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Compile Data Set for Download or QSAR

Found 606 hits with Last Name = 'mermerian' 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
Ubiquitin carboxyl-terminal hydrolase isozyme L1


(Homo sapiens (Human))
BDBM50411563
PNG
(CHEMBL540117)
Show SMILES Nc1c(sc2[nH]c(=O)c(cc12)C(O)=O)C(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C19H12N2O4S/c20-14-12-8-13(19(24)25)17(23)21-18(12)26-16(14)15(22)11-6-5-9-3-1-2-4-10(9)7-11/h1-8H,20H2,(H,21,23)(H,24,25)
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740n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of UCHL1


Bioorg Med Chem Lett 17: 3729-32 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.027
BindingDB Entry DOI: 10.7270/Q2HT2QJ5
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1


(Homo sapiens (Human))
BDBM50411574
PNG
(CHEMBL553923)
Show SMILES Cc1ccc(cc1)C(=O)c1sc2[nH]c(=O)c(cc2c1N)C(O)=O
Show InChI InChI=1S/C16H12N2O4S/c1-7-2-4-8(5-3-7)12(19)13-11(17)9-6-10(16(21)22)14(20)18-15(9)23-13/h2-6H,17H2,1H3,(H,18,20)(H,21,22)
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910n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of UCHL1


Bioorg Med Chem Lett 17: 3729-32 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.027
BindingDB Entry DOI: 10.7270/Q2HT2QJ5
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1


(Homo sapiens (Human))
BDBM50411577
PNG
(CHEMBL536998)
Show SMILES Nc1c(sc2[nH]c(=O)c(cc12)C(O)=O)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C15H9ClN2O4S/c16-7-3-1-6(2-4-7)11(19)12-10(17)8-5-9(15(21)22)13(20)18-14(8)23-12/h1-5H,17H2,(H,18,20)(H,21,22)
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1.20E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of UCHL1


Bioorg Med Chem Lett 17: 3729-32 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.027
BindingDB Entry DOI: 10.7270/Q2HT2QJ5
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1


(Homo sapiens (Human))
BDBM50411568
PNG
(CHEMBL536764)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)c1sc2[nH]c(=O)c(cc2c1N)C(O)=O
Show InChI InChI=1S/C19H18N2O4S/c1-19(2,3)10-6-4-9(5-7-10)14(22)15-13(20)11-8-12(18(24)25)16(23)21-17(11)26-15/h4-8H,20H2,1-3H3,(H,21,23)(H,24,25)
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1.40E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of UCHL1


Bioorg Med Chem Lett 17: 3729-32 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.027
BindingDB Entry DOI: 10.7270/Q2HT2QJ5
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1


(Homo sapiens (Human))
BDBM50411581
PNG
(CHEMBL537224)
Show SMILES Nc1c(sc2[nH]c(=O)c(cc12)C(O)=O)C(=O)c1cccc2ccccc12
Show InChI InChI=1S/C19H12N2O4S/c20-14-12-8-13(19(24)25)17(23)21-18(12)26-16(14)15(22)11-7-3-5-9-4-1-2-6-10(9)11/h1-8H,20H2,(H,21,23)(H,24,25)
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1.50E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of UCHL1


Bioorg Med Chem Lett 17: 3729-32 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.027
BindingDB Entry DOI: 10.7270/Q2HT2QJ5
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1


(Homo sapiens (Human))
BDBM50411570
PNG
(CHEMBL537225)
Show SMILES Nc1c(sc2[nH]c(=O)c(cc12)C(O)=O)C(=O)C1CCCCC1
Show InChI InChI=1S/C15H16N2O4S/c16-10-8-6-9(15(20)21)13(19)17-14(8)22-12(10)11(18)7-4-2-1-3-5-7/h6-7H,1-5,16H2,(H,17,19)(H,20,21)
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2.00E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of UCHL1


Bioorg Med Chem Lett 17: 3729-32 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.027
BindingDB Entry DOI: 10.7270/Q2HT2QJ5
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1


(Homo sapiens (Human))
BDBM50326016
PNG
(3-amino-2-benzoyl-6-oxo-6,7-dihydrothieno[2,3-b]py...)
Show SMILES Nc1c(sc2[nH]c(=O)c(cc12)C(O)=O)C(=O)c1ccccc1
Show InChI InChI=1S/C15H10N2O4S/c16-10-8-6-9(15(20)21)13(19)17-14(8)22-12(10)11(18)7-4-2-1-3-5-7/h1-6H,16H2,(H,17,19)(H,20,21)
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2.80E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of UCHL1


Bioorg Med Chem Lett 17: 3729-32 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.027
BindingDB Entry DOI: 10.7270/Q2HT2QJ5
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1


