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Compile Data Set for Download or QSAR

Found 200 hits with Last Name = 'fretzen' and Initial = 'a'   
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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50175274
PNG
(CHEMBL3809864 | US10189809, Compound I-97)
Show SMILES Nc1ccnc(n1)-c1cc(-c2ccon2)n(Cc2ccccc2F)n1
Show InChI InChI=1S/C17H13FN6O/c18-12-4-2-1-3-11(12)10-24-15(13-6-8-25-23-13)9-14(22-24)17-20-7-5-16(19)21-17/h1-9H,10H2,(H2,19,20,21)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Ironwood Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to KOP receptor (unknown origin) at 10 uM


ACS Med Chem Lett 7: 465-9 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00479
BindingDB Entry DOI: 10.7270/Q2HM5BCF
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50175274
PNG
(CHEMBL3809864 | US10189809, Compound I-97)
Show SMILES Nc1ccnc(n1)-c1cc(-c2ccon2)n(Cc2ccccc2F)n1
Show InChI InChI=1S/C17H13FN6O/c18-12-4-2-1-3-11(12)10-24-15(13-6-8-25-23-13)9-14(22-24)17-20-7-5-16(19)21-17/h1-9H,10H2,(H2,19,20,21)
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n/an/an/an/a 1.50E+3n/an/an/an/a



Ironwood Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at KOP receptor (unknown origin)


ACS Med Chem Lett 7: 465-9 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00479
BindingDB Entry DOI: 10.7270/Q2HM5BCF
More data for this
Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1


(Homo sapiens (Human))
BDBM323806
PNG
(US10189809, Compound I-1)
Show SMILES Fc1ccccc1Cn1nc(cc1-c1ccccn1)-c1ccccn1
Show InChI InChI=1S/C20H15FN4/c21-16-8-2-1-7-15(16)14-25-20(18-10-4-6-12-23-18)13-19(24-25)17-9-3-5-11-22-17/h1-13H,14H2
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n/an/an/an/a 2.00E+5n/an/an/an/a



Ironwood Pharmaceuticals, Inc.

US Patent


Assay Description
Human embryonic kidney cells (HEK293), endogenously expressing soluble guanylate cyclase (sGC), were used to evaluate the activity of test compounds....


US Patent US10189809 (2019)

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


(Homo sapiens (Human))
BDBM323807
PNG
(US10189809, Compound I-3)
Show SMILES Fc1ccccc1Cn1nc(cc1[N+]#[C-])-c1ccccn1
Show InChI InChI=1S/C16H11FN4/c1-18-16-10-15(14-8-4-5-9-19-14)20-21(16)11-12-6-2-3-7-13(12)17/h2-10H,11H2
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n/an/an/an/a 3.00E+4n/an/an/an/a



Ironwood Pharmaceuticals, Inc.

US Patent


Assay Description
Human embryonic kidney cells (HEK293), endogenously expressing soluble guanylate cyclase (sGC), were used to evaluate the activity of test compounds....


US Patent US10189809 (2019)

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


(Homo sapiens (Human))
BDBM323808
PNG
(US10189809, Compound I-26)
Show SMILES Fc1ccccc1Cn1nc(cc1-c1ccsc1)-c1ccccn1
Show InChI InChI=1S/C19H14FN3S/c20-16-6-2-1-5-14(16)12-23-19(15-8-10-24-13-15)11-18(22-23)17-7-3-4-9-21-17/h1-11,13H,12H2
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n/an/an/an/a 8.00E+4n/an/an/an/a



Ironwood Pharmaceuticals, Inc.

US Patent


Assay Description
Human embryonic kidney cells (HEK293), endogenously expressing soluble guanylate cyclase (sGC), were used to evaluate the activity of test compounds....


US Patent US10189809 (2019)

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


(Homo sapiens (Human))
BDBM323809
PNG
(US10189809, Compound I-27)
Show SMILES Fc1ccccc1Cn1nc(cc1-c1nccs1)-c1ccccn1
Show InChI InChI=1S/C18H13FN4S/c19-14-6-2-1-5-13(14)12-23-17(18-21-9-10-24-18)11-16(22-23)15-7-3-4-8-20-15/h1-11H,12H2
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n/an/an/an/a 3.00E+4n/an/an/an/a



Ironwood Pharmaceuticals, Inc.

US Patent


Assay Description
Human embryonic kidney cells (HEK293), endogenously expressing soluble guanylate cyclase (sGC), were used to evaluate the activity of test compounds....


US Patent US10189809 (2019)

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


(Homo sapiens (Human))
BDBM323810
PNG
(US10189809, Compound I-33)
Show SMILES Fc1ccccc1Cn1nc(cc1-c1nccs1)-c1ncccn1
Show InChI InChI=1S/C17H12FN5S/c18-13-5-2-1-4-12(13)11-23-15(17-21-8-9-24-17)10-14(22-23)16-19-6-3-7-20-16/h1-10H,11H2
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n/an/an/an/a 3.00E+4n/an/an/an/a



Ironwood Pharmaceuticals, Inc.

