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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Guanylate cyclase soluble subunit alpha-1' and Ligand = 'BDBM323865'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Guanylate cyclase soluble subunit alpha-1


(Homo sapiens (Human))
BDBM323865
PNG
(US10189809, Compound I-137)
Show SMILES COc1ccc(cc1)C1=Nc2nc(ncc2C(C)(C)O1)-c1cc(-c2ccon2)n(Cc2ccccc2F)n1
Show InChI InChI=1S/C28H23FN6O3/c1-28(2)20-15-30-26(31-25(20)32-27(38-28)17-8-10-19(36-3)11-9-17)23-14-24(22-12-13-37-34-22)35(33-23)16-18-6-4-5-7-21(18)29/h4-15H,16H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 5.00E+4n/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 US10189809 (2019)

More data for this
Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1


(Homo sapiens (Human))
BDBM323865
PNG
(US10189809, Compound I-137)
Show SMILES COc1ccc(cc1)C1=Nc2nc(ncc2C(C)(C)O1)-c1cc(-c2ccon2)n(Cc2ccccc2F)n1
Show InChI InChI=1S/C28H23FN6O3/c1-28(2)20-15-30-26(31-25(20)32-27(38-28)17-8-10-19(36-3)11-9-17)23-14-24(22-12-13-37-34-22)35(33-23)16-18-6-4-5-7-21(18)29/h4-15H,16H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 5.00E+4n/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 US10189809 (2019)

More data for this
Ligand-Target Pair