(Homo sapiens (Human))
BDBM50411572
PNG
(CHEMBL539345)
Show SMILES Nc1c(sc2[nH]c(=O)c(cc12)C(O)=O)C(=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C16H9F3N2O4S/c17-16(18,19)7-3-1-6(2-4-7)11(22)12-10(20)8-5-9(15(24)25)13(23)21-14(8)26-12/h1-5H,20H2,(H,21,23)(H,24,25)
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3.60E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of UCHL1


Bioorg Med Chem Lett 17: 3729-32 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.027
BindingDB Entry DOI: 10.7270/Q2HT2QJ5
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1


(Homo sapiens (Human))
BDBM50411573
PNG
(CHEMBL557989)
Show SMILES COc1ccccc1C(=O)c1sc2[nH]c(=O)c(cc2c1N)C(O)=O
Show InChI InChI=1S/C16H12N2O5S/c1-23-10-5-3-2-4-7(10)12(19)13-11(17)8-6-9(16(21)22)14(20)18-15(8)24-13/h2-6H,17H2,1H3,(H,18,20)(H,21,22)
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5.30E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of UCHL1


Bioorg Med Chem Lett 17: 3729-32 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.027
BindingDB Entry DOI: 10.7270/Q2HT2QJ5
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1


(Homo sapiens (Human))
BDBM50411575
PNG
(CHEMBL536763)
Show SMILES Cc1ccccc1C(=O)c1sc2[nH]c(=O)c(cc2c1N)C(O)=O
Show InChI InChI=1S/C16H12N2O4S/c1-7-4-2-3-5-8(7)12(19)13-11(17)9-6-10(16(21)22)14(20)18-15(9)23-13/h2-6H,17H2,1H3,(H,18,20)(H,21,22)
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1.00E+4n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of UCHL1


Bioorg Med Chem Lett 17: 3729-32 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.027
BindingDB Entry DOI: 10.7270/Q2HT2QJ5
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1


(Homo sapiens (Human))
BDBM50411579
PNG
(CHEMBL539346)
Show SMILES Nc1c(sc2[nH]c(=O)c(cc12)C(O)=O)C(=O)c1ccccc1Cl
Show InChI InChI=1S/C15H9ClN2O4S/c16-9-4-2-1-3-6(9)11(19)12-10(17)7-5-8(15(21)22)13(20)18-14(7)23-12/h1-5H,17H2,(H,18,20)(H,21,22)
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1.10E+4n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of UCHL1


Bioorg Med Chem Lett 17: 3729-32 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.027
BindingDB Entry DOI: 10.7270/Q2HT2QJ5
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1


(Homo sapiens (Human))
BDBM50411567
PNG
(CHEMBL537227)
Show SMILES Nc1c(sc2[nH]c(=O)c(cc12)C(O)=O)C(=O)c1cccs1
Show InChI InChI=1S/C13H8N2O4S2/c14-8-5-4-6(13(18)19)11(17)15-12(5)21-10(8)9(16)7-2-1-3-20-7/h1-4H,14H2,(H,15,17)(H,18,19)
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2.00E+4n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of UCHL1


Bioorg Med Chem Lett 17: 3729-32 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.027
BindingDB Entry DOI: 10.7270/Q2HT2QJ5
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1


(Homo sapiens (Human))
BDBM50411566
PNG
(CHEMBL536995)
Show SMILES CC(C)(C)C(=O)c1sc2[nH]c(=O)c(cc2c1N)C(O)=O
Show InChI InChI=1S/C13H14N2O4S/c1-13(2,3)9(16)8-7(14)5-4-6(12(18)19)10(17)15-11(5)20-8/h4H,14H2,1-3H3,(H,15,17)(H,18,19)
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2.00E+4n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of UCHL1


Bioorg Med Chem Lett 17: 3729-32 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.027
BindingDB Entry DOI: 10.7270/Q2HT2QJ5
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1


(Homo sapiens (Human))
BDBM50411580
PNG
(CHEMBL557988)
Show SMILES COC(=O)c1cc2c(N)c(sc2[nH]c1=O)C(=O)c1ccc(C)cc1
Show InChI InChI=1S/C17H14N2O4S/c1-8-3-5-9(6-4-8)13(20)14-12(18)10-7-11(17(22)23-2)15(21)19-16(10)24-14/h3-7H,18H2,1-2H3,(H,19,21)
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>3.00E+4n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of UCHL1


Bioorg Med Chem Lett 17: 3729-32 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.027
BindingDB Entry DOI: 10.7270/Q2HT2QJ5
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1


(Homo sapiens (Human))
BDBM50411578
PNG
(CHEMBL539094)
Show SMILES COc1ccc(cc1)C(=O)c1sc2[nH]c(=O)c(cc2c1N)C(O)=O
Show InChI InChI=1S/C16H12N2O5S/c1-23-8-4-2-7(3-5-8)12(19)13-11(17)9-6-10(16(21)22)14(20)18-15(9)24-13/h2-6H,17H2,1H3,(H,18,20)(H,21,22)
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3.00E+4n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of UCHL1


