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BDBM363905 US9856239, 16

SMILES: OC(=O)C1(CSc2ccncc2-c2ccc(C#N)c3ccccc23)CCCC1

InChI Key: InChIKey=UMWDRGCEPZOZEI-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 = 363905   
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))
BDBM363905
PNG
(US9856239, 16)
Show SMILES OC(=O)C1(CSc2ccncc2-c2ccc(C#N)c3ccccc23)CCCC1
Show InChI InChI=1S/C23H20N2O2S/c24-13-16-7-8-19(18-6-2-1-5-17(16)18)20-14-25-12-9-21(20)28-15-23(22(26)27)10-3-4-11-23/h1-2,5-9,12,14H,3-4,10-11,15H2,(H,26,27)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



InventisBio Shanghai Ltd.

US Patent


Assay Description
Human kidney embryonic cells HEK-293T were grown in a petri dish (diameter=10 cm) containing DMEM and 10% of bovine fetal serum culture solution, and...


US Patent US9856239 (2018)


BindingDB Entry DOI: 10.7270/Q2M047RG
More data for this
Ligand-Target Pair