US Patent


Assay Description
Human embryonic kidney cells (HEK293), endogenously expressing soluble guanylate cyclase (sGC), were used to evaluate the activity of test compounds....


US Patent US10189809 (2019)

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


(Homo sapiens (Human))
BDBM323811
PNG
(US10189809, Compound I-42)
Show SMILES Fc1ccccc1Cn1nc(cc1C1CCC1)-c1ccccn1
Show InChI InChI=1S/C19H18FN3/c20-16-9-2-1-6-15(16)13-23-19(14-7-5-8-14)12-18(22-23)17-10-3-4-11-21-17/h1-4,6,9-12,14H,5,7-8,13H2
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n/an/an/an/a 2.00E+5n/an/an/an/a



Ironwood Pharmaceuticals, Inc.

US Patent


Assay Description
Human embryonic kidney cells (HEK293), endogenously expressing soluble guanylate cyclase (sGC), were used to evaluate the activity of test compounds....


US Patent US10189809 (2019)

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


(Homo sapiens (Human))
BDBM323812
PNG
(US10189809, Compound I-45)
Show SMILES Fc1ccccc1Cn1nc(cc1-c1nnco1)-c1ccccn1
Show InChI InChI=1S/C17H12FN5O/c18-13-6-2-1-5-12(13)10-23-16(17-21-20-11-24-17)9-15(22-23)14-7-3-4-8-19-14/h1-9,11H,10H2
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n/an/an/an/a 8.00E+4n/an/an/an/a



Ironwood Pharmaceuticals, Inc.

US Patent


Assay Description
Human embryonic kidney cells (HEK293), endogenously expressing soluble guanylate cyclase (sGC), were used to evaluate the activity of test compounds....


US Patent US10189809 (2019)

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


(Homo sapiens (Human))
BDBM323813
PNG
(US10189809, Compound I-4)
Show SMILES Fc1ccccc1Cn1nc(cc1-c1ccsc1)-c1ncccn1
Show InChI InChI=1S/C18H13FN4S/c19-15-5-2-1-4-13(15)11-23-17(14-6-9-24-12-14)10-16(22-23)18-20-7-3-8-21-18/h1-10,12H,11H2
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n/an/an/an/a 8.00E+4n/an/an/an/a



Ironwood Pharmaceuticals, Inc.

US Patent


Assay Description
Human embryonic kidney cells (HEK293), endogenously expressing soluble guanylate cyclase (sGC), were used to evaluate the activity of test compounds....


US Patent US10189809 (2019)

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


(Homo sapiens (Human))
BDBM323814
PNG
(US10189809, Compound I-49)
Show SMILES Nc1ccnc(n1)-c1cc(-c2ccsc2)n(Cc2ccccc2F)n1
Show InChI InChI=1S/C18H14FN5S/c19-14-4-2-1-3-12(14)10-24-16(13-6-8-25-11-13)9-15(23-24)18-21-7-5-17(20)22-18/h1-9,11H,10H2,(H2,20,21,22)
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n/an/an/an/a<2.00E+4n/an/an/an/a



Ironwood Pharmaceuticals, Inc.

US Patent


Assay Description
Human embryonic kidney cells (HEK293), endogenously expressing soluble guanylate cyclase (sGC), were used to evaluate the activity of test compounds....


US Patent US10189809 (2019)

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


(Homo sapiens (Human))
BDBM323815
PNG
(US10189809, Compound I-55)
Show SMILES Cc1cc(nn1Cc1ccccc1F)-c1ccccn1
Show InChI InChI=1S/C16H14FN3/c1-12-10-16(15-8-4-5-9-18-15)19-20(12)11-13-6-2-3-7-14(13)17/h2-10H,11H2,1H3
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n/an/an/an/a 2.00E+5n/an/an/an/a



Ironwood Pharmaceuticals, Inc.

US Patent


Assay Description
Human embryonic kidney cells (HEK293), endogenously expressing soluble guanylate cyclase (sGC), were used to evaluate the activity of test compounds....


US Patent US10189809 (2019)

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


(Homo sapiens (Human))
BDBM323816
PNG
(US10189809, Compound I-6)
Show SMILES COc1cccc(n1)-c1cc(nn1Cc1ccccc1F)-c1ncccn1
Show InChI InChI=1S/C20H16FN5O/c1-27-19-9-4-8-16(24-19)18-12-17(20-22-10-5-11-23-20)25-26(18)13-14-6-2-3-7-15(14)21/h2-12H,13H2,1H3
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n/an/an/an/a 5.00E+4n/an/an/an/a



Ironwood Pharmaceuticals, Inc.

US Patent


Assay Description
Human embryonic kidney cells (HEK293), endogenously expressing soluble guanylate cyclase (sGC), were used to evaluate the activity of test compounds....


