BindingDB logo
myBDB logout

BDBM377539 US10266493, Example 2Y

SMILES: CCOc1ccc2cc(ccc2c1)-c1cnccc1SC(C)(C)C(O)=O

InChI Key: InChIKey=VNUINBVUHUUQEC-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 377539   
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))
BDBM377539
PNG
(US10266493, Example 2Y)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1cnccc1SC(C)(C)C(O)=O
Show InChI InChI=1S/C21H21NO3S/c1-4-25-17-8-7-14-11-16(6-5-15(14)12-17)18-13-22-10-9-19(18)26-21(2,3)20(23)24/h5-13H,4H2,1-3H3,(H,23,24)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 5.25E+3n/an/an/an/a



Ardea Biosciences, Inc.

US Patent


Assay Description
HEK293 human embryonic kidney cells (ATCC# CRL-1573) were propagated in EMEM tissue culture medium as described by ATCC in an atmosphere of 5% CO2 an...


US Patent US10266493 (2019)


BindingDB Entry DOI: 10.7270/Q22809XT
More data for this
Ligand-Target Pair