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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Bombesin receptor subtype-3' and Ligand = 'BDBM50400245'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Bombesin receptor subtype-3


(Homo sapiens (Human))
BDBM50400245
PNG
(CHEMBL2179474)
Show SMILES Cc1ccc2Nc3nc(ccc3CN(c2c1C)S(=O)(=O)c1ccc(cc1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C22H17F6N3O2S/c1-12-3-9-17-19(13(12)2)31(11-14-4-10-18(22(26,27)28)30-20(14)29-17)34(32,33)16-7-5-15(6-8-16)21(23,24)25/h3-10H,11H2,1-2H3,(H,29,30)
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UniProtKB/SwissProt

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Article
PubMed
n/an/a 6.80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-[D-Tyr6,beta-Ala11,Phe13,Nle14]-Bombesin(6-14) from human BRS3 expressed in CHO cells expressing NFAT after 2 hrs by liquid sc...


ACS Med Chem Lett 2: 933-937 (2011)


Article DOI: 10.1021/ml200207w
BindingDB Entry DOI: 10.7270/Q25Q4X77
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Mus musculus)
BDBM50400245
PNG
(CHEMBL2179474)
Show SMILES Cc1ccc2Nc3nc(ccc3CN(c2c1C)S(=O)(=O)c1ccc(cc1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C22H17F6N3O2S/c1-12-3-9-17-19(13(12)2)31(11-14-4-10-18(22(26,27)28)30-20(14)29-17)34(32,33)16-7-5-15(6-8-16)21(23,24)25/h3-10H,11H2,1-2H3,(H,29,30)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 79n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at mouse BRS3 expressed in HEK293 cells expressing aequorin measured for 30 secs by bioluminescence assay


ACS Med Chem Lett 2: 933-937 (2011)


Article DOI: 10.1021/ml200207w
BindingDB Entry DOI: 10.7270/Q25Q4X77
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Homo sapiens (Human))
BDBM50400245
PNG
(CHEMBL2179474)
Show SMILES Cc1ccc2Nc3nc(ccc3CN(c2c1C)S(=O)(=O)c1ccc(cc1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C22H17F6N3O2S/c1-12-3-9-17-19(13(12)2)31(11-14-4-10-18(22(26,27)28)30-20(14)29-17)34(32,33)16-7-5-15(6-8-16)21(23,24)25/h3-10H,11H2,1-2H3,(H,29,30)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 154n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human BRS3 expressed in HEK293 cells expressing aequorin measured for 30 secs by bioluminescence assay


ACS Med Chem Lett 2: 933-937 (2011)


Article DOI: 10.1021/ml200207w
BindingDB Entry DOI: 10.7270/Q25Q4X77
More data for this
Ligand-Target Pair