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Patent code US10183021

Compile Data Set for Download or QSAR

Found 388 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))
BDBM321858
PNG
(US10183021, Compound I-588)
Show SMILES CS(=O)(=O)CCC(Nc1nc(ncc1F)-c1cc(-c2ccon2)n(Cc2ccccc2F)n1)C(F)(F)F
Show InChI InChI=1S/C22H19F5N6O3S/c1-37(34,35)9-7-19(22(25,26)27)29-20-15(24)11-28-21(30-20)17-10-18(16-6-8-36-32-16)33(31-17)12-13-4-2-3-5-14(13)23/h2-6,8,10-11,19H,7,9,12H2,1H3,(H,28,29,30)
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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 US10183021 (2019)

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


(Homo sapiens (Human))
BDBM321662
PNG
(US10183021, Compound I-357)
Show SMILES OC(C1CN(C1)c1nc(ncc1F)-c1cc(-c2ccon2)n(Cc2ccccc2F)n1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H16F8N6O2/c24-14-4-2-1-3-12(14)9-37-18(16-5-6-39-35-16)7-17(34-37)19-32-8-15(25)20(33-19)36-10-13(11-36)21(38,22(26,27)28)23(29,30)31/h1-8,13,38H,9-11H2
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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 US10183021 (2019)

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


(Homo sapiens (Human))
BDBM321674
PNG
(US10183021, Compound I-500)
Show SMILES OC(CNc1ccnc(n1)-c1cc(-c2ccon2)n(Cc2ccccc2F)n1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C21H15F7N6O2/c22-13-4-2-1-3-12(13)10-34-16(14-6-8-36-33-14)9-15(32-34)18-29-7-5-17(31-18)30-11-19(35,20(23,24)25)21(26,27)28/h1-9,35H,10-11H2,(H,29,30,31)
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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 US10183021 (2019)

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


(Homo sapiens (Human))
BDBM321680
PNG
(US10183021, Compound I-503)
Show SMILES Fc1ccccc1Cn1nc(cc1-c1ccon1)-c1ncc(F)c(n1)N1CCCS1(=O)=O
Show InChI InChI=1S/C20H16F2N6O3S/c21-14-5-2-1-4-13(14)12-27-18(16-6-8-31-26-16)10-17(25-27)19-23-11-15(22)20(24-19)28-7-3-9-32(28,29)30/h1-2,4-6,8,10-11H,3,7,9,12H2
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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 US10183021 (2019)

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


(Homo sapiens (Human))
BDBM321682
PNG
(US10183021, Compound I-504)
Show SMILES Fc1ccccc1Cn1nc(cc1-c1ccon1)-c1nccc(n1)N1C(COC1=O)C(F)(F)F
Show InChI InChI=1S/C21H14F4N6O3/c22-13-4-2-1-3-12(13)10-30-16(14-6-8-34-29-14)9-15(28-30)19-26-7-5-18(27-19)31-17(21(23,24)25)11-33-20(31)32/h1-9,17H,10-11H2
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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 US10183021 (2019)

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


(Homo sapiens (Human))
BDBM321687
PNG
(US10183021, Compound I-460)
Show SMILES Fc1ccccc1Cn1nc(cc1-c1ccon1)-c1ncc(F)c(NC(=O)C2(CC2)C#N)n1
Show InChI InChI=1S/C22H15F2N7O2/c23-14-4-2-1-3-13(14)11-31-18(16-5-8-33-30-16)9-17(29-31)20-26-10-15(24)19(27-20)28-21(32)22(12-25)6-7-22/h1-5,8-10H,6-7,11H2,(H,26,27,28,32)
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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 US10183021 (2019)

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


(Homo sapiens (Human))
BDBM321697
PNG
(US10183021, Compound I-465)
Show SMILES Fc1ccccc1Cn1nc(cc1-c1ccon1)-c1ncc(F)c(NC(=O)C(F)(F)F)n1
Show InChI InChI=1S/C19H11F5N6O2/c20-11-4-2-1-3-10(11)9-30-15(13-5-6-32-29-13)7-14(28-30)17-25-8-12(21)16(26-17)27-18(31)19(22,23)24/h1-8H,9H2,(H,25,26,27,31)
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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 US10183021 (2019)

