Found 28 hits Enz. Inhib. hit(s) with all data for entry = 50032955 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Bombesin receptor subtype-3
(RAT) | BDBM50336889
((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 |r| 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 | KEGG
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| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]Bag-3 from rat BRS-3 |
ACS Med Chem Lett 2: 43-47 (2011)
Article DOI: 10.1021/ml100196d
BindingDB Entry DOI: 10.7270/Q26D5T81 |
More data for this
Ligand-Target Pair | |
Bombesin receptor subtype-3
(RAT) | BDBM50336889
((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 |r| 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 | KEGG
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| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]Bag-3 from rat BRS-3 |
ACS Med Chem Lett 2: 43-47 (2011)
Article DOI: 10.1021/ml100196d
BindingDB Entry DOI: 10.7270/Q26D5T81 |
More data for this
Ligand-Target Pair | |
Bombesin receptor subtype-3
(Mus musculus) | BDBM50336889
((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 |r| 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 | KEGG
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| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]Bag-3 from mouse BRS-3 |
ACS Med Chem Lett 2: 43-47 (2011)
Article DOI: 10.1021/ml100196d
BindingDB Entry DOI: 10.7270/Q26D5T81 |
More data for this
Ligand-Target Pair | |
Bombesin receptor subtype-3
(Homo sapiens (Human)) | BDBM50336889
((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 |r| 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 | Reactome pathway
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| 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[D-Tyr6,beta-Ala11,Phe13,Nle14]-Bombesin (6-14) from human BRS-3 |
ACS Med Chem Lett 2: 43-47 (2011)
Article DOI: 10.1021/ml100196d
BindingDB Entry DOI: 10.7270/Q26D5T81 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50336886
(1-[4-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-[4-(...)Show SMILES CC(C)(C)Cc1cnc(CC(C)(O)c2ccc(cc2)-c2ccc(F)cn2)[nH]1 Show InChI InChI=1S/C22H26FN3O/c1-21(2,3)11-18-14-25-20(26-18)12-22(4,27)16-7-5-15(6-8-16)19-10-9-17(23)13-24-19/h5-10,13-14,27H,11-12H2,1-4H3,(H,25,26) | PDB
MMDB
Reactome pathway
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| 4.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to human ERG |
ACS Med Chem Lett 2: 43-47 (2011)
Article DOI: 10.1021/ml100196d
BindingDB Entry DOI: 10.7270/Q26D5T81 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50336885
(2-[4-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-1-[4-(...)Show SMILES CC(C)(C)Cc1cnc([nH]1)C(C)(O)Cc1ccc(cc1)-c1ccc(F)cn1 Show InChI InChI=1S/C22H26FN3O/c1-21(2,3)12-18-14-25-20(26-18)22(4,27)11-15-5-7-16(8-6-15)19-10-9-17(23)13-24-19/h5-10,13-14,27H,11-12H2,1-4H3,(H,25,26) | PDB
MMDB
Reactome pathway
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| 5.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to human ERG |
ACS Med Chem Lett 2: 43-47 (2011)
Article DOI: 10.1021/ml100196d
BindingDB Entry DOI: 10.7270/Q26D5T81 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50336889
((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 |r| 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 | PDB
MMDB
Reactome pathway
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| >8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to human ERG |
ACS Med Chem Lett 2: 43-47 (2011)
Article DOI: 10.1021/ml100196d
BindingDB Entry DOI: 10.7270/Q26D5T81 |
More data for this
Ligand-Target Pair | |
Bombesin receptor subtype-3
(Homo sapiens (Human)) | BDBM50336887
(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) | Reactome pathway
