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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 280813   
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/beta-1


(Homo sapiens (Human))
BDBM280813
PNG
((S)-3-(2-{4-amino-2-[1- (2-fluorobenzyl)-1H- pyraz...)
Show SMILES CC(C)(Cc1csc(n1)[C@]1(C)C(=O)Nc2nc(nc(N)c12)-c1nn(Cc2ccccc2F)c2ncccc12)C(O)=O |r|
Show InChI InChI=1S/C28H25FN8O3S/c1-27(2,26(39)40)11-15-13-41-25(32-15)28(3)18-20(30)33-22(34-21(18)35-24(28)38)19-16-8-6-10-31-23(16)37(36-19)12-14-7-4-5-9-17(14)29/h4-10,13H,11-12H2,1-3H3,(H,39,40)(H3,30,33,34,35,38)/t28-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.0630n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The binding buffer was composed of 50 mM triethanolamine, pH 7.4, 3 mM MgCl2, 0.025% BSA, 2 mM dithiothreitol (DTT), 300 μM DETA/NO and 400 _...


US Patent US10428076 (2019)


BindingDB Entry DOI: 10.7270/Q22N54P9
More data for this
Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1


(Homo sapiens (Human))
BDBM280813
PNG
((S)-3-(2-{4-amino-2-[1- (2-fluorobenzyl)-1H- pyraz...)
Show SMILES CC(C)(Cc1csc(n1)[C@]1(C)C(=O)Nc2nc(nc(N)c12)-c1nn(Cc2ccccc2F)c2ncccc12)C(O)=O |r|
Show InChI InChI=1S/C28H25FN8O3S/c1-27(2,26(39)40)11-15-13-41-25(32-15)28(3)18-20(30)33-22(34-21(18)35-24(28)38)19-16-8-6-10-31-23(16)37(36-19)12-14-7-4-5-9-17(14)29/h4-10,13H,11-12H2,1-3H3,(H,39,40)(H3,30,33,34,35,38)/t28-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.0630n/an/an/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The binding potencies of sGC compounds to the human recombinant sGC enzyme were determined in a Size Exclusion Chromatography (SEC) competition bindi...


US Patent US10030027 (2018)


BindingDB Entry DOI: 10.7270/Q22N549C
More data for this
Ligand-Target Pair