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Patent code US10259776

Compile Data Set for Download or QSAR
Found 16 hits of Enzyme Inhibition Constant Data   
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))
BDBM281739
PNG
(US10023528, Example 25 | US10259776, Example 25)
Show SMILES COC(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/C24H26Cl2F3NO4/c1-13(24(27,28)29)21(14-5-8-16(25)9-6-14)22(33)30-19-11-15(7-10-18(19)26)17(12-20(31)32)23(2,3)34-4/h5-11,13,17,21H,12H2,1-4H3,(H,30,33)(H,31,32)/t13-,17?,21+/s2
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 220n/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))
BDBM281743
PNG
(US10023528, Example 35 | US10259776, Example 35)
Show SMILES C[C@H]([C@H](C(=O)Nc1cc(ccc1Cl)C(CC1CC1)CC(O)=O)c1ccc(Cl)cc1)C(F)(F)F
Show InChI InChI=1/C24H24Cl2F3NO3/c1-13(24(27,28)29)22(15-4-7-18(25)8-5-15)23(33)30-20-11-16(6-9-19(20)26)17(12-21(31)32)10-14-2-3-14/h4-9,11,13-14,17,22H,2-3,10,12H2,1H3,(H,30,33)(H,31,32)/t13-,17?,22+/s2
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 11n/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))
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
Show InChI InChI=1/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+/s2
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 10n/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))
BDBM281736
PNG
(US10023528, Example 13 | US10259776, Example 13)
Show SMILES CC(C)C(CC(O)=O)c1ccc(Cl)c(NC(=O)[C@@H]([C@@H](C)C(F)(F)F)c2ccc(cc2)C2CC2(F)F)c1
Show InChI InChI=1/C26H27ClF5NO3/c1-13(2)18(11-22(34)35)17-8-9-20(27)21(10-17)33-24(36)23(14(3)26(30,31)32)16-6-4-15(5-7-16)19-12-25(19,28)29/h4-10,13-14,18-19,23H,11-12H2,1-3H3,(H,33,36)(H,34,35)/t14-,18?,19?,23+/s2
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 14n/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))
BDBM281742
PNG
((+)-3-(4-Chloro-3-{[(2S,3R)-2-(4-chlorophenyl)-4,4...)
Show SMILES C[C@H]([C@H](C(=O)Nc1cc(ccc1Cl)C(CC(O)=O)C1CCC1)c1ccc(Cl)cc1)C(F)(F)F
Show InChI InChI=1/C24H24Cl2F3NO3/c1-13(24(27,28)29)22(15-5-8-17(25)9-6-15)23(33)30-20-11-16(7-10-19(20)26)18(12-21(31)32)14-3-2-4-14/h5-11,13-14,18,22H,2-4,12H2,1H3,(H,30,33)(H,31,32)/t13-,18?,22+/s2
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 11n/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))
BDBM281737
PNG
(US10023528, Example 14 | US10259776, Example 14)
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)C)c1
Show InChI InChI=1/C27H33ClF3NO3/c1-15(2)20(14-23(33)34)18-9-12-21(28)22(13-18)32-25(35)24(16(3)27(29,30)31)17-7-10-19(11-8-17)26(4,5)6/h7-13,15-16,20,24H,14H2,1-6H3,(H,32,35)(H,33,34)/t16-,20?,24+/s2
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 8.40n/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))
BDBM281740
PNG
(US10023528, Example 27 | US10259776, Example 27)
Show SMILES C[C@H]([C@H](C(=O)Nc1cc(ccc1Cl)C(CC(O)=O)C1(F)CC1)c1ccc(Cl)cc1)C(F)(F)F
Show InChI InChI=1/C23H21Cl2F4NO3/c1-12(23(27,28)29)20(13-2-5-15(24)6-3-13)21(33)30-18-10-14(4-7-17(18)25)16(11-19(31)32)22(26)8-9-22/h2-7,10,12,16,20H,8-9,11H2,1H3,(H,30,33)(H,31,32)/t12-,16?,20+/s2
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 68n/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))
BDBM281735
PNG
(US10023528, Example 12 | US10259776, Example 12)
Show SMILES CC(C)C(CC(O)=O)c1ccc(Cl)c(NC(=O)C(C(C)C(F)(F)F)c2ccc(CC(F)(F)F)cc2)c1
Show InChI InChI=1/C25H26ClF6NO3/c1-13(2)18(11-21(34)35)17-8-9-19(26)20(10-17)33-23(36)22(14(3)25(30,31)32)16-6-4-15(5-7-16)12-24(27,28)29/h4-10,13-14,18,22H,11-12H2,1-3H3,(H,33,36)(H,34,35)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 17n/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 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))
BDBM281732
PNG
(US10023528, Example 5 | US10023528, Example 6 | US...)
