3n/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Agonist activity at rat BRS3 expressed in HEK293AEQ cells after 10 mins by aequorin bioluminescence assay


Bioorg Med Chem Lett 20: 2785-9 (2010)

More data for this
Ligand-Target Pair
Bombesin


(RAT)
BDBM50317471
PNG
(7-benzyl-N5-isopropyl-6,7,8,9-tetrahydro-3H-pyrazo...)
Show SMILES CC(C)Nc1nc2[nH]nc(N)c2c2CCN(Cc3ccccc3)Cc12
Show InChI InChI=1S/C19H24N6/c1-12(2)21-18-15-11-25(10-13-6-4-3-5-7-13)9-8-14(15)16-17(20)23-24-19(16)22-18/h3-7,12H,8-11H2,1-2H3,(H4,20,21,22,23,24)
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n/an/an/an/a 7.65E+3n/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Agonist activity at rat BRS3 expressed in HEK293AEQ cells after 10 mins by aequorin bioluminescence assay


Bioorg Med Chem Lett 20: 2785-9 (2010)

More data for this
Ligand-Target Pair
Bombesin


(RAT)
BDBM50317458
PNG
(7-phenethyl-5-(piperidin-1-yl)-6,7,8,9-tetrahydro-...)
Show SMILES Nc1n[nH]c2nc(N3CCCCC3)c3CN(CCc4ccccc4)CCc3c12
Show InChI InChI=1S/C22H28N6/c23-20-19-17-10-14-27(13-9-16-7-3-1-4-8-16)15-18(17)22(24-21(19)26-25-20)28-11-5-2-6-12-28/h1,3-4,7-8H,2,5-6,9-15H2,(H3,23,24,25,26)
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n/an/an/an/a 7.91E+3n/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Agonist activity at rat BRS3 expressed in HEK293AEQ cells after 10 mins by aequorin bioluminescence assay


Bioorg Med Chem Lett 20: 2785-9 (2010)

More data for this
Ligand-Target Pair
Bombesin


(RAT)
BDBM50317472
PNG
(7-benzyl-N5,N5-dimethyl-6,7,8,9-tetrahydro-3H-pyra...)
Show SMILES CN(C)c1nc2[nH]nc(N)c2c2CCN(Cc3ccccc3)Cc12
Show InChI InChI=1S/C18H22N6/c1-23(2)18-14-11-24(10-12-6-4-3-5-7-12)9-8-13(14)15-16(19)21-22-17(15)20-18/h3-7H,8-11H2,1-2H3,(H3,19,20,21,22)
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n/an/an/an/a 8.95E+3n/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Agonist activity at rat BRS3 expressed in HEK293AEQ cells after 10 mins by aequorin bioluminescence assay


Bioorg Med Chem Lett 20: 2785-9 (2010)

More data for this
Ligand-Target Pair
Bombesin


(RAT)
BDBM50317470
PNG
(7-benzyl-N5-cyclohexyl-6,7,8,9-tetrahydro-3H-pyraz...)
Show SMILES Nc1n[nH]c2nc(NC3CCCCC3)c3CN(Cc4ccccc4)CCc3c12
Show InChI InChI=1S/C22H28N6/c23-20-19-17-11-12-28(13-15-7-3-1-4-8-15)14-18(17)21(25-22(19)27-26-20)24-16-9-5-2-6-10-16/h1,3-4,7-8,16H,2,5-6,9-14H2,(H4,23,24,25,26,27)
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n/an/an/an/a 1.00E+4n/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Agonist activity at rat BRS3 expressed in HEK293AEQ cells after 10 mins by aequorin bioluminescence assay


Bioorg Med Chem Lett 20: 2785-9 (2010)