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


(Homo sapiens (Human))
BDBM321698
PNG
(US10183021, Compound I-445)
Show SMILES Fc1ccccc1Cn1nc(cc1-c1ccon1)-c1ncc(F)c(NS(=O)(=O)CCC(F)(F)F)n1
Show InChI InChI=1S/C20H15F5N6O3S/c21-13-4-2-1-3-12(13)11-31-17(15-5-7-34-29-15)9-16(28-31)19-26-10-14(22)18(27-19)30-35(32,33)8-6-20(23,24)25/h1-5,7,9-10H,6,8,11H2,(H,26,27,30)
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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 US10183021 (2019)

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


(Homo sapiens (Human))
BDBM321723
PNG
(US10183021, Compound I-479)
Show SMILES COCCS(=O)(=O)Nc1ccnc(n1)-c1cc(-c2ccon2)n(Cc2ccccc2F)n1
Show InChI InChI=1S/C20H19FN6O4S/c1-30-10-11-32(28,29)26-19-6-8-22-20(23-19)17-12-18(16-7-9-31-25-16)27(24-17)13-14-4-2-3-5-15(14)21/h2-9,12H,10-11,13H2,1H3,(H,22,23,26)
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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 US10183021 (2019)

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


(Homo sapiens (Human))
BDBM321727
PNG
(US10183021, Compound I-481)
Show SMILES CN(CC1(CC1)C(O)=O)c1nc(ncc1F)-c1cc(C(N)=O)n(Cc2ccccc2F)n1
Show InChI InChI=1S/C21H20F2N6O3/c1-28(11-21(6-7-21)20(31)32)19-14(23)9-25-18(26-19)15-8-16(17(24)30)29(27-15)10-12-4-2-3-5-13(12)22/h2-5,8-9H,6-7,10-11H2,1H3,(H2,24,30)(H,31,32)
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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 US10183021 (2019)

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


(Homo sapiens (Human))
BDBM321588
PNG
(US10183021, Compound I-407 | US10183021, Compound ...)
Show SMILES OCCNc1nc(ncc1F)-c1cc(-c2ccon2)n(Cc2ccccc2F)n1
Show InChI InChI=1S/C19H16F2N6O2/c20-13-4-2-1-3-12(13)11-27-17(15-5-8-29-26-15)9-16(25-27)19-23-10-14(21)18(24-19)22-6-7-28/h1-5,8-10,28H,6-7,11H2,(H,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 US10183021 (2019)

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


(Homo sapiens (Human))
BDBM321795
PNG
(US10183021, Compound I-609)
Show SMILES Fc1ccccc1Cn1nc(cc1-c1ccon1)-c1ncc(F)c(NS(=O)(=O)CC(F)(F)F)n1
Show InChI InChI=1S/C19H13F5N6O3S/c20-12-4-2-1-3-11(12)9-30-16(14-5-6-33-28-14)7-15(27-30)18-25-8-13(21)17(26-18)29-34(31,32)10-19(22,23)24/h1-8H,9-10H2,(H,25,26,29)
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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 US10183021 (2019)

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


(Homo sapiens (Human))
BDBM321805
PNG
(US10183021, Compound I-614)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)Nc1nc(ncc1F)-c1cc(-c2ccon2)n(Cc2ccccc2F)n1
Show InChI InChI=1S/C25H20F2N6O5S/c1-36-22-8-7-16(11-23(22)37-2)39(34,35)32-24-18(27)13-28-25(29-24)20-12-21(19-9-10-38-31-19)33(30-20)14-15-5-3-4-6-17(15)26/h3-13H,14H2,1-2H3,(H,28,29,32)
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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 US10183021 (2019)