US Patent US10189809 (2019)

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


(Homo sapiens (Human))
BDBM323817
PNG
(US10189809, Compound I-61)
Show SMILES Fc1ccccc1Cn1nc(cc1-c1ccco1)-c1ccccn1
Show InChI InChI=1S/C19H14FN3O/c20-15-7-2-1-6-14(15)13-23-18(19-9-5-11-24-19)12-17(22-23)16-8-3-4-10-21-16/h1-12H,13H2
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n/an/an/an/a 5.00E+4n/an/an/an/a



Ironwood Pharmaceuticals, Inc.

US Patent


Assay Description
Human embryonic kidney cells (HEK293), endogenously expressing soluble guanylate cyclase (sGC), were used to evaluate the activity of test compounds....


US Patent US10189809 (2019)

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


(Homo sapiens (Human))
BDBM323818
PNG
(US10189809, Compound I-66)
Show SMILES Fc1ccccc1Cn1nc(cc1-c1cccs1)-c1ncccn1
Show InChI InChI=1S/C18H13FN4S/c19-14-6-2-1-5-13(14)12-23-16(17-7-3-10-24-17)11-15(22-23)18-20-8-4-9-21-18/h1-11H,12H2
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n/an/an/an/a 8.00E+4n/an/an/an/a



Ironwood Pharmaceuticals, Inc.

US Patent


Assay Description
Human embryonic kidney cells (HEK293), endogenously expressing soluble guanylate cyclase (sGC), were used to evaluate the activity of test compounds....


US Patent US10189809 (2019)

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


(Homo sapiens (Human))
BDBM323819
PNG
(US10189809, Compound I-71)
Show SMILES COC(=O)Nc1c(N)nc(nc1N)-c1cc(-c2ccsc2)n(Cc2ccccc2F)n1
Show InChI InChI=1S/C20H18FN7O2S/c1-30-20(29)24-16-17(22)25-19(26-18(16)23)14-8-15(12-6-7-31-10-12)28(27-14)9-11-4-2-3-5-13(11)21/h2-8,10H,9H2,1H3,(H,24,29)(H4,22,23,25,26)
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n/an/an/an/a 2.00E+5n/an/an/an/a



Ironwood Pharmaceuticals, Inc.

US Patent


Assay Description
Human embryonic kidney cells (HEK293), endogenously expressing soluble guanylate cyclase (sGC), were used to evaluate the activity of test compounds....


US Patent US10189809 (2019)

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


(Homo sapiens (Human))
BDBM323820
PNG
(US10189809, Compound I-72)
Show SMILES COC(=O)N(C)c1c(N)nc(nc1N)-c1cc(-c2ccsc2)n(Cc2ccccc2F)n1
Show InChI InChI=1S/C21H20FN7O2S/c1-28(21(30)31-2)17-18(23)25-20(26-19(17)24)15-9-16(13-7-8-32-11-13)29(27-15)10-12-5-3-4-6-14(12)22/h3-9,11H,10H2,1-2H3,(H4,23,24,25,26)
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n/an/an/an/a 3.00E+4n/an/an/an/a



Ironwood Pharmaceuticals, Inc.

US Patent


Assay Description
Human embryonic kidney cells (HEK293), endogenously expressing soluble guanylate cyclase (sGC), were used to evaluate the activity of test compounds....


US Patent US10189809 (2019)

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


(Homo sapiens (Human))
BDBM323821
PNG
(US10189809, Compound I-75)
Show SMILES Fc1ccccc1Cn1nc(cc1-c1ccccn1)-c1ncccn1
Show InChI InChI=1S/C19H14FN5/c20-15-7-2-1-6-14(15)13-25-18(16-8-3-4-9-21-16)12-17(24-25)19-22-10-5-11-23-19/h1-12H,13H2
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n/an/an/an/a 5.00E+4n/an/an/an/a



Ironwood Pharmaceuticals, Inc.

US Patent


Assay Description
Human embryonic kidney cells (HEK293), endogenously expressing soluble guanylate cyclase (sGC), were used to evaluate the activity of test compounds....


US Patent US10189809 (2019)

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


(Homo sapiens (Human))
BDBM323822
PNG
(US10189809, Compound I-83)
Show SMILES COC(=O)Nc1c(N)nc(nc1N)-c1cc(-c2ccccc2)n(Cc2ccccc2F)n1
Show InChI InChI=1S/C22H20FN7O2/c1-32-22(31)26-18-19(24)27-21(28-20(18)25)16-11-17(13-7-3-2-4-8-13)30(29-16)12-14-9-5-6-10-15(14)23/h2-11H,12H2,1H3,(H,26,31)(H4,24,25,27,28)
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n/an/an/an/a 2.00E+5n/an/an/an/a



Ironwood Pharmaceuticals, Inc.

US Patent


Assay Description
Human embryonic kidney cells (HEK293), endogenously expressing soluble guanylate cyclase (sGC), were used to evaluate the activity of test compounds....


