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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 = 'BDBM281734'   
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))
BDBM281734
PNG
(US10023528, Example 10 | US10259776, Example 10)
Show SMILES CC(C)C(CC(O)=O)c1ccc(Cl)c(NC(=O)[C@@H]([C@@H](C)C(F)(F)F)c2ccc(cc2)C(C)C)c1 |r|
Show InChI InChI=1S/C26H31ClF3NO3/c1-14(2)17-6-8-18(9-7-17)24(16(5)26(28,29)30)25(34)31-22-12-19(10-11-21(22)27)20(15(3)4)13-23(32)33/h6-12,14-16,20,24H,13H2,1-5H3,(H,31,34)(H,32,33)/t16-,20?,24+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 10n/an/an/an/a



Institut de Biologie Structurale



Assay Description
Soluble guanylate cyclase (sGC) converts on stimulation GTP into cGMP and pyrophosphate (PPi). PPi is detected with the aid of the assay described be...


J Med Chem 51: 1115-25 (2008)


BindingDB Entry DOI: 10.7270/Q27083RX
More data for this
Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1


(Homo sapiens (Human))
BDBM281734
PNG
(US10023528, Example 10 | US10259776, Example 10)
Show SMILES CC(C)C(CC(O)=O)c1ccc(Cl)c(NC(=O)[C@@H]([C@@H](C)C(F)(F)F)c2ccc(cc2)C(C)C)c1 |r|
Show InChI InChI=1S/C26H31ClF3NO3/c1-14(2)17-6-8-18(9-7-17)24(16(5)26(28,29)30)25(34)31-22-12-19(10-11-21(22)27)20(15(3)4)13-23(32)33/h6-12,14-16,20,24H,13H2,1-5H3,(H,31,34)(H,32,33)/t16-,20?,24+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 10n/an/a7.525



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
To carry out the assay, 29 μl of enzyme solution [0-10 nM soluble guanylate cyclase (prepared according to Hönicka et al, J. Mol. Med. 77, 14-23...


US Patent US10023528 (2018)


BindingDB Entry DOI: 10.7270/Q21N834J
More data for this
Ligand-Target Pair