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


(Homo sapiens (Human))
BDBM321808
PNG
(US10183021, Compound I-565)
Show SMILES CC(=O)OC(C(=O)Nc1ccnc(n1)-c1cc(-c2ccon2)n(Cc2ccccc2F)n1)c1ccccc1
Show InChI InChI=1S/C27H21FN6O4/c1-17(35)38-25(18-7-3-2-4-8-18)27(36)31-24-11-13-29-26(30-24)22-15-23(21-12-14-37-33-21)34(32-22)16-19-9-5-6-10-20(19)28/h2-15,25H,16H2,1H3,(H,29,30,31,36)
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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 US10183021 (2019)

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


(Homo sapiens (Human))
BDBM321814
PNG
(US10183021, Compound I-568)
Show SMILES COC(=O)NCC(Nc1nc(ncc1F)-c1cc(-c2ccon2)n(Cc2ccccc2F)n1)C(F)(F)F
Show InChI InChI=1S/C22H18F5N7O3/c1-36-21(35)29-10-18(22(25,26)27)30-19-14(24)9-28-20(31-19)16-8-17(15-6-7-37-33-15)34(32-16)11-12-4-2-3-5-13(12)23/h2-9,18H,10-11H2,1H3,(H,29,35)(H,28,30,31)
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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 US10183021 (2019)

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


(Homo sapiens (Human))
BDBM321824
PNG
(US10183021, Compound I-571)
Show SMILES Cc1cn(CC(=O)Nc2ccnc(n2)-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)c(=O)[nH]c1=O
Show InChI InChI=1S/C24H19FN8O4/c1-14-11-32(24(36)29-23(14)35)13-21(34)27-20-6-8-26-22(28-20)18-10-19(17-7-9-37-31-17)33(30-18)12-15-4-2-3-5-16(15)25/h2-11H,12-13H2,1H3,(H,29,35,36)(H,26,27,28,34)
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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 US10183021 (2019)

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


(Homo sapiens (Human))
BDBM321828
PNG
(US10183021, Compound I-573)
Show SMILES CS(=O)(=O)CCC(=O)Nc1ccnc(n1)-c1cc(-c2ccon2)n(Cc2ccccc2F)n1
Show InChI InChI=1S/C21H19FN6O4S/c1-33(30,31)11-8-20(29)24-19-6-9-23-21(25-19)17-12-18(16-7-10-32-27-16)28(26-17)13-14-4-2-3-5-15(14)22/h2-7,9-10,12H,8,11,13H2,1H3,(H,23,24,25,29)
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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 US10183021 (2019)

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


(Homo sapiens (Human))
BDBM321831
PNG
(US10183021, Compound I-627)
Show SMILES NC(=O)C(O)(CNc1ccnc(n1)-c1cc(-c2ccon2)n(Cc2ccccc2F)n1)C(F)(F)F
Show InChI InChI=1S/C21H17F4N7O3/c22-13-4-2-1-3-12(13)10-32-16(14-6-8-35-31-14)9-15(30-32)18-27-7-5-17(29-18)28-11-20(34,19(26)33)21(23,24)25/h1-9,34H,10-11H2,(H2,26,33)(H,27,28,29)
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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 US10183021 (2019)

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


(Homo sapiens (Human))
BDBM321843
PNG
(US10183021, Compound I-632)
Show SMILES Nc1nc(nc2CS(=O)(=O)Cc12)-c1cc(-c2ccon2)n(Cc2ccccc2F)n1
Show InChI InChI=1S/C19H15FN6O3S/c20-13-4-2-1-3-11(13)8-26-17(14-5-6-29-25-14)7-15(24-26)19-22-16-10-30(27,28)9-12(16)18(21)23-19/h1-7H,8-10H2,(H2,21,22,23)
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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 US10183021 (2019)

