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BDBM281730 US10023528, Example 3::US10023528, Example 4::US10259776, Example 4

SMILES: CC(C)C(C)(CC(O)=O)c1ccc(Cl)c(NC(=O)[C@@H]([C@@H](C)C(F)(F)F)c2ccc(Cl)cc2)c1

InChI Key: InChIKey=MDMLELLOKAFOJA-GGUSVDMFNA-N

Data: 4 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 281730   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM281730
PNG
(US10023528, Example 3 | US10023528, Example 4 | US...)
Show SMILES CC(C)C(C)(CC(O)=O)c1ccc(Cl)c(NC(=O)[C@@H]([C@@H](C)C(F)(F)F)c2ccc(Cl)cc2)c1
Show InChI InChI=1/C24H26Cl2F3NO3/c1-13(2)23(4,12-20(31)32)16-7-10-18(26)19(11-16)30-22(33)21(14(3)24(27,28)29)15-5-8-17(25)9-6-15/h5-11,13-14,21H,12H2,1-4H3,(H,30,33)(H,31,32)/t14-,21+,23?/s2
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/an/a 37n/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)


Article DOI: 10.1021/jm060897w
BindingDB Entry DOI: 10.7270/Q21N834J
More data for this
Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1


(Homo sapiens (Human))
BDBM281730
PNG
(US10023528, Example 3 | US10023528, Example 4 | US...)
Show SMILES CC(C)C(C)(CC(O)=O)c1ccc(Cl)c(NC(=O)[C@@H]([C@@H](C)C(F)(F)F)c2ccc(Cl)cc2)c1
Show InChI InChI=1/C24H26Cl2F3NO3/c1-13(2)23(4,12-20(31)32)16-7-10-18(26)19(11-16)30-22(33)21(14(3)24(27,28)29)15-5-8-17(25)9-6-15/h5-11,13-14,21H,12H2,1-4H3,(H,30,33)(H,31,32)/t14-,21+,23?/s2
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 110n/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


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...


US Patent US10259776 (2019)

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


(Homo sapiens (Human))
BDBM281730
PNG
(US10023528, Example 3 | US10023528, Example 4 | US...)
Show SMILES CC(C)C(C)(CC(O)=O)c1ccc(Cl)c(NC(=O)[C@@H]([C@@H](C)C(F)(F)F)c2ccc(Cl)cc2)c1
Show InChI InChI=1/C24H26Cl2F3NO3/c1-13(2)23(4,12-20(31)32)16-7-10-18(26)19(11-16)30-22(33)21(14(3)24(27,28)29)15-5-8-17(25)9-6-15/h5-11,13-14,21H,12H2,1-4H3,(H,30,33)(H,31,32)/t14-,21+,23?/s2
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 37n/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


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...


US Patent US10259776 (2019)

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


(Homo sapiens (Human))
BDBM281730
PNG
(US10023528, Example 3 | US10023528, Example 4 | US...)
Show SMILES CC(C)C(C)(CC(O)=O)c1ccc(Cl)c(NC(=O)[C@@H]([C@@H](C)C(F)(F)F)c2ccc(Cl)cc2)c1
Show InChI InChI=1/C24H26Cl2F3NO3/c1-13(2)23(4,12-20(31)32)16-7-10-18(26)19(11-16)30-22(33)21(14(3)24(27,28)29)15-5-8-17(25)9-6-15/h5-11,13-14,21H,12H2,1-4H3,(H,30,33)(H,31,32)/t14-,21+,23?/s2
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/an/a 110n/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)


Article DOI: 10.1021/jm060897w
BindingDB Entry DOI: 10.7270/Q21N834J
More data for this
Ligand-Target Pair