Show SMILES C[C@H]([C@H](C(=O)Nc1cc(ccc1Cl)C(C)(CC(O)=O)C1CCC1)c1ccc(Cl)cc1)C(F)(F)F
Show InChI InChI=1/C25H26Cl2F3NO3/c1-14(25(28,29)30)22(15-6-9-18(26)10-7-15)23(34)31-20-12-17(8-11-19(20)27)24(2,13-21(32)33)16-4-3-5-16/h6-12,14,16,22H,3-5,13H2,1-2H3,(H,31,34)(H,32,33)/t14-,22+,24?/s2
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 5.20n/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))
BDBM281728
PNG
((+)-3-(4-Chloro-3-{[(2S,3R)-2-(4-chlorophenyl)-4,4...)
Show SMILES CC(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/C23H24Cl2F3NO3/c1-12(2)17(11-20(30)31)15-6-9-18(25)19(10-15)29-22(32)21(13(3)23(26,27)28)14-4-7-16(24)8-5-14/h4-10,12-13,17,21H,11H2,1-3H3,(H,29,32)(H,30,31)/t13-,17?,21+/s2
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 22n/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))
BDBM281738
PNG
((+)-3-(4-Chloro-3-{[(2S,3R)-2-(4-chlorophenyl)-4,4...)
Show SMILES C[C@H]([C@H](C(=O)Nc1cc(ccc1Cl)C(CC(O)=O)C1CC1)c1ccc(Cl)cc1)C(F)(F)F
Show InChI InChI=1/C23H22Cl2F3NO3/c1-12(23(26,27)28)21(14-4-7-16(24)8-5-14)22(32)29-19-10-15(6-9-18(19)25)17(11-20(30)31)13-2-3-13/h4-10,12-13,17,21H,2-3,11H2,1H3,(H,29,32)(H,30,31)/t12-,17?,21+/s2
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 68n/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))
BDBM281728
PNG
((+)-3-(4-Chloro-3-{[(2S,3R)-2-(4-chlorophenyl)-4,4...)
Show SMILES CC(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/C23H24Cl2F3NO3/c1-12(2)17(11-20(30)31)15-6-9-18(25)19(10-15)29-22(32)21(13(3)23(26,27)28)14-4-7-16(24)8-5-14/h4-10,12-13,17,21H,11H2,1-3H3,(H,29,32)(H,30,31)/t13-,17?,21+/s2
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 89n/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))
BDBM281732
PNG
(US10023528, Example 5 | US10023528, Example 6 | US...)
Show SMILES C[C@H]([C@H](C(=O)Nc1cc(ccc1Cl)C(C)(CC(O)=O)C1CCC1)c1ccc(Cl)cc1)C(F)(F)F
Show InChI InChI=1/C25H26Cl2F3NO3/c1-14(25(28,29)30)22(15-6-9-18(26)10-7-15)23(34)31-20-12-17(8-11-19(20)27)24(2,13-21(32)33)16-4-3-5-16/h6-12,14,16,22H,3-5,13H2,1-2H3,(H,31,34)(H,32,33)/t14-,22+,24?/s2
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 56n/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))
BDBM281741
PNG
(3-(4-Chloro-3-{[(3R)-2-chlorophenyl)-4,4,4-trifluo...)
Show SMILES CC(C(C1CC1)c1ccc(Cl)c(NC(=O)C([C@@H](C)C(F)(F)F)c2ccc(Cl)cc2)c1)C(O)=O
Show InChI InChI=1/C24H24Cl2F3NO3/c1-12(23(32)33)20(14-3-4-14)16-7-10-18(26)19(11-16)30-22(31)21(13(2)24(27,28)29)15-5-8-17(25)9-6-15/h5-14,20-21H,3-4H2,1-2H3,(H,30,31)(H,32,33)/t12?,13-,20?,21?/s2
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 640n/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
* indicates data uncertainty>20%