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BDBM165786 US9067922, 121

SMILES: CC(C)COc1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ccc(F)cn2)cn1

InChI Key: InChIKey=GASNAQJMUMVFAC-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 165786   
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
Solute carrier family 22 member 12


(Homo sapiens (Human))
BDBM165786
PNG
(US9067922, 121)
Show SMILES CC(C)COc1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ccc(F)cn2)cn1
Show InChI InChI=1S/C21H19FN4O4S/c1-14(2)13-29-21-8-4-17(12-25-21)30-19-6-5-18(9-15(19)10-23)31(27,28)26-20-7-3-16(22)11-24-20/h3-9,11-12,14H,13H2,1-2H3,(H,24,26)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a>1.00E+4n/an/an/an/a7.4n/a



Pfizer Inc

US Patent


Assay Description
Assay compound plates were prepared by diluting the compounds of formula (I) with chloride-free buffer (125 mM Na-gluconate, 4.8 mM K-gluconate, 1.3 ...


US Patent US9067922 (2015)


BindingDB Entry DOI: 10.7270/Q2VQ31F0
More data for this
Ligand-Target Pair