US Patent US10189809 (2019)

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


(Homo sapiens (Human))
BDBM323823
PNG
(US10189809, Compound I-84)
Show SMILES COC(=O)N(C)c1c(N)nc(nc1N)-c1cc(-c2ccccc2)n(Cc2ccccc2F)n1
Show InChI InChI=1S/C23H22FN7O2/c1-30(23(32)33-2)19-20(25)27-22(28-21(19)26)17-12-18(14-8-4-3-5-9-14)31(29-17)13-15-10-6-7-11-16(15)24/h3-12H,13H2,1-2H3,(H4,25,26,27,28)
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n/an/an/an/a 5.00E+4n/an/an/an/a



Ironwood Pharmaceuticals, Inc.

US Patent


Assay Description
Human embryonic kidney cells (HEK293), endogenously expressing soluble guanylate cyclase (sGC), were used to evaluate the activity of test compounds....


US Patent US10189809 (2019)

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


(Homo sapiens (Human))
BDBM323824
PNG
(US10189809, Compound I-85)
Show SMILES Fc1ccccc1Cn1nc(cc1-c1cscn1)-c1ncccn1
Show InChI InChI=1S/C17H12FN5S/c18-13-5-2-1-4-12(13)9-23-16(15-10-24-11-21-15)8-14(22-23)17-19-6-3-7-20-17/h1-8,10-11H,9H2
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n/an/an/an/a<2.00E+4n/an/an/an/a



Ironwood Pharmaceuticals, Inc.

US Patent


Assay Description
Human embryonic kidney cells (HEK293), endogenously expressing soluble guanylate cyclase (sGC), were used to evaluate the activity of test compounds....


US Patent US10189809 (2019)

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


(Homo sapiens (Human))
BDBM323825
PNG
(US10189809, Compound I-86)
Show SMILES Nc1ccnc(n1)-c1cc(-c2nccs2)n(Cc2ccccc2F)n1
Show InChI InChI=1S/C17H13FN6S/c18-12-4-2-1-3-11(12)10-24-14(17-21-7-8-25-17)9-13(23-24)16-20-6-5-15(19)22-16/h1-9H,10H2,(H2,19,20,22)
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n/an/an/an/a<2.00E+4n/an/an/an/a



Ironwood Pharmaceuticals, Inc.

US Patent


Assay Description
Human embryonic kidney cells (HEK293), endogenously expressing soluble guanylate cyclase (sGC), were used to evaluate the activity of test compounds....


US Patent US10189809 (2019)

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


(Homo sapiens (Human))
BDBM323826
PNG
(US10189809, Compound I-87)
Show SMILES Nc1ccnc(n1)-c1cc(-c2ncco2)n(Cc2ccccc2F)n1
Show InChI InChI=1S/C17H13FN6O/c18-12-4-2-1-3-11(12)10-24-14(17-21-7-8-25-17)9-13(23-24)16-20-6-5-15(19)22-16/h1-9H,10H2,(H2,19,20,22)
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n/an/an/an/a<2.00E+4n/an/an/an/a



Ironwood Pharmaceuticals, Inc.

US Patent


Assay Description
Human embryonic kidney cells (HEK293), endogenously expressing soluble guanylate cyclase (sGC), were used to evaluate the activity of test compounds....


US Patent US10189809 (2019)

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


(Homo sapiens (Human))
BDBM323827
PNG
(US10189809, Compound I-92)
Show SMILES Nc1ccnc(n1)-c1cc(-c2cscn2)n(Cc2ccccc2F)n1
Show InChI InChI=1S/C17H13FN6S/c18-12-4-2-1-3-11(12)8-24-15(14-9-25-10-21-14)7-13(23-24)17-20-6-5-16(19)22-17/h1-7,9-10H,8H2,(H2,19,20,22)
PDB

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n/an/an/an/a 5.00E+4n/an/an/an/a



Ironwood Pharmaceuticals, Inc.

US Patent


Assay Description
Human embryonic kidney cells (HEK293), endogenously expressing soluble guanylate cyclase (sGC), were used to evaluate the activity of test compounds....


US Patent US10189809 (2019)

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


(Homo sapiens (Human))
BDBM323828
PNG
(US10189809, Compound I-93)
Show SMILES COC(=O)Nc1c(N)nc(nc1N)-c1cc(-c2nccs2)n(Cc2ccccc2F)n1
Show InChI InChI=1S/C19H17FN8O2S/c1-30-19(29)24-14-15(21)25-17(26-16(14)22)12-8-13(18-23-6-7-31-18)28(27-12)9-10-4-2-3-5-11(10)20/h2-8H,9H2,1H3,(H,24,29)(H4,21,22,25,26)
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n/an/an/an/a 2.00E+5n/an/an/an/a



Ironwood Pharmaceuticals, Inc.

US Patent


Assay Description
Human embryonic kidney cells (HEK293), endogenously expressing soluble guanylate cyclase (sGC), were used to evaluate the activity of test compounds....


US Patent US10189809 (2019)

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


(Homo sapiens (Human))
BDBM323829
PNG
(US10189809, Compound I-96)
Show SMILES Cn1c2c(N)nc(nc2[nH]c1=O)-c1cc(-c2nccs2)n(Cc2ccccc2F)n1
Show InChI InChI=1S/C19H15FN8OS/c1-27-14-15(21)23-16(24-17(14)25-19(27)29)12-8-13(18-22-6-7-30-18)28(26-12)9-10-4-2-3-5-11(10)20/h2-8H,9H2,1H3,(H3,21,23,24,25,29)
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n/an/an/an/a<2.00E+4n/an/an/an/a



Ironwood Pharmaceuticals, Inc.