Bioorg Med Chem Lett 17: 3729-32 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.027
BindingDB Entry DOI: 10.7270/Q2HT2QJ5
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1


(Homo sapiens (Human))
BDBM50411576
PNG
(CHEMBL556784)
Show SMILES Nc1c(sc2[nH]c(=O)c(cc12)C(O)=O)C(=O)N1CCCCC1
Show InChI InChI=1S/C14H15N3O4S/c15-9-7-6-8(14(20)21)11(18)16-12(7)22-10(9)13(19)17-4-2-1-3-5-17/h6H,1-5,15H2,(H,16,18)(H,20,21)
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>3.00E+4n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of UCHL1


Bioorg Med Chem Lett 17: 3729-32 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.027
BindingDB Entry DOI: 10.7270/Q2HT2QJ5
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1


(Homo sapiens (Human))
BDBM50411569
PNG
(CHEMBL538583)
Show SMILES NC(=O)c1sc2[nH]c(=O)c(cc2c1N)C(O)=O
Show InChI InChI=1S/C9H7N3O4S/c10-4-2-1-3(9(15)16)7(14)12-8(2)17-5(4)6(11)13/h1H,10H2,(H2,11,13)(H,12,14)(H,15,16)
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>3.00E+4n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of UCHL1


Bioorg Med Chem Lett 17: 3729-32 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.027
BindingDB Entry DOI: 10.7270/Q2HT2QJ5
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1


(Homo sapiens (Human))
BDBM50411564
PNG
(CHEMBL536997)
Show SMILES Nc1c(sc2[nH]c(=O)c(cc12)C(O)=O)C(=O)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C16H9F3N2O4S/c17-16(18,19)9-4-2-1-3-6(9)11(22)12-10(20)7-5-8(15(24)25)13(23)21-14(7)26-12/h1-5H,20H2,(H,21,23)(H,24,25)
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3.00E+4n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of UCHL1


Bioorg Med Chem Lett 17: 3729-32 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.027
BindingDB Entry DOI: 10.7270/Q2HT2QJ5
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1


(Homo sapiens (Human))
BDBM50411562
PNG
(CHEMBL540118)
Show SMILES CC(=O)c1sc2[nH]c(=O)c(cc2c1N)C(O)=O
Show InChI InChI=1S/C10H8N2O4S/c1-3(13)7-6(11)4-2-5(10(15)16)8(14)12-9(4)17-7/h2H,11H2,1H3,(H,12,14)(H,15,16)
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>3.00E+4n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of UCHL1


Bioorg Med Chem Lett 17: 3729-32 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.027
BindingDB Entry DOI: 10.7270/Q2HT2QJ5
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1


(Homo sapiens (Human))
BDBM50411571
PNG
(CHEMBL537226)
Show SMILES Nc1c(sc2[nH]c(=O)c(cc12)C(O)=O)C(=O)c1ccncc1
Show InChI InChI=1S/C14H9N3O4S/c15-9-7-5-8(14(20)21)12(19)17-13(7)22-11(9)10(18)6-1-3-16-4-2-6/h1-5H,15H2,(H,17,19)(H,20,21)
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3.00E+4n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of UCHL1


Bioorg Med Chem Lett 17: 3729-32 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.027
BindingDB Entry DOI: 10.7270/Q2HT2QJ5
More data for this
Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1