More data for this
Ligand-Target Pair
Bombesin


(RAT)
BDBM50317473
PNG
(7-benzyl-5-(4-methylpiperazin-1-yl)-6,7,8,9-tetrah...)
Show SMILES CN1CCN(CC1)c1nc2[nH]nc(N)c2c2CCN(Cc3ccccc3)Cc12
Show InChI InChI=1S/C21H27N7/c1-26-9-11-28(12-10-26)21-17-14-27(13-15-5-3-2-4-6-15)8-7-16(17)18-19(22)24-25-20(18)23-21/h2-6H,7-14H2,1H3,(H3,22,23,24,25)
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n/an/an/an/a 1.00E+4n/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Agonist activity at rat BRS3 expressed in HEK293AEQ cells after 10 mins by aequorin bioluminescence assay


Bioorg Med Chem Lett 20: 2785-9 (2010)

More data for this
Ligand-Target Pair
Bombesin


(RAT)
BDBM50317474
PNG
(7-benzyl-5-(piperazin-1-yl)-6,7,8,9-tetrahydro-3H-...)
Show SMILES Nc1n[nH]c2nc(N3CCNCC3)c3CN(Cc4ccccc4)CCc3c12
Show InChI InChI=1S/C20H25N7/c21-18-17-15-6-9-26(12-14-4-2-1-3-5-14)13-16(15)20(23-19(17)25-24-18)27-10-7-22-8-11-27/h1-5,22H,6-13H2,(H3,21,23,24,25)
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n/an/an/an/a 1.00E+4n/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Agonist activity at rat BRS3 expressed in HEK293AEQ cells after 10 mins by aequorin bioluminescence assay


Bioorg Med Chem Lett 20: 2785-9 (2010)

More data for this
Ligand-Target Pair
Bombesin


(RAT)
BDBM50317460
PNG
(7-isobutyl-5-(piperidin-1-yl)-6,7,8,9-tetrahydro-3...)
Show SMILES CC(C)CN1CCc2c(C1)c(nc1[nH]nc(N)c21)N1CCCCC1
Show InChI InChI=1S/C18H28N6/c1-12(2)10-23-9-6-13-14(11-23)18(24-7-4-3-5-8-24)20-17-15(13)16(19)21-22-17/h12H,3-11H2,1-2H3,(H3,19,20,21,22)
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n/an/an/an/a 1.00E+4n/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Agonist activity at rat BRS3 expressed in HEK293AEQ cells after 10 mins by aequorin bioluminescence assay


Bioorg Med Chem Lett 20: 2785-9 (2010)

More data for this
Ligand-Target Pair
Bombesin


(RAT)
BDBM50317457
PNG
(7-(4-Fluorobenzoyl)-5-(piperidin-1-yl)-6,7,8,9-tet...)
Show SMILES Nc1n[nH]c2nc(N3CCCCC3)c3CN(CCc3c12)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C21H23FN6O/c22-14-6-4-13(5-7-14)21(29)28-11-8-15-16(12-28)20(27-9-2-1-3-10-27)24-19-17(15)18(23)25-26-19/h4-7H,1-3,8-12H2,(H3,23,24,25,26)
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n/an/an/an/a>1.00E+4n/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Agonist activity at rat BRS3 expressed in HEK293AEQ cells after 10 mins by aequorin bioluminescence assay


Bioorg Med Chem Lett 20: 2785-9 (2010)

More data for this
Ligand-Target Pair
Bombesin


(RAT)
BDBM50317478
PNG
(5-(azocan-1-yl)-7-benzyl-6,7,8,9-tetrahydro-3H-pyr...)
Show SMILES Nc1n[nH]c2nc(N3CCCCCCC3)c3CN(Cc4ccccc4)CCc3c12
Show InChI InChI=1S/C23H30N6/c24-21-20-18-11-14-28(15-17-9-5-4-6-10-17)16-19(18)23(25-22(20)27-26-21)29-12-7-2-1-3-8-13-29/h4-6,9-10H,1-3,7-8,11-16H2,(H3,24,25,26,27)
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n/an/an/an/a 1.00E+4n/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Agonist activity at rat BRS3 expressed in HEK293AEQ cells after 10 mins by aequorin bioluminescence assay


Bioorg Med Chem Lett 20: 2785-9 (2010)