US Patent


Assay Description
Human embryonic kidney cells (HEK293), endogenously expressing soluble guanylate cyclase (sGC), were used to evaluate the activity of test compounds....


US Patent US10189809 (2019)

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


(Homo sapiens (Human))
BDBM50175274
PNG
(CHEMBL3809864 | US10189809, Compound I-97)
Show SMILES Nc1ccnc(n1)-c1cc(-c2ccon2)n(Cc2ccccc2F)n1
Show InChI InChI=1S/C17H13FN6O/c18-12-4-2-1-3-11(12)10-24-15(13-6-8-25-23-13)9-14(22-24)17-20-7-5-16(19)21-17/h1-9H,10H2,(H2,19,20,21)
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Ironwood Pharmaceuticals, Inc.

US Patent


Assay Description
Human embryonic kidney cells (HEK293), endogenously expressing soluble guanylate cyclase (sGC), were used to evaluate the activity of test compounds....


US Patent US10189809 (2019)

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


(Homo sapiens (Human))
BDBM323831
PNG
(US10189809, Compound I-98)
Show SMILES Nc1ccnc(n1)-c1cc(-c2cocn2)n(Cc2ccccc2F)n1
Show InChI InChI=1S/C17H13FN6O/c18-12-4-2-1-3-11(12)8-24-15(14-9-25-10-21-14)7-13(23-24)17-20-6-5-16(19)22-17/h1-7,9-10H,8H2,(H2,19,20,22)
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Ironwood Pharmaceuticals, Inc.

US Patent


Assay Description
Human embryonic kidney cells (HEK293), endogenously expressing soluble guanylate cyclase (sGC), were used to evaluate the activity of test compounds....


US Patent US10189809 (2019)

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


(Homo sapiens (Human))
BDBM323832
PNG
(US10189809, Compound I-99)
Show SMILES COC(=O)Nc1c(N)nc(nc1N)-c1cc(-c2ncco2)n(Cc2ccccc2F)n1
Show InChI InChI=1S/C19H17FN8O3/c1-30-19(29)24-14-15(21)25-17(26-16(14)22)12-8-13(18-23-6-7-31-18)28(27-12)9-10-4-2-3-5-11(10)20/h2-8H,9H2,1H3,(H,24,29)(H4,21,22,25,26)
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n/an/an/an/a 3.00E+4n/an/an/an/a



Ironwood Pharmaceuticals, Inc.

US Patent


Assay Description
Human embryonic kidney cells (HEK293), endogenously expressing soluble guanylate cyclase (sGC), were used to evaluate the activity of test compounds....


US Patent US10189809 (2019)

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


(Homo sapiens (Human))
BDBM323833
PNG
(US10189809, Compound I-100)
Show SMILES COC(=O)N(C)c1c(N)nc(nc1N)-c1cc(-c2ncco2)n(Cc2ccccc2F)n1
Show InChI InChI=1S/C20H19FN8O3/c1-28(20(30)31-2)15-16(22)25-18(26-17(15)23)13-9-14(19-24-7-8-32-19)29(27-13)10-11-5-3-4-6-12(11)21/h3-9H,10H2,1-2H3,(H4,22,23,25,26)
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n/an/an/an/a 2.00E+5n/an/an/an/a



Ironwood Pharmaceuticals, Inc.

US Patent


Assay Description
Human embryonic kidney cells (HEK293), endogenously expressing soluble guanylate cyclase (sGC), were used to evaluate the activity of test compounds....


US Patent US10189809 (2019)

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


(Homo sapiens (Human))
BDBM323834
PNG
(US10189809, Compound I-101)
Show SMILES Cn1c2c(N)nc(nc2[nH]c1=O)-c1cc(-c2ncco2)n(Cc2ccccc2F)n1
Show InChI InChI=1S/C19H15FN8O2/c1-27-14-15(21)23-16(24-17(14)25-19(27)29)12-8-13(18-22-6-7-30-18)28(26-12)9-10-4-2-3-5-11(10)20/h2-8H,9H2,1H3,(H3,21,23,24,25,29)
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n/an/an/an/a 5.00E+4n/an/an/an/a



Ironwood Pharmaceuticals, Inc.

US Patent


Assay Description
Human embryonic kidney cells (HEK293), endogenously expressing soluble guanylate cyclase (sGC), were used to evaluate the activity of test compounds....


US Patent US10189809 (2019)

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


(Homo sapiens (Human))
BDBM323835
PNG
(US10189809, Compound I-102)
Show SMILES Nc1nc(ncc1-c1ccncc1)-c1cc(-c2ccon2)n(Cc2ccccc2F)n1
Show InChI InChI=1S/C22H16FN7O/c23-17-4-2-1-3-15(17)13-30-20(18-7-10-31-29-18)11-19(28-30)22-26-12-16(21(24)27-22)14-5-8-25-9-6-14/h1-12H,13H2,(H2,24,26,27)
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Ironwood Pharmaceuticals, Inc.