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


(Homo sapiens (Human))
BDBM321851
PNG
(US10183021, Compound I-593)
Show SMILES Fc1ccccc1Cn1nc(cc1-c1ccon1)-c1nccc(NC(=O)CS(=O)(=O)c2ccc(Cl)cc2)n1
Show InChI InChI=1S/C25H18ClFN6O4S/c26-17-5-7-18(8-6-17)38(35,36)15-24(34)29-23-9-11-28-25(30-23)21-13-22(20-10-12-37-32-20)33(31-21)14-16-3-1-2-4-19(16)27/h1-13H,14-15H2,(H,28,29,30,34)
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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 US10183021 (2019)

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


(Homo sapiens (Human))
BDBM321852
PNG
(US10183021, Compound I-585)
Show SMILES CC(C)NC(=O)NCC(=O)Nc1ccnc(n1)-c1cc(-c2ccon2)n(Cc2ccccc2F)n1
Show InChI InChI=1S/C23H23FN8O3/c1-14(2)27-23(34)26-12-21(33)28-20-7-9-25-22(29-20)18-11-19(17-8-10-35-31-17)32(30-18)13-15-5-3-4-6-16(15)24/h3-11,14H,12-13H2,1-2H3,(H2,26,27,34)(H,25,28,29,33)
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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 US10183021 (2019)

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


(Homo sapiens (Human))
BDBM321491
PNG
(US10183021, Compound I-35)
Show SMILES CC(C)(C)OC(=O)NC1CCN(C1)c1nc(ncc1F)-c1cc(-c2ccon2)n(Cc2ccccc2F)n1
Show InChI InChI=1S/C26H27F2N7O3/c1-26(2,3)38-25(36)30-17-8-10-34(15-17)24-19(28)13-29-23(31-24)21-12-22(20-9-11-37-33-20)35(32-21)14-16-6-4-5-7-18(16)27/h4-7,9,11-13,17H,8,10,14-15H2,1-3H3,(H,30,36)
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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 US10183021 (2019)

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


(Homo sapiens (Human))
BDBM321493
PNG
(US10183021, Compound I-39)
Show SMILES Fc1ccccc1Cn1nc(cc1-c1ccon1)-c1ncc(F)c(NC2CCCNC2)n1
Show InChI InChI=1S/C22H21F2N7O/c23-16-6-2-1-4-14(16)13-31-20(18-7-9-32-30-18)10-19(29-31)22-26-12-17(24)21(28-22)27-15-5-3-8-25-11-15/h1-2,4,6-7,9-10,12,15,25H,3,5,8,11,13H2,(H,26,27,28)
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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 US10183021 (2019)

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


(Homo sapiens (Human))
BDBM321502
PNG
(US10183021, Compound I-300)
Show SMILES OC(=O)C1(O)CCN(CC1)c1nc(ncc1F)-c1cc(-c2ccon2)n(Cc2ccccc2F)n1
Show InChI InChI=1S/C23H20F2N6O4/c24-15-4-2-1-3-14(15)13-31-19(17-5-10-35-29-17)11-18(28-31)20-26-12-16(25)21(27-20)30-8-6-23(34,7-9-30)22(32)33/h1-5,10-12,34H,6-9,13H2,(H,32,33)
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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 US10183021 (2019)

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


(Homo sapiens (Human))
BDBM321503
PNG
(US10183021, Compound I-59)
Show SMILES Fc1ccccc1Cn1nc(cc1-c1ccon1)-c1ncc(F)c(n1)N1CCNC(=O)C1
Show InChI InChI=1S/C21H17F2N7O2/c22-14-4-2-1-3-13(14)11-30-18(16-5-8-32-28-16)9-17(27-30)20-25-10-15(23)21(26-20)29-7-6-24-19(31)12-29/h1-5,8-10H,6-7,11-12H2,(H,24,31)
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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 US10183021 (2019)

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


(Homo sapiens (Human))
BDBM321506
PNG
(US10183021, Compound I-306)
Show SMILES CC(C)C1(CCN(CC1)c1nc(ncc1F)-c1cc(-c2ccon2)n(Cc2ccccc2F)n1)C(O)=O
Show InChI InChI=1S/C26H26F2N6O3/c1-16(2)26(25(35)36)8-10-33(11-9-26)24-19(28)14-29-23(30-24)21-13-22(20-7-12-37-32-20)34(31-21)15-17-5-3-4-6-18(17)27/h3-7,12-14,16H,8-11,15H2,1-2H3,(H,35,36)
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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 US10183021 (2019)