(Homo sapiens (Human))
BDBM321855
PNG
(US10183021, Compound I-595)
Show SMILES Fc1ccccc1Cn1nc(cc1-c1ccon1)-c1ncc(NS(=O)(=O)CCC(F)(F)F)cn1
Show InChI InChI=1S/C20H16F4N6O3S/c21-15-4-2-1-3-13(15)12-30-18(16-5-7-33-28-16)9-17(27-30)19-25-10-14(11-26-19)29-34(31,32)8-6-20(22,23)24/h1-5,7,9-11,29H,6,8,12H2
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US Patent
n/an/an/an/a 550n/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))
BDBM321856
PNG
(US10183021, Compound I-587)
Show SMILES CC(C(=O)Nc1ccnc(n1)-c1cc(-c2ccon2)n(Cc2ccccc2F)n1)S(C)(=O)=O
Show InChI InChI=1S/C21H19FN6O4S/c1-13(33(2,30)31)21(29)25-19-7-9-23-20(24-19)17-11-18(16-8-10-32-27-16)28(26-17)12-14-5-3-4-6-15(14)22/h3-11,13H,12H2,1-2H3,(H,23,24,25,29)
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n/an/an/an/a 550n/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))
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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n/an/an/an/a>1.00E+3n/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))
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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n/an/an/an/a 550n/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))
BDBM321859
PNG
(US10183021, Compound I-597)
Show SMILES Fc1ccccc1Cn1nc(cc1-c1ccon1)-c1nccc(NC(=O)CNC(=O)Cc2ccccc2)n1
Show InChI InChI=1S/C27H22FN7O3/c28-20-9-5-4-8-19(20)17-35-23(21-11-13-38-34-21)15-22(33-35)27-29-12-10-24(32-27)31-26(37)16-30-25(36)14-18-6-2-1-3-7-18/h1-13,15H,14,16-17H2,(H,30,36)(H,29,31,32,37)
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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))
BDBM321860
PNG
(US10183021, Compound I-589)
Show SMILES CC(C(=O)Nc1nc(ncc1F)-c1cc(-c2ccon2)n(Cc2ccccc2F)n1)S(C)(=O)=O
Show InChI InChI=1S/C21H18F2N6O4S/c1-12(34(2,31)32)21(30)26-19-15(23)10-24-20(25-19)17-9-18(16-7-8-33-28-16)29(27-17)11-13-5-3-4-6-14(13)22/h3-10,12H,11H2,1-2H3,(H,24,25,26,30)
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n/an/an/an/a 550n/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))
BDBM321861
PNG
(US10183021, Compound I-598)
Show SMILES Fc1ccccc1Cn1nc(cc1-c1ccon1)-c1nccc(NC(=O)CNC(=O)OCc2ccccc2)n1
Show InChI InChI=1S/C27H22FN7O4/c28-20-9-5-4-8-19(20)16-35-23(21-11-13-39-34-21)14-22(33-35)26-29-12-10-24(32-26)31-25(36)15-30-27(37)38-17-18-6-2-1-3-7-18/h1-14H,15-17H2,(H,30,37)(H,29,31,32,36)
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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))
BDBM321862
PNG
(US10183021, Compound I-590)
Show SMILES NC(=O)C1CN(C(=O)C1)c1nc(ncc1F)-c1cc(-c2ccon2)n(Cc2ccccc2F)n1
Show InChI InChI=1S/C22H17F2N7O3/c23-14-4-2-1-3-12(14)11-31-18(16-5-6-34-29-16)8-17(28-31)21-26-9-15(24)22(27-21)30-10-13(20(25)33)7-19(30)32/h1-6,8-9,13H,7,10-11H2,(H2,25,33)
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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))
BDBM321863
PNG
(US10183021, Compound I-599)
Show SMILES Fc1ccccc1Cn1nc(cc1-c1ccon1)-c1nccc(NC(=O)CN2Cc3ccccc3C2=O)n1
Show InChI InChI=1S/C27H20FN7O3/c28-20-8-4-2-6-18(20)15-35-23(21-10-12-38-33-21)13-22(32-35)26-29-11-9-24(31-26)30-25(36)16-34-14-17-5-1-3-7-19(17)27(34)37/h1-13H,14-16H2,(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))
BDBM321657
PNG
(US10183021, Compound I-318)
Show SMILES OC[C@H]1CCN([C@@H](CO)C1)c1nc(ncc1F)-c1cc(-c2ccon2)n(Cc2ccccc2F)n1
Show InChI InChI=1S/C24H24F2N6O3/c25-18-4-2-1-3-16(18)12-32-22(20-6-8-35-30-20)10-21(29-32)23-27-11-19(26)24(28-23)31-7-5-15(13-33)9-17(31)14-34/h1-4,6,8,10-11,15,17,33-34H,5,7,9,12-14H2/t15-,17+/m0/s1
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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))
BDBM321658
PNG
(US10183021, Compound I-416)
Show SMILES OCC(CO)Nc1cnnc(n1)-c1cc(-c2ccon2)n(Cc2ccccc2F)n1
Show InChI InChI=1S/C19H18FN7O3/c20-14-4-2-1-3-12(14)9-27-17(15-5-6-30-26-15)7-16(25-27)19-23-18(8-21-24-19)22-13(10-28)11-29/h1-8,13,28-29H,9-11H2,(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))
BDBM321659
PNG
(US10183021, Compound I-319)
Show SMILES Fc1ccccc1Cn1nc(cc1-c1ccon1)-c1ncc(F)c(n1)N1CCC[C@@H](C1)c1ccccc1
Show InChI InChI=1S/C28H24F2N6O/c29-22-11-5-4-9-21(22)18-36-26(24-12-14-37-34-24)15-25(33-36)27-31-16-23(30)28(32-27)35-13-6-10-20(17-35)19-7-2-1-3-8-19/h1-5,7-9,11-12,14-16,20H,6,10,13,17-18H2/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))
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))
BDBM321661
PNG
(US10183021, Compound I-320)
Show SMILES