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BDBM321548 US10183021, Compound I-373

SMILES: CN(Cc1nc(cs1)C(O)=O)c1nc(ncc1F)-c1cc(-c2ccon2)n(Cc2ccccc2F)n1

InChI Key: InChIKey=XPYADJFZRUJCAN-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 = 321548   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Guanylate cyclase soluble subunit alpha-1


(Homo sapiens (Human))
BDBM321548
PNG
(US10183021, Compound I-373)
Show SMILES CN(Cc1nc(cs1)C(O)=O)c1nc(ncc1F)-c1cc(-c2ccon2)n(Cc2ccccc2F)n1
Show InChI InChI=1S/C23H17F2N7O3S/c1-31(11-20-27-18(12-36-20)23(33)34)22-15(25)9-26-21(28-22)17-8-19(16-6-7-35-30-16)32(29-17)10-13-4-2-3-5-14(13)24/h2-9,12H,10-11H2,1H3,(H,33,34)
PDB

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US Patent
n/an/an/an/a 550n/an/an/an/a



Ironwood Pharmaceuticals, Inc.

US Patent


Assay Description
Human embryonic kidney cells (HEK293), endogenously expressing soluble guanylate cyclase (sGC), were used to evaluate the activity of test compounds....


US Patent US10183021 (2019)


BindingDB Entry DOI: 10.7270/Q2W95C98
More data for this
Ligand-Target Pair