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


(Homo sapiens (Human))
BDBM321514
PNG
(US10183021, Compound I-258)
Show SMILES CC(C)[C@H](Nc1nc(ncc1F)-c1cc(-c2ccon2)n(Cc2ccccc2F)n1)C(=O)NS(=O)(=O)C1CC1
Show InChI InChI=1S/C25H25F2N7O4S/c1-14(2)22(25(35)33-39(36,37)16-7-8-16)29-23-18(27)12-28-24(30-23)20-11-21(19-9-10-38-32-19)34(31-20)13-15-5-3-4-6-17(15)26/h3-6,9-12,14,16,22H,7-8,13H2,1-2H3,(H,33,35)(H,28,29,30)/t22-/m0/s1
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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 US10183021 (2019)

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


(Homo sapiens (Human))
BDBM321515
PNG
(US10183021, Compound I-89)
Show SMILES CC(C)[C@H](N(C)c1nc(ncc1F)-c1cc(-c2ccon2)n(Cc2ccccc2F)n1)C(O)=O
Show InChI InChI=1S/C23H22F2N6O3/c1-13(2)20(23(32)33)30(3)22-16(25)11-26-21(27-22)18-10-19(17-8-9-34-29-17)31(28-18)12-14-6-4-5-7-15(14)24/h4-11,13,20H,12H2,1-3H3,(H,32,33)/t20-/m0/s1
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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 US10183021 (2019)

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


(Homo sapiens (Human))
BDBM321518
PNG
(US10183021, Compound I-363)
Show SMILES OS(=O)(=O)C1CCN(CC1)c1nc(ncc1F)-c1cc(-c2ccon2)n(Cc2ccccc2F)n1
Show InChI InChI=1S/C22H20F2N6O4S/c23-16-4-2-1-3-14(16)13-30-20(18-7-10-34-28-18)11-19(27-30)21-25-12-17(24)22(26-21)29-8-5-15(6-9-29)35(31,32)33/h1-4,7,10-12,15H,5-6,8-9,13H2,(H,31,32,33)
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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 US10183021 (2019)

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


(Homo sapiens (Human))
BDBM321526
PNG
(US10183021, Compound I-455)
Show SMILES CC[C@H]1CCCN([C@H]1C(O)=O)c1nc(ncc1F)-c1cc(-c2ccon2)n(Cc2ccccc2F)n1
Show InChI InChI=1S/C25H24F2N6O3/c1-2-15-7-5-10-32(22(15)25(34)35)24-18(27)13-28-23(29-24)20-12-21(19-9-11-36-31-19)33(30-20)14-16-6-3-4-8-17(16)26/h3-4,6,8-9,11-13,15,22H,2,5,7,10,14H2,1H3,(H,34,35)/t15-,22+/m0/s1
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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 US10183021 (2019)

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


(Homo sapiens (Human))
BDBM321530
PNG
(US10183021, Compound I-368)
Show SMILES CN(CCS(O)(=O)=O)c1nc(ncc1F)-c1cc(-c2ccon2)n(Cc2ccccc2F)n1
Show InChI InChI=1S/C20H18F2N6O4S/c1-27(7-9-33(29,30)31)20-15(22)11-23-19(24-20)17-10-18(16-6-8-32-26-16)28(25-17)12-13-4-2-3-5-14(13)21/h2-6,8,10-11H,7,9,12H2,1H3,(H,29,30,31)
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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 US10183021 (2019)

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


(Homo sapiens (Human))
BDBM321536
PNG
(US10183021, Compound I-268)
Show SMILES CC1(C)CCC(N(C1)c1nc(ncc1F)-c1cc(-c2ccon2)n(Cc2ccccc2F)n1)C(O)=O
Show InChI InChI=1S/C25H24F2N6O3/c1-25(2)9-7-20(24(34)35)32(14-25)23-17(27)12-28-22(29-23)19-11-21(18-8-10-36-31-18)33(30-19)13-15-5-3-4-6-16(15)26/h3-6,8,10-12,20H,7,9,13-14H2,1-2H3,(H,34,35)
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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 US10183021 (2019)

