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BDBM50400239 CHEMBL2179480

SMILES: Cc1ccc2Nc3nc(ccc3CN(c2c1C)S(=O)(=O)c1ccc(s1)C(F)(F)F)C(F)(F)F

InChI Key: InChIKey=XVQFCORZELNGNH-UHFFFAOYSA-N

Data: 1 IC50  2 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 3 hits for monomerid = 50400239   
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
Bombesin receptor subtype-3


(Mus musculus)
BDBM50400239
PNG
(CHEMBL2179480)
Show SMILES Cc1ccc2Nc3nc(ccc3CN(c2c1C)S(=O)(=O)c1ccc(s1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H15F6N3O2S2/c1-10-3-5-13-17(11(10)2)29(33(30,31)16-8-7-15(32-16)20(24,25)26)9-12-4-6-14(19(21,22)23)28-18(12)27-13/h3-8H,9H2,1-2H3,(H,27,28)
KEGG

UniProtKB/SwissProt

GoogleScholar
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 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
BRS3


(Homo sapiens (Human))
BDBM50400239
PNG
(CHEMBL2179480)
Show SMILES Cc1ccc2Nc3nc(ccc3CN(c2c1C)S(=O)(=O)c1ccc(s1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H15F6N3O2S2/c1-10-3-5-13-17(11(10)2)29(33(30,31)16-8-7-15(32-16)20(24,25)26)9-12-4-6-14(19(21,22)23)28-18(12)27-13/h3-8H,9H2,1-2H3,(H,27,28)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 10n/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
BRS3


(Homo sapiens (Human))
BDBM50400239
PNG
(CHEMBL2179480)
Show SMILES Cc1ccc2Nc3nc(ccc3CN(c2c1C)S(=O)(=O)c1ccc(s1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H15F6N3O2S2/c1-10-3-5-13-17(11(10)2)29(33(30,31)16-8-7-15(32-16)20(24,25)26)9-12-4-6-14(19(21,22)23)28-18(12)27-13/h3-8H,9H2,1-2H3,(H,27,28)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 158n/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