More data for this
Ligand-Target Pair
Bombesin


(RAT)
BDBM50317469
PNG
(7-benzyl-N5-phenyl-6,7,8,9-tetrahydro-3H-pyrazolo[...)
Show SMILES Nc1n[nH]c2nc(Nc3ccccc3)c3CN(Cc4ccccc4)CCc3c12
Show InChI InChI=1S/C22H22N6/c23-20-19-17-11-12-28(13-15-7-3-1-4-8-15)14-18(17)21(25-22(19)27-26-20)24-16-9-5-2-6-10-16/h1-10H,11-14H2,(H4,23,24,25,26,27)
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n/an/an/an/a 1.00E+4n/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Agonist activity at rat BRS3 expressed in HEK293AEQ cells after 10 mins by aequorin bioluminescence assay


Bioorg Med Chem Lett 20: 2785-9 (2010)

More data for this
Ligand-Target Pair
Bombesin


(RAT)
BDBM50378777
PNG
(CHEMBL1204083)
Show SMILES Nc1n[nH]c2nc(N3CCCCC3)c3CNCCc3c12
Show InChI InChI=1S/C14H20N6/c15-12-11-9-4-5-16-8-10(9)14(17-13(11)19-18-12)20-6-2-1-3-7-20/h16H,1-8H2,(H3,15,17,18,19)
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n/an/an/an/a>1.00E+4n/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Agonist activity at rat BRS3 expressed in HEK293AEQ cells after 10 mins by aequorin bioluminescence assay


Bioorg Med Chem Lett 20: 2785-9 (2010)

More data for this
Ligand-Target Pair
Bombesin


(RAT)
BDBM50317464
PNG
(7-(4-methoxybenzyl)-5-(piperidin-1-yl)-6,7,8,9-tet...)
Show SMILES COc1ccc(CN2CCc3c(C2)c(nc2[nH]nc(N)c32)N2CCCCC2)cc1
Show InChI InChI=1S/C22H28N6O/c1-29-16-7-5-15(6-8-16)13-27-12-9-17-18(14-27)22(28-10-3-2-4-11-28)24-21-19(17)20(23)25-26-21/h5-8H,2-4,9-14H2,1H3,(H3,23,24,25,26)
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n/an/an/an/a 1.00E+4n/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Agonist activity at rat BRS3 expressed in HEK293AEQ cells after 10 mins by aequorin bioluminescence assay


Bioorg Med Chem Lett 20: 2785-9 (2010)

More data for this
Ligand-Target Pair
Bombesin


(RAT)
BDBM50317463
PNG
(5-(piperidin-1-yl)-7-(3-(trifluoromethyl)benzyl)-6...)
Show SMILES Nc1n[nH]c2nc(N3CCCCC3)c3CN(Cc4cccc(c4)C(F)(F)F)CCc3c12
Show InChI InChI=1S/C22H25F3N6/c23-22(24,25)15-6-4-5-14(11-15)12-30-10-7-16-17(13-30)21(31-8-2-1-3-9-31)27-20-18(16)19(26)28-29-20/h4-6,11H,1-3,7-10,12-13H2,(H3,26,27,28,29)
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n/an/an/an/a 1.00E+4n/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Agonist activity at rat BRS3 expressed in HEK293AEQ cells after 10 mins by aequorin bioluminescence assay


Bioorg Med Chem Lett 20: 2785-9 (2010)

More data for this
Ligand-Target Pair
Bombesin


(RAT)
BDBM50317461
PNG
(7-(cyclohexylmethyl)-5-(piperidin-1-yl)-6,7,8,9-te...)
Show SMILES Nc1n[nH]c2nc(N3CCCCC3)c3CN(CC4CCCCC4)CCc3c12
Show InChI InChI=1S/C21H32N6/c22-19-18-16-9-12-26(13-15-7-3-1-4-8-15)14-17(16)21(23-20(18)25-24-19)27-10-5-2-6-11-27/h15H,1-14H2,(H3,22,23,24,25)
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n/an/an/an/a 1.00E+4n/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Agonist activity at rat BRS3 expressed in HEK293AEQ cells after 10 mins by aequorin bioluminescence assay


Bioorg Med Chem Lett 20: 2785-9 (2010)

More data for this
Ligand-Target Pair