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


(Homo sapiens (Human))
BDBM321537
PNG
(US10183021, Compound I-129)
Show SMILES OC(=O)C1(CNc2nc(ncc2F)-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)CCCC1
Show InChI InChI=1S/C24H22F2N6O3/c25-16-6-2-1-5-15(16)13-32-20(18-7-10-35-31-18)11-19(30-32)22-27-12-17(26)21(29-22)28-14-24(23(33)34)8-3-4-9-24/h1-2,5-7,10-12H,3-4,8-9,13-14H2,(H,33,34)(H,27,28,29)
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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 US10183021 (2019)

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


(Homo sapiens (Human))
BDBM321567
PNG
(US10183021, Compound I-341)
Show SMILES C[C@H]1CCCN([C@H]1c1nn[nH]n1)c1nc(ncc1F)-c1cc(-c2ccon2)n(Cc2ccccc2F)n1
Show InChI InChI=1S/C24H22F2N10O/c1-14-5-4-9-35(21(14)23-29-33-34-30-23)24-17(26)12-27-22(28-24)19-11-20(18-8-10-37-32-18)36(31-19)13-15-6-2-3-7-16(15)25/h2-3,6-8,10-12,14,21H,4-5,9,13H2,1H3,(H,29,30,33,34)/t14-,21+/m0/s1
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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 US10183021 (2019)

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


(Homo sapiens (Human))
BDBM321581
PNG
(US10183021, Compound I-449)
Show SMILES OC(=O)CCCCNc1nc(ncc1F)-c1cc(-c2ccon2)n(Cc2ccccc2F)n1
Show InChI InChI=1S/C22H20F2N6O3/c23-15-6-2-1-5-14(15)13-30-19(17-8-10-33-29-17)11-18(28-30)22-26-12-16(24)21(27-22)25-9-4-3-7-20(31)32/h1-2,5-6,8,10-12H,3-4,7,9,13H2,(H,31,32)(H,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 US10183021 (2019)

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


(Homo sapiens (Human))
BDBM321592
PNG
(US10183021, Compound I-410)
Show SMILES Cc1cc(nn1Cc1ccccc1F)-c1ncc(F)c(=O)[nH]1
Show InChI InChI=1S/C15H12F2N4O/c1-9-6-13(14-18-7-12(17)15(22)19-14)20-21(9)8-10-4-2-3-5-11(10)16/h2-7H,8H2,1H3,(H,18,19,22)
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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 US10183021 (2019)

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


(Homo sapiens (Human))
BDBM321597
PNG
(US10183021, Compound I-331)
Show SMILES C[C@H]1CCCN([C@H]1C(=O)NS(=O)(=O)C1CC1)c1nc(ncc1F)-c1cc(-c2ccon2)n(Cc2ccccc2F)n1
Show InChI InChI=1S/C27H27F2N7O4S/c1-16-5-4-11-35(24(16)27(37)34-41(38,39)18-8-9-18)26-20(29)14-30-25(31-26)22-13-23(21-10-12-40-33-21)36(32-22)15-17-6-2-3-7-19(17)28/h2-3,6-7,10,12-14,16,18,24H,4-5,8-9,11,15H2,1H3,(H,34,37)/t16-,24+/m0/s1
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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 US10183021 (2019)

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


(Homo sapiens (Human))
BDBM321601
PNG
(US10183021, Compound I-344)
Show SMILES CC(C)[C@H](CN(C)c1nc(ncc1F)-c1cc(-c2ccon2)n(Cc2ccccc2F)n1)NS(=O)(=O)C1CC1
Show InChI InChI=1S/C26H29F2N7O3S/c1-16(2)23(33-39(36,37)18-8-9-18)15-34(3)26-20(28)13-29-25(30-26)22-12-24(21-10-11-38-32-21)35(31-22)14-17-6-4-5-7-19(17)27/h4-7,10-13,16,18,23,33H,8-9,14-15H2,1-3H3/t23-/m0/s1
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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 US10183021 (2019)