US Patent


Assay Description
Human embryonic kidney cells (HEK293), endogenously expressing soluble guanylate cyclase (sGC), were used to evaluate the activity of test compounds....


US Patent US10189809 (2019)

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


(Homo sapiens (Human))
BDBM323836
PNG
(US10189809, Compound I-103)
Show SMILES Nc1cc(N)nc(n1)-c1cc(-c2ccon2)n(Cc2ccccc2F)n1
Show InChI InChI=1S/C17H14FN7O/c18-11-4-2-1-3-10(11)9-25-14(12-5-6-26-24-12)7-13(23-25)17-21-15(19)8-16(20)22-17/h1-8H,9H2,(H4,19,20,21,22)
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Ironwood Pharmaceuticals, Inc.

US Patent


Assay Description
Human embryonic kidney cells (HEK293), endogenously expressing soluble guanylate cyclase (sGC), were used to evaluate the activity of test compounds....


US Patent US10189809 (2019)

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


(Homo sapiens (Human))
BDBM323837
PNG
(US10189809, Compound I-104)
Show SMILES Nc1nc(ncc1C1CC1)-c1cc(-c2ccon2)n(Cc2ccccc2F)n1
Show InChI InChI=1S/C20H17FN6O/c21-15-4-2-1-3-13(15)11-27-18(16-7-8-28-26-16)9-17(25-27)20-23-10-14(12-5-6-12)19(22)24-20/h1-4,7-10,12H,5-6,11H2,(H2,22,23,24)
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Ironwood Pharmaceuticals, Inc.

US Patent


Assay Description
Human embryonic kidney cells (HEK293), endogenously expressing soluble guanylate cyclase (sGC), were used to evaluate the activity of test compounds....


US Patent US10189809 (2019)

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


(Homo sapiens (Human))
BDBM323838
PNG
(US10189809, Compound I-105)
Show SMILES COC(=O)N(C)c1cnc(nc1N)-c1cc(-c2ccon2)n(Cc2ccccc2F)n1
Show InChI InChI=1S/C20H18FN7O3/c1-27(20(29)30-2)17-10-23-19(24-18(17)22)15-9-16(14-7-8-31-26-14)28(25-15)11-12-5-3-4-6-13(12)21/h3-10H,11H2,1-2H3,(H2,22,23,24)
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Ironwood Pharmaceuticals, Inc.

US Patent


Assay Description
Human embryonic kidney cells (HEK293), endogenously expressing soluble guanylate cyclase (sGC), were used to evaluate the activity of test compounds....


US Patent US10189809 (2019)

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


(Homo sapiens (Human))
BDBM323839
PNG
(US10189809, Compound I-106)
Show SMILES CC(C)(C)OC(=O)Nc1cnc(nc1N)-c1cc(-c2ccon2)n(Cc2ccccc2F)n1
Show InChI InChI=1S/C22H22FN7O3/c1-22(2,3)33-21(31)26-17-11-25-20(27-19(17)24)16-10-18(15-8-9-32-29-15)30(28-16)12-13-6-4-5-7-14(13)23/h4-11H,12H2,1-3H3,(H,26,31)(H2,24,25,27)
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Ironwood Pharmaceuticals, Inc.

US Patent


Assay Description
Human embryonic kidney cells (HEK293), endogenously expressing soluble guanylate cyclase (sGC), were used to evaluate the activity of test compounds....


US Patent US10189809 (2019)

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


(Homo sapiens (Human))
BDBM323840
PNG
(US10189809, Compound I-107)
Show SMILES Nc1cnc(nc1N)-c1cc(-c2ccon2)n(Cc2ccccc2F)n1
Show InChI InChI=1S/C17H14FN7O/c18-11-4-2-1-3-10(11)9-25-15(13-5-6-26-24-13)7-14(23-25)17-21-8-12(19)16(20)22-17/h1-8H,9,19H2,(H2,20,21,22)
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Ironwood Pharmaceuticals, Inc.

US Patent


Assay Description
Human embryonic kidney cells (HEK293), endogenously expressing soluble guanylate cyclase (sGC), were used to evaluate the activity of test compounds....


US Patent US10189809 (2019)

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


(Homo sapiens (Human))
BDBM323841
PNG
(US10189809, Compound I-108)
Show SMILES Nc1nc(ncc1-c1nccs1)-c1cc(-c2ccon2)n(Cc2ccccc2F)n1
Show InChI InChI=1S/C20H14FN7OS/c21-14-4-2-1-3-12(14)11-28-17(15-5-7-29-27-15)9-16(26-28)19-24-10-13(18(22)25-19)20-23-6-8-30-20/h1-10H,11H2,(H2,22,24,25)
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n/an/an/an/a 2.00E+5n/an/an/an/a



Ironwood Pharmaceuticals, Inc.

