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Compile Data Set for Download or QSAR

Found 4 hits of ki for monomerid = 280986   
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))
BDBM280986
PNG
(3-[1-{4-Amino-2-[6-chloro-1-(2-fluorobenzyl)-1H-in...)
Show SMILES CC1(N2CCC(CCC(O)=O)C2)C(=O)Nc2nc(nc(N)c12)-c1nn(Cc2ccccc2F)c2cc(Cl)ccc12
Show InChI InChI=1S/C28H27ClFN7O3/c1-28(36-11-10-15(13-36)6-9-21(38)39)22-24(31)32-26(33-25(22)34-27(28)40)23-18-8-7-17(29)12-20(18)37(35-23)14-16-4-2-3-5-19(16)30/h2-5,7-8,12,15H,6,9-11,13-14H2,1H3,(H,38,39)(H3,31,32,33,34,40)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.0740n/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))
BDBM280986
PNG
(3-[1-{4-Amino-2-[6-chloro-1-(2-fluorobenzyl)-1H-in...)
Show SMILES CC1(N2CCC(CCC(O)=O)C2)C(=O)Nc2nc(nc(N)c12)-c1nn(Cc2ccccc2F)c2cc(Cl)ccc12
Show InChI InChI=1S/C28H27ClFN7O3/c1-28(36-11-10-15(13-36)6-9-21(38)39)22-24(31)32-26(33-25(22)34-27(28)40)23-18-8-7-17(29)12-20(18)37(35-23)14-16-4-2-3-5-19(16)30/h2-5,7-8,12,15H,6,9-11,13-14H2,1H3,(H,38,39)(H3,31,32,33,34,40)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.0740n/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))
BDBM280986
PNG
(3-[1-{4-Amino-2-[6-chloro-1-(2-fluorobenzyl)-1H-in...)
Show SMILES CC1(N2CCC(CCC(O)=O)C2)C(=O)Nc2nc(nc(N)c12)-c1nn(Cc2ccccc2F)c2cc(Cl)ccc12
Show InChI InChI=1S/C28H27ClFN7O3/c1-28(36-11-10-15(13-36)6-9-21(38)39)22-24(31)32-26(33-25(22)34-27(28)40)23-18-8-7-17(29)12-20(18)37(35-23)14-16-4-2-3-5-19(16)30/h2-5,7-8,12,15H,6,9-11,13-14H2,1H3,(H,38,39)(H3,31,32,33,34,40)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.187n/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))
BDBM280986
PNG
(3-[1-{4-Amino-2-[6-chloro-1-(2-fluorobenzyl)-1H-in...)
Show SMILES CC1(N2CCC(CCC(O)=O)C2)C(=O)Nc2nc(nc(N)c12)-c1nn(Cc2ccccc2F)c2cc(Cl)ccc12
Show InChI InChI=1S/C28H27ClFN7O3/c1-28(36-11-10-15(13-36)6-9-21(38)39)22-24(31)32-26(33-25(22)34-27(28)40)23-18-8-7-17(29)12-20(18)37(35-23)14-16-4-2-3-5-19(16)30/h2-5,7-8,12,15H,6,9-11,13-14H2,1H3,(H,38,39)(H3,31,32,33,34,40)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.187n/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