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


(Homo sapiens (Human))
BDBM321611
PNG
(US10183021, Compound I-384)
Show SMILES OC(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1Nc1nc(ncc1F)-c1cc(-c2ccon2)n(Cc2ccccc2F)n1
Show InChI InChI=1S/C24H20F2N6O4/c25-13-4-2-1-3-12(13)11-32-17(15-7-8-35-31-15)9-16(30-32)23-27-10-14(26)22(29-23)28-21-19-6-5-18(36-19)20(21)24(33)34/h1-4,7-10,18-21H,5-6,11H2,(H,33,34)(H,27,28,29)/t18-,19+,20-,21+/m1/s1
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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 US10183021 (2019)

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


(Homo sapiens (Human))
BDBM321612
PNG
(US10183021, Compound I-323)
Show SMILES CC(C)N(C[C@H](O)CO)c1nc(ncc1F)-c1cc(-c2ccon2)n(Cc2ccccc2F)n1
Show InChI InChI=1S/C23H24F2N6O3/c1-14(2)30(12-16(33)13-32)23-18(25)10-26-22(27-23)20-9-21(19-7-8-34-29-19)31(28-20)11-15-5-3-4-6-17(15)24/h3-10,14,16,32-33H,11-13H2,1-2H3/t16-/m0/s1
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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 US10183021 (2019)

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


(Homo sapiens (Human))
BDBM321622
PNG
(US10183021, Compound I-397)
Show SMILES OC1(CNc2nc(ncc2F)-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)CCOCC1
Show InChI InChI=1S/C23H22F2N6O3/c24-16-4-2-1-3-15(16)13-31-20(18-5-8-34-30-18)11-19(29-31)22-26-12-17(25)21(28-22)27-14-23(32)6-9-33-10-7-23/h1-5,8,11-12,32H,6-7,9-10,13-14H2,(H,26,27,28)
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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 US10183021 (2019)

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


(Homo sapiens (Human))
BDBM321627
PNG
(US10183021, Compound I-388)
Show SMILES Fc1ccccc1Cn1nc(cc1-c1ccon1)-c1ncc(F)c(n1)N1CC(C1)NS(=O)(=O)C(F)(F)F
Show InChI InChI=1S/C21H16F5N7O3S/c22-14-4-2-1-3-12(14)9-33-18(16-5-6-36-30-16)7-17(29-33)19-27-8-15(23)20(28-19)32-10-13(11-32)31-37(34,35)21(24,25)26/h1-8,13,31H,9-11H2
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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 US10183021 (2019)

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


(Homo sapiens (Human))
BDBM321637
PNG
(US10183021, Compound I-390)
Show SMILES CC(C)(C)OC(=O)NCCNc1nc(ncc1F)-c1cc(-c2ccon2)n(Cc2ccccc2F)n1
Show InChI InChI=1S/C24H25F2N7O3/c1-24(2,3)36-23(34)28-10-9-27-21-17(26)13-29-22(30-21)19-12-20(18-8-11-35-32-18)33(31-19)14-15-6-4-5-7-16(15)25/h4-8,11-13H,9-10,14H2,1-3H3,(H,28,34)(H,27,29,30)
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n/an/an/an/a<100n/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 US10183021 (2019)

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


(Homo sapiens (Human))
BDBM321641
PNG
(US10183021, Compound I-316)
Show SMILES OC[C@H](O)CNc1nc(ncc1F)-c1cc(-c2ccon2)n(Cc2ccccc2F)n1
Show InChI InChI=1S/C20H18F2N6O3/c21-14-4-2-1-3-12(14)10-28-18(16-5-6-31-27-16)7-17(26-28)20-24-9-15(22)19(25-20)23-8-13(30)11-29/h1-7,9,13,29-30H,8,10-11H2,(H,23,24,25)/t13-/m1/s1
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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 US10183021 (2019)