US Patent


Assay Description
Human embryonic kidney cells (HEK293), endogenously expressing soluble guanylate cyclase (sGC), were used to evaluate the activity of test compounds....


US Patent US10189809 (2019)

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


(Homo sapiens (Human))
BDBM323842
PNG
(US10189809, Compound I-109)
Show SMILES Nc1nc(ncc1F)-c1cc(-c2ccon2)n(Cc2ccccc2F)n1
Show InChI InChI=1S/C17H12F2N6O/c18-11-4-2-1-3-10(11)9-25-15(13-5-6-26-24-13)7-14(23-25)17-21-8-12(19)16(20)22-17/h1-8H,9H2,(H2,20,21,22)
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Ironwood Pharmaceuticals, Inc.

US Patent


Assay Description
Human embryonic kidney cells (HEK293), endogenously expressing soluble guanylate cyclase (sGC), were used to evaluate the activity of test compounds....


US Patent US10189809 (2019)

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


(Homo sapiens (Human))
BDBM323843
PNG
(US10189809, Compound I-110)
Show SMILES Oc1nc(ncc1C#N)-c1cc(-c2ccon2)n(Cc2ccccc2F)n1
Show InChI InChI=1S/C18H11FN6O2/c19-13-4-2-1-3-11(13)10-25-16(14-5-6-27-24-14)7-15(23-25)17-21-9-12(8-20)18(26)22-17/h1-7,9H,10H2,(H,21,22,26)
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Ironwood Pharmaceuticals, Inc.

US Patent


Assay Description
Human embryonic kidney cells (HEK293), endogenously expressing soluble guanylate cyclase (sGC), were used to evaluate the activity of test compounds....


US Patent US10189809 (2019)

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


(Homo sapiens (Human))
BDBM323844
PNG
(US10189809, Compound I-111)
Show SMILES Cc1cc(N)nc(n1)-c1cc(-c2ccon2)n(Cc2ccccc2F)n1
Show InChI InChI=1S/C18H15FN6O/c1-11-8-17(20)22-18(21-11)15-9-16(14-6-7-26-24-14)25(23-15)10-12-4-2-3-5-13(12)19/h2-9H,10H2,1H3,(H2,20,21,22)
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n/an/an/an/a 3.00E+4n/an/an/an/a



Ironwood Pharmaceuticals, Inc.

US Patent


Assay Description
Human embryonic kidney cells (HEK293), endogenously expressing soluble guanylate cyclase (sGC), were used to evaluate the activity of test compounds....


US Patent US10189809 (2019)

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


(Homo sapiens (Human))
BDBM323845
PNG
(US10189809, Compound I-112 | US10189809, Compound ...)
Show SMILES CC(=O)Nc1cnc(nc1N)-c1cc(-c2ccon2)n(Cc2ccccc2F)n1
Show InChI InChI=1S/C19H16FN7O2/c1-11(28)23-16-9-22-19(24-18(16)21)15-8-17(14-6-7-29-26-14)27(25-15)10-12-4-2-3-5-13(12)20/h2-9H,10H2,1H3,(H,23,28)(H2,21,22,24)
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Ironwood Pharmaceuticals, Inc.

US Patent


Assay Description
Human embryonic kidney cells (HEK293), endogenously expressing soluble guanylate cyclase (sGC), were used to evaluate the activity of test compounds....


US Patent US10189809 (2019)

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


(Homo sapiens (Human))
BDBM323846
PNG
(US10189809, Compound I-113)
Show SMILES Nc1nc(ncc1C(F)(F)F)-c1cc(-c2ccon2)n(Cc2ccccc2F)n1
Show InChI InChI=1S/C18H12F4N6O/c19-12-4-2-1-3-10(12)9-28-15(13-5-6-29-27-13)7-14(26-28)17-24-8-11(16(23)25-17)18(20,21)22/h1-8H,9H2,(H2,23,24,25)
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n/an/an/an/a 8.00E+4n/an/an/an/a



Ironwood Pharmaceuticals, Inc.

US Patent


Assay Description
Human embryonic kidney cells (HEK293), endogenously expressing soluble guanylate cyclase (sGC), were used to evaluate the activity of test compounds....


US Patent US10189809 (2019)

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


(Homo sapiens (Human))
BDBM323847
PNG
(US10189809, Compound I-114)
Show SMILES CC(C)(C)c1cnc(nc1N)-c1cc(-c2ccon2)n(Cc2ccccc2F)n1
Show InChI InChI=1S/C21H21FN6O/c1-21(2,3)14-11-24-20(25-19(14)23)17-10-18(16-8-9-29-27-16)28(26-17)12-13-6-4-5-7-15(13)22/h4-11H,12H2,1-3H3,(H2,23,24,25)
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Ironwood Pharmaceuticals, Inc.

US Patent


Assay Description
Human embryonic kidney cells (HEK293), endogenously expressing soluble guanylate cyclase (sGC), were used to evaluate the activity of test compounds....


