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BDBM50447497 CHEMBL3115399

SMILES: Fc1ccc(Oc2cccc(CC(=O)N3CCNc4nc(ccc4C3)C(F)(F)F)c2)cc1

InChI Key: InChIKey=LTMUKLXKSTXPQW-UHFFFAOYSA-N

Data: 4 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50447497   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
BRS3


(Homo sapiens (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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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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)


Article DOI: 10.1016/j.bmc.2014.11.018
BindingDB Entry DOI: 10.7270/Q2VT1TPX
More data for this
Ligand-Target Pair
BRS3


(Homo sapiens (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)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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)


Article DOI: 10.1016/j.bmcl.2013.12.106
BindingDB Entry DOI: 10.7270/Q2J967WH
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Mus musculus)
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)
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.70n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2013.12.106
BindingDB Entry DOI: 10.7270/Q2J967WH
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Mus musculus)
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)
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.70n/an/an/an/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