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[D-Tyr6,beta-Ala11,Phe13,Nle14]-Bombesin (6-14) from human BRS-3 |
ACS Med Chem Lett 2: 43-47 (2011)
Article DOI: 10.1021/ml100196d
BindingDB Entry DOI: 10.7270/Q26D5T81 |
More data for this
Ligand-Target Pair | |
Bombesin receptor subtype-3
(Mus musculus) | BDBM50336889
((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 |r| 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 | KEGG
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| n/a | n/a | 5.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]Bag-3 from mouse BRS-3 |
ACS Med Chem Lett 2: 43-47 (2011)
Article DOI: 10.1021/ml100196d
BindingDB Entry DOI: 10.7270/Q26D5T81 |
More data for this
Ligand-Target Pair | |
Bombesin receptor subtype-3
(Homo sapiens (Human)) | BDBM50336888
(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) | Reactome pathway
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| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[D-Tyr6,beta-Ala11,Phe13,Nle14]-Bombesin (6-14) from human BRS-3 |
ACS Med Chem Lett 2: 43-47 (2011)
Article DOI: 10.1021/ml100196d
BindingDB Entry DOI: 10.7270/Q26D5T81 |
More data for this
Ligand-Target Pair | |
Bombesin receptor subtype-3
(Homo sapiens (Human)) | BDBM50314976
(2-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)et...)Show SMILES CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2ccc(F)cn2)[nH]1 Show InChI InChI=1S/C22H26FN3/c1-4-22(2,3)13-19-15-25-21(26-19)12-7-16-5-8-17(9-6-16)20-11-10-18(23)14-24-20/h5-6,8-11,14-15H,4,7,12-13H2,1-3H3,(H,25,26) | Reactome pathway
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| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[D-Tyr6,beta-Ala11,Phe13,Nle14]-Bombesin (6-14) from human BRS-3 |
ACS Med Chem Lett 2: 43-47 (2011)
Article DOI: 10.1021/ml100196d
BindingDB Entry DOI: 10.7270/Q26D5T81 |
More data for this
Ligand-Target Pair | |
Bombesin receptor subtype-3
(Homo sapiens (Human)) | BDBM50336886
(1-[4-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-[4-(...)Show SMILES CC(C)(C)Cc1cnc(CC(C)(O)c2ccc(cc2)-c2ccc(F)cn2)[nH]1 Show InChI InChI=1S/C22H26FN3O/c1-21(2,3)11-18-14-25-20(26-18)12-22(4,27)16-7-5-15(6-8-16)19-10-9-17(23)13-24-19/h5-10,13-14,27H,11-12H2,1-4H3,(H,25,26) | Reactome pathway
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| Article
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| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[D-Tyr6,beta-Ala11,Phe13,Nle14]-Bombesin (6-14) from human BRS-3 |
ACS Med Chem Lett 2: 43-47 (2011)
Article DOI: 10.1021/ml100196d
BindingDB Entry DOI: 10.7270/Q26D5T81 |
More data for this
Ligand-Target Pair | |
Bombesin receptor subtype-3
(Homo sapiens (Human)) | BDBM50336885
(2-[4-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-1-[4-(...)Show SMILES CC(C)(C)Cc1cnc([nH]1)C(C)(O)Cc1ccc(cc1)-c1ccc(F)cn1 Show InChI InChI=1S/C22H26FN3O/c1-21(2,3)12-18-14-25-20(26-18)22(4,27)11-15-5-7-16(8-6-15)19-10-9-17(23)13-24-19/h5-10,13-14,27H,11-12H2,1-4H3,(H,25,26) | Reactome pathway
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| n/a | n/a | 82 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[D-Tyr6,beta-Ala11,Phe13,Nle14]-Bombesin (6-14) from human BRS-3 |
ACS Med Chem Lett 2: 43-47 (2011)
Article DOI: 10.1021/ml100196d
BindingDB Entry DOI: 10.7270/Q26D5T81 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50314969
(2-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)et...)Show SMILES CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2ccccn2)[nH]1 Show InChI InChI=1S/C22H27N3/c1-4-22(2,3)15-19-16-24-21(25-19)13-10-17-8-11-18(12-9-17)20-7-5-6-14-23-20/h5-9,11-12,14,16H,4,10,13,15H2,1-3H3,(H,24,25) | PDB
MMDB
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| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
ACS Med Chem Lett 2: 43-47 (2011)
Article DOI: 10.1021/ml100196d
BindingDB Entry DOI: 10.7270/Q26D5T81 |
More data for this
Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50314969
(2-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)et...)Show SMILES CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2ccccn2)[nH]1 Show InChI InChI=1S/C22H27N3/c1-4-22(2,3)15-19-16-24-21(25-19)13-10-17-8-11-18(12-9-17)20-7-5-6-14-23-20/h5-9,11-12,14,16H,4,10,13,15H2,1-3H3,(H,24,25) | PDB
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| n/a | n/a | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Activation of human PXR |
ACS Med Chem Lett 2: 43-47 (2011)
Article DOI: 10.1021/ml100196d
BindingDB Entry DOI: 10.7270/Q26D5T81 |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide receptor
(Homo sapiens (Human)) | BDBM50336886
(1-[4-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-[4-(...)Show SMILES CC(C)(C)Cc1cnc(CC(C)(O)c2ccc(cc2)-c2ccc(F)cn2)[nH]1 Show InChI InChI=1S/C22H26FN3O/c1-21(2,3)11-18-14-25-20(26-18)12-22(4,27)16-7-5-15(6-8-16)19-10-9-17(23)13-24-19/h5-10,13-14,27H,11-12H2,1-4H3,(H,25,26) | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human GRPR |
ACS Med Chem Lett 2: 43-47 (2011)
Article DOI: 10.1021/ml100196d
BindingDB Entry DOI: 10.7270/Q26D5T81 |
More data for this
Ligand-Target Pair | |
Neuromedin-B receptor
(Homo sapiens (Human)) | BDBM50336886
(1-[4-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-[4-(...)Show SMILES CC(C)(C)Cc1cnc(CC(C)(O)c2ccc(cc2)-c2ccc(F)cn2)[nH]1 Show InChI InChI=1S/C22H26FN3O/c1-21(2,3)11-18-14-25-20(26-18)12-22(4,27)16-7-5-15(6-8-16)19-10-9-17(23)13-24-19/h5-10,13-14,27H,11-12H2,1-4H3,(H,25,26) | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human NMBR |
ACS Med Chem Lett 2: 43-47 (2011)
Article DOI: 10.1021/ml100196d
BindingDB Entry DOI: 10.7270/Q26D5T81 |
More data for this
Ligand-Target Pair | |
Bombesin receptor subtype-3
(Homo sapiens (Human)) | BDBM50336887
(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) | Reactome pathway
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| n/a | n/a | n/a | n/a | 16 | n/a | n/a | n/a | n/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)
Article DOI: 10.1021/ml100196d
BindingDB Entry DOI: 10.7270/Q26D5T81 |
More data for this
Ligand-Target Pair | |
Bombesin receptor subtype-3
(Homo sapiens (Human)) | BDBM50336888
(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) | Reactome pathway
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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)
Article DOI: 10.1021/ml100196d
BindingDB Entry DOI: 10.7270/Q26D5T81 |
More data for this
Ligand-Target Pair | |
Bombesin receptor subtype-3
(Homo sapiens (Human)) | BDBM50336889
((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 |r| 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 | Reactome pathway
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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)
Article DOI: 10.1021/ml100196d
BindingDB Entry DOI: 10.7270/Q26D5T81 |
More data for this
Ligand-Target Pair | |
Bombesin receptor subtype-3
(Homo sapiens (Human)) | BDBM50314976
(2-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)et...)Show SMILES CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2ccc(F)cn2)[nH]1 Show InChI InChI=1S/C22H26FN3/c1-4-22(2,3)13-19-15-25-21(26-19)12-7-16-5-8-17(9-6-16)20-11-10-18(23)14-24-20/h5-6,8-11,14-15H,4,7,12-13H2,1-3H3,(H,25,26) | Reactome pathway
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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)
Article DOI: 10.1021/ml100196d
BindingDB Entry DOI: 10.7270/Q26D5T81 |
More data for this
Ligand-Target Pair | |
Bombesin receptor subtype-3
(Homo sapiens (Human)) | BDBM50314969
