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BDBM50434559 CHEMBL2386001

SMILES: C1O[B-](c2ccccc2)(c2ccccc2)[n+]2ccccc12

InChI Key: InChIKey=UWSCJSOSXINLMD-UHFFFAOYSA-N

Data: 2 IC50

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 2 hits for monomerid = 50434559   
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
Transient receptor potential cation channel subfamily V member 6


(Homo sapiens (Human))
BDBM50434559
PNG
(CHEMBL2386001)
Show SMILES C1O[B-](c2ccccc2)(c2ccccc2)[n+]2ccccc12
Show InChI InChI=1S/C18H16BNO/c1-3-9-16(10-4-1)19(17-11-5-2-6-12-17)20-14-8-7-13-18(20)15-21-19/h1-14H,15H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.49E+4n/an/an/an/an/an/a



University of Bern

Curated by ChEMBL


Assay Description
Inhibition of human TRPV6 transfected in HEK293 cells assessed as inhibition of Ca2+ influx after 5 mins by FLIPR assay


Bioorg Med Chem 21: 3202-13 (2013)


Article DOI: 10.1016/j.bmc.2013.03.037
BindingDB Entry DOI: 10.7270/Q2KK9D6T
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 6


(Homo sapiens (Human))
BDBM50434559
PNG
(CHEMBL2386001)
Show SMILES C1O[B-](c2ccccc2)(c2ccccc2)[n+]2ccccc12
Show InChI InChI=1S/C18H16BNO/c1-3-9-16(10-4-1)19(17-11-5-2-6-12-17)20-14-8-7-13-18(20)15-21-19/h1-14H,15H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.15E+4n/an/an/an/an/an/a



University of Bern

Curated by ChEMBL


Assay Description
Inhibition of human TRPV6 transfected in HEK293 cells assessed as inhibition of Cd2+ influx after 5 mins by FLIPR assay


Bioorg Med Chem 21: 3202-13 (2013)


Article DOI: 10.1016/j.bmc.2013.03.037
BindingDB Entry DOI: 10.7270/Q2KK9D6T
More data for this
Ligand-Target Pair