US Patent US10189809 (2019)

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


(Homo sapiens (Human))
BDBM323848
PNG
(US10189809, Compound I-115)
Show SMILES CN(C(=O)OC(C)(C)C)c1cnc(nc1N)-c1cc(-c2ccon2)n(Cc2ccccc2F)n1
Show InChI InChI=1S/C23H24FN7O3/c1-23(2,3)34-22(32)30(4)19-12-26-21(27-20(19)25)17-11-18(16-9-10-33-29-16)31(28-17)13-14-7-5-6-8-15(14)24/h5-12H,13H2,1-4H3,(H2,25,26,27)
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Ironwood Pharmaceuticals, Inc.

US Patent


Assay Description
Human embryonic kidney cells (HEK293), endogenously expressing soluble guanylate cyclase (sGC), were used to evaluate the activity of test compounds....


US Patent US10189809 (2019)

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


(Homo sapiens (Human))
BDBM323849
PNG
(US10189809, Compound I-116)
Show SMILES Nc1cc(nc(n1)-c1cc(-c2ccon2)n(Cc2ccccc2F)n1)-c1cccnc1
Show InChI InChI=1S/C22H16FN7O/c23-16-6-2-1-4-15(16)13-30-20(17-7-9-31-29-17)10-19(28-30)22-26-18(11-21(24)27-22)14-5-3-8-25-12-14/h1-12H,13H2,(H2,24,26,27)
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n/an/an/an/a 3.00E+4n/an/an/an/a



Ironwood Pharmaceuticals, Inc.

US Patent


Assay Description
Human embryonic kidney cells (HEK293), endogenously expressing soluble guanylate cyclase (sGC), were used to evaluate the activity of test compounds....


US Patent US10189809 (2019)

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


(Homo sapiens (Human))
BDBM323850
PNG
(US10189809, Compound I-118)
Show SMILES Nc1nc(ncc1C1(CC1)OCC=C)-c1cc(-c2ccon2)n(Cc2ccccc2F)n1
Show InChI InChI=1S/C23H21FN6O2/c1-2-10-31-23(8-9-23)16-13-26-22(27-21(16)25)19-12-20(18-7-11-32-29-18)30(28-19)14-15-5-3-4-6-17(15)24/h2-7,11-13H,1,8-10,14H2,(H2,25,26,27)
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n/an/an/an/a 8.00E+4n/an/an/an/a



Ironwood Pharmaceuticals, Inc.

US Patent


Assay Description
Human embryonic kidney cells (HEK293), endogenously expressing soluble guanylate cyclase (sGC), were used to evaluate the activity of test compounds....


US Patent US10189809 (2019)

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


(Homo sapiens (Human))
BDBM323851
PNG
(US10189809, Compound I-119)
Show SMILES Nc1nc(ncc1C1(O)CC1)-c1cc(-c2ccon2)n(Cc2ccccc2F)n1
Show InChI InChI=1S/C20H17FN6O2/c21-14-4-2-1-3-12(14)11-27-17(15-5-8-29-26-15)9-16(25-27)19-23-10-13(18(22)24-19)20(28)6-7-20/h1-5,8-10,28H,6-7,11H2,(H2,22,23,24)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a<2.00E+4n/an/an/an/a



Ironwood Pharmaceuticals, Inc.

US Patent


Assay Description
Human embryonic kidney cells (HEK293), endogenously expressing soluble guanylate cyclase (sGC), were used to evaluate the activity of test compounds....


US Patent US10189809 (2019)

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


(Homo sapiens (Human))
BDBM323852
PNG
(US10189809, Compound I-121)
Show SMILES Nc1nc(ncc1-c1ccsc1)-c1cc(-c2ccon2)n(Cc2ccccc2F)n1
Show InChI InChI=1S/C21H15FN6OS/c22-16-4-2-1-3-13(16)11-28-19(17-5-7-29-27-17)9-18(26-28)21-24-10-15(20(23)25-21)14-6-8-30-12-14/h1-10,12H,11H2,(H2,23,24,25)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 3.00E+4n/an/an/an/a



Ironwood Pharmaceuticals, Inc.

US Patent


Assay Description
Human embryonic kidney cells (HEK293), endogenously expressing soluble guanylate cyclase (sGC), were used to evaluate the activity of test compounds....


US Patent US10189809 (2019)

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


(Homo sapiens (Human))
BDBM323853
PNG
(US10189809, Compound I-122)
Show SMILES Nc1nc(ncc1-c1ccccc1)-c1cc(-c2ccon2)n(Cc2ccccc2F)n1
Show InChI InChI=1S/C23H17FN6O/c24-18-9-5-4-8-16(18)14-30-21(19-10-11-31-29-19)12-20(28-30)23-26-13-17(22(25)27-23)15-6-2-1-3-7-15/h1-13H,14H2,(H2,25,26,27)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 3.00E+4n/an/an/an/a



Ironwood Pharmaceuticals, Inc.

US Patent


Assay Description
Human embryonic kidney cells (HEK293), endogenously expressing soluble guanylate cyclase (sGC), were used to evaluate the activity of test compounds....


US Patent US10189809 (2019)

More data for this
Ligand-Target Pair
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