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BDBM165712 US9067922, 46

SMILES: CCc1ccccc1Oc1ccc(cc1C#N)S(=O)(=O)Nc1ccc(F)cn1

InChI Key: InChIKey=NEPMNJPNOJZGGK-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 165712   
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))
BDBM165712
PNG
(US9067922, 46)
Show SMILES CCc1ccccc1Oc1ccc(cc1C#N)S(=O)(=O)Nc1ccc(F)cn1
Show InChI InChI=1S/C20H16FN3O3S/c1-2-14-5-3-4-6-18(14)27-19-9-8-17(11-15(19)12-22)28(25,26)24-20-10-7-16(21)13-23-20/h3-11,13H,2H2,1H3,(H,23,24)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 107n/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