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Compile Data Set for Download or QSAR

Found 4 hits of ki for monomerid = 280844   
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))
BDBM280844
PNG
(3-{2-[4-amino-5-methyl- 2-{1-[4- methylcyclohexylm...)
Show SMILES CC1CCC(Cn2nc(-c3nc4NC(=O)C(C)(c5nc(CC(C)(C)C(O)=O)co5)c4c(N)n3)c3cccnc23)CC1 |(-2.14,-7.53,;-3.23,-6.44,;-4.71,-6.84,;-5.8,-5.75,;-5.4,-4.26,;-6.49,-3.17,;-6.1,-1.69,;-4.63,-1.21,;-4.63,.33,;-3.3,1.1,;-1.96,.33,;-.63,1.1,;.83,.62,;1.74,1.87,;3.28,1.87,;.83,3.12,;.06,4.45,;2.17,3.89,;3.63,3.41,;4.54,4.66,;6.08,4.66,;6.85,5.99,;6.85,7.53,;5.51,6.76,;8.39,5.99,;9.16,7.32,;9.16,4.66,;3.63,5.9,;2.17,5.43,;-.63,2.64,;-1.96,3.41,;-1.96,4.95,;-3.3,2.64,;-6.1,.81,;-6.72,2.21,;-8.25,2.37,;-9.16,1.13,;-8.53,-.28,;-7,-.44,;-3.92,-3.86,;-2.83,-4.95,)|
Show InChI InChI=1S/C29H34N8O4/c1-15-7-9-16(10-8-15)13-37-24-18(6-5-11-31-24)20(36-37)23-33-21(30)19-22(34-23)35-25(38)29(19,4)26-32-17(14-41-26)12-28(2,3)27(39)40/h5-6,11,14-16H,7-10,12-13H2,1-4H3,(H,39,40)(H3,30,33,34,35,38)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.0770n/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
Guanylate cyclase soluble subunit alpha-1/beta-1


(Homo sapiens (Human))
BDBM280844
PNG
(3-{2-[4-amino-5-methyl- 2-{1-[4- methylcyclohexylm...)
Show SMILES CC1CCC(Cn2nc(-c3nc4NC(=O)C(C)(c5nc(CC(C)(C)C(O)=O)co5)c4c(N)n3)c3cccnc23)CC1 |(-2.14,-7.53,;-3.23,-6.44,;-4.71,-6.84,;-5.8,-5.75,;-5.4,-4.26,;-6.49,-3.17,;-6.1,-1.69,;-4.63,-1.21,;-4.63,.33,;-3.3,1.1,;-1.96,.33,;-.63,1.1,;.83,.62,;1.74,1.87,;3.28,1.87,;.83,3.12,;.06,4.45,;2.17,3.89,;3.63,3.41,;4.54,4.66,;6.08,4.66,;6.85,5.99,;6.85,7.53,;5.51,6.76,;8.39,5.99,;9.16,7.32,;9.16,4.66,;3.63,5.9,;2.17,5.43,;-.63,2.64,;-1.96,3.41,;-1.96,4.95,;-3.3,2.64,;-6.1,.81,;-6.72,2.21,;-8.25,2.37,;-9.16,1.13,;-8.53,-.28,;-7,-.44,;-3.92,-3.86,;-2.83,-4.95,)|
Show InChI InChI=1S/C29H34N8O4/c1-15-7-9-16(10-8-15)13-37-24-18(6-5-11-31-24)20(36-37)23-33-21(30)19-22(34-23)35-25(38)29(19,4)26-32-17(14-41-26)12-28(2,3)27(39)40/h5-6,11,14-16H,7-10,12-13H2,1-4H3,(H,39,40)(H3,30,33,34,35,38)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.0770n/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/beta-1


(Homo sapiens (Human))
BDBM280844
PNG
(3-{2-[4-amino-5-methyl- 2-{1-[4- methylcyclohexylm...)
Show SMILES CC1CCC(Cn2nc(-c3nc4NC(=O)C(C)(c5nc(CC(C)(C)C(O)=O)co5)c4c(N)n3)c3cccnc23)CC1 |(-2.14,-7.53,;-3.23,-6.44,;-4.71,-6.84,;-5.8,-5.75,;-5.4,-4.26,;-6.49,-3.17,;-6.1,-1.69,;-4.63,-1.21,;-4.63,.33,;-3.3,1.1,;-1.96,.33,;-.63,1.1,;.83,.62,;1.74,1.87,;3.28,1.87,;.83,3.12,;.06,4.45,;2.17,3.89,;3.63,3.41,;4.54,4.66,;6.08,4.66,;6.85,5.99,;6.85,7.53,;5.51,6.76,;8.39,5.99,;9.16,7.32,;9.16,4.66,;3.63,5.9,;2.17,5.43,;-.63,2.64,;-1.96,3.41,;-1.96,4.95,;-3.3,2.64,;-6.1,.81,;-6.72,2.21,;-8.25,2.37,;-9.16,1.13,;-8.53,-.28,;-7,-.44,;-3.92,-3.86,;-2.83,-4.95,)|
Show InChI InChI=1S/C29H34N8O4/c1-15-7-9-16(10-8-15)13-37-24-18(6-5-11-31-24)20(36-37)23-33-21(30)19-22(34-23)35-25(38)29(19,4)26-32-17(14-41-26)12-28(2,3)27(39)40/h5-6,11,14-16H,7-10,12-13H2,1-4H3,(H,39,40)(H3,30,33,34,35,38)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.100n/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))
BDBM280844
PNG
(3-{2-[4-amino-5-methyl- 2-{1-[4- methylcyclohexylm...)
Show SMILES CC1CCC(Cn2nc(-c3nc4NC(=O)C(C)(c5nc(CC(C)(C)C(O)=O)co5)c4c(N)n3)c3cccnc23)CC1 |(-2.14,-7.53,;-3.23,-6.44,;-4.71,-6.84,;-5.8,-5.75,;-5.4,-4.26,;-6.49,-3.17,;-6.1,-1.69,;-4.63,-1.21,;-4.63,.33,;-3.3,1.1,;-1.96,.33,;-.63,1.1,;.83,.62,;1.74,1.87,;3.28,1.87,;.83,3.12,;.06,4.45,;2.17,3.89,;3.63,3.41,;4.54,4.66,;6.08,4.66,;6.85,5.99,;6.85,7.53,;5.51,6.76,;8.39,5.99,;9.16,7.32,;9.16,4.66,;3.63,5.9,;2.17,5.43,;-.63,2.64,;-1.96,3.41,;-1.96,4.95,;-3.3,2.64,;-6.1,.81,;-6.72,2.21,;-8.25,2.37,;-9.16,1.13,;-8.53,-.28,;-7,-.44,;-3.92,-3.86,;-2.83,-4.95,)|
Show InChI InChI=1S/C29H34N8O4/c1-15-7-9-16(10-8-15)13-37-24-18(6-5-11-31-24)20(36-37)23-33-21(30)19-22(34-23)35-25(38)29(19,4)26-32-17(14-41-26)12-28(2,3)27(39)40/h5-6,11,14-16H,7-10,12-13H2,1-4H3,(H,39,40)(H3,30,33,34,35,38)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.100n/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