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


(Homo sapiens (Human))
BDBM321857
PNG
(US10183021, Compound I-596)
Show SMILES Fc1ccccc1Cn1nc(cc1-c1ccon1)-c1nccc(NC(=O)CN2C(=O)c3ccccc3C2=O)n1
Show InChI InChI=1S/C27H18FN7O4/c28-19-8-4-1-5-16(19)14-35-22(20-10-12-39-33-20)13-21(32-35)25-29-11-9-23(31-25)30-24(36)15-34-26(37)17-6-2-3-7-18(17)27(34)38/h1-13H,14-15H2,(H,29,30,31,36)
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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 US10183021 (2019)

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


(Homo sapiens (Human))
BDBM321656
PNG
(US10183021, Compound I-401)
Show SMILES COC(=O)[C@@H]1CCC(=O)N1c1nc(ncc1F)-c1cc(-c2ccon2)n(Cc2ccccc2F)n1
Show InChI InChI=1S/C23H18F2N6O4/c1-34-23(33)18-6-7-20(32)31(18)22-15(25)11-26-21(27-22)17-10-19(16-8-9-35-29-16)30(28-17)12-13-4-2-3-5-14(13)24/h2-5,8-11,18H,6-7,12H2,1H3/t18-/m0/s1
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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 US10183021 (2019)

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


(Homo sapiens (Human))
BDBM321660
PNG
(US10183021, Compound I-412)
Show SMILES C[C@H]1CCCN([C@H]1C(O)=O)c1nc(ncc1F)-c1cc(C)n(Cc2ccccc2F)n1
Show InChI InChI=1S/C22H23F2N5O2/c1-13-6-5-9-28(19(13)22(30)31)21-17(24)11-25-20(26-21)18-10-14(2)29(27-18)12-15-7-3-4-8-16(15)23/h3-4,7-8,10-11,13,19H,5-6,9,12H2,1-2H3,(H,30,31)/t13-,19+/m0/s1
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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 US10183021 (2019)

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


(Homo sapiens (Human))
BDBM321670
PNG
(US10183021, Compound I-328)
Show SMILES Fc1ccccc1Cn1nc(cc1-c1ccon1)-c1nccc(NC(=O)C2(CC2)C(F)(F)F)n1
Show InChI InChI=1S/C22H16F4N6O2/c23-14-4-2-1-3-13(14)12-32-17(15-6-10-34-31-15)11-16(30-32)19-27-9-5-18(28-19)29-20(33)21(7-8-21)22(24,25)26/h1-6,9-11H,7-8,12H2,(H,27,28,29,33)
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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 US10183021 (2019)

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


(Homo sapiens (Human))
BDBM321702
PNG
(US10183021, Compound I-511)
Show SMILES NC(=O)CNc1nc(ncc1F)-c1cc(-c2ccon2)n(CCC(F)(F)F)n1
Show InChI InChI=1S/C15H13F4N7O2/c16-8-6-21-14(23-13(8)22-7-12(20)27)10-5-11(9-1-4-28-25-9)26(24-10)3-2-15(17,18)19/h1,4-6H,2-3,7H2,(H2,20,27)(H,21,22,23)
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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 US10183021 (2019)

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


(Homo sapiens (Human))
BDBM321706
PNG
(US10183021, Compound I-512)
Show SMILES CC1(C)CCC(=O)N1c1nc(ncc1F)-c1cc(-c2ccon2)n(Cc2ccccc2F)n1
Show InChI InChI=1S/C23H20F2N6O2/c1-23(2)9-7-20(32)31(23)22-16(25)12-26-21(27-22)18-11-19(17-8-10-33-29-17)30(28-18)13-14-5-3-4-6-15(14)24/h3-6,8,10-12H,7,9,13H2,1-2H3
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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 US10183021 (2019)

More data for this
Ligand-Target Pair
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