(2-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)et...)Show SMILES CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2ccccn2)[nH]1 Show InChI InChI=1S/C22H27N3/c1-4-22(2,3)15-19-16-24-21(25-19)13-10-17-8-11-18(12-9-17)20-7-5-6-14-23-20/h5-9,11-12,14,16H,4,10,13,15H2,1-3H3,(H,24,25) | Reactome pathway
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| n/a | n/a | n/a | n/a | 47 | n/a | n/a | n/a | n/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)
Article DOI: 10.1021/ml100196d
BindingDB Entry DOI: 10.7270/Q26D5T81 |
More data for this
Ligand-Target Pair | |
Bombesin receptor subtype-3
(Homo sapiens (Human)) | BDBM50336885
(2-[4-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-1-[4-(...)Show SMILES CC(C)(C)Cc1cnc([nH]1)C(C)(O)Cc1ccc(cc1)-c1ccc(F)cn1 Show InChI InChI=1S/C22H26FN3O/c1-21(2,3)12-18-14-25-20(26-18)22(4,27)11-15-5-7-16(8-6-15)19-10-9-17(23)13-24-19/h5-10,13-14,27H,11-12H2,1-4H3,(H,25,26) | Reactome pathway
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| n/a | n/a | n/a | n/a | 220 | n/a | n/a | n/a | n/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)
Article DOI: 10.1021/ml100196d
BindingDB Entry DOI: 10.7270/Q26D5T81 |
More data for this
Ligand-Target Pair | |
Bombesin receptor subtype-3
(RAT) | BDBM50336889
((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 |r| 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 | KEGG
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| n/a | n/a | n/a | n/a | 2.20 | n/a | n/a | n/a | n/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)
Article DOI: 10.1021/ml100196d
BindingDB Entry DOI: 10.7270/Q26D5T81 |
More data for this
Ligand-Target Pair | |
Bombesin receptor subtype-3
(Mus musculus) | BDBM50336889
((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 |r| 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 | KEGG
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| n/a | n/a | n/a | n/a | 21 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Agonist activity at mouse BRS-3 expressed in HEK293AEQ cells assessed as induction of intracellular calcium mobilization by aequorin bioluminescence ... |
ACS Med Chem Lett 2: 43-47 (2011)
Article DOI: 10.1021/ml100196d
BindingDB Entry DOI: 10.7270/Q26D5T81 |
More data for this
Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50336886
(1-[4-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-[4-(...)Show SMILES CC(C)(C)Cc1cnc(CC(C)(O)c2ccc(cc2)-c2ccc(F)cn2)[nH]1 Show InChI InChI=1S/C22H26FN3O/c1-21(2,3)11-18-14-25-20(26-18)12-22(4,27)16-7-5-15(6-8-16)19-10-9-17(23)13-24-19/h5-10,13-14,27H,11-12H2,1-4H3,(H,25,26) | PDB
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| n/a | n/a | n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Activation of human PXR |
ACS Med Chem Lett 2: 43-47 (2011)
Article DOI: 10.1021/ml100196d
BindingDB Entry DOI: 10.7270/Q26D5T81 |
More data for this
Ligand-Target Pair | |
Bombesin receptor subtype-3
(Homo sapiens (Human)) | BDBM50336886
(1-[4-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-[4-(...)Show SMILES CC(C)(C)Cc1cnc(CC(C)(O)c2ccc(cc2)-c2ccc(F)cn2)[nH]1 Show InChI InChI=1S/C22H26FN3O/c1-21(2,3)11-18-14-25-20(26-18)12-22(4,27)16-7-5-15(6-8-16)19-10-9-17(23)13-24-19/h5-10,13-14,27H,11-12H2,1-4H3,(H,25,26) | Reactome pathway
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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)
Article DOI: 10.1021/ml100196d
BindingDB Entry DOI: 10.7270/Q26D5T81 |
More data for this
Ligand-Target Pair | |
Bombesin receptor subtype-3
(Homo sapiens (Human)) | BDBM50313710
(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) | Reactome pathway
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| n/a | n/a | n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/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)
Article DOI: 10.1021/ml100196d
BindingDB Entry DOI: 10.7270/Q26D5T81 |
More data for this
Ligand-Target Pair | |
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