BDBM50336889 (2S)-1,1,1-trifluoro-2-[4-(1H-pyrazol-1-yl)phenyl]-3-(4-{[1-(trifluoromethyl)cyclopropyl]methyl}-1H-imidazol-2-yl)propan-2-ol::CHEMBL1672354
SMILES: O[C@@](Cc1ncc(CC2(CC2)C(F)(F)F)[nH]1)(c1ccc(cc1)-n1cccn1)C(F)(F)F
InChI Key: InChIKey=UJINBEQCDMOAHM-SFHVURJKSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Bombesin (RAT) | BDBM50336889 ((2S)-1,1,1-trifluoro-2-[4-(1H-pyrazol-1-yl)phenyl]...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 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 (RAT) | BDBM50336889 ((2S)-1,1,1-trifluoro-2-[4-(1H-pyrazol-1-yl)phenyl]...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 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]...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 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 | |||||||||||||
BRS3 (Homo sapiens (Human)) | BDBM50336889 ((2S)-1,1,1-trifluoro-2-[4-(1H-pyrazol-1-yl)phenyl]...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 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)) | BDBM50336889 ((2S)-1,1,1-trifluoro-2-[4-(1H-pyrazol-1-yl)phenyl]...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >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 (Mus musculus) | BDBM50336889 ((2S)-1,1,1-trifluoro-2-[4-(1H-pyrazol-1-yl)phenyl]...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 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 | |||||||||||||
BRS3 (Homo sapiens (Human)) | BDBM50336889 ((2S)-1,1,1-trifluoro-2-[4-(1H-pyrazol-1-yl)phenyl]...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 14 | 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 (Mus musculus) | BDBM50336889 ((2S)-1,1,1-trifluoro-2-[4-(1H-pyrazol-1-yl)phenyl]...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 21 | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd Curated by ChEMBL | Assay Description Agonist activity at mouse BRS3 expressed in CHO-K1 cells by IP-One HTRF assay | Bioorg Med Chem 23: 89-104 (2014) Article DOI: 10.1016/j.bmc.2014.11.018 BindingDB Entry DOI: 10.7270/Q2VT1TPX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bombesin (RAT) | BDBM50336889 ((2S)-1,1,1-trifluoro-2-[4-(1H-pyrazol-1-yl)phenyl]...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 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]...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 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 | |||||||||||||
BRS3 (Homo sapiens (Human)) | BDBM50336889 ((2S)-1,1,1-trifluoro-2-[4-(1H-pyrazol-1-yl)phenyl]...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 14 | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd Curated by ChEMBL | Assay Description Agonist activity at human BRS3 expressed in CHO-K1 cells by IP-One HTRF assay | Bioorg Med Chem 23: 89-104 (2014) Article DOI: 10.1016/j.bmc.2014.11.018 BindingDB Entry DOI: 10.7270/Q2VT1TPX | |||||||||||
More data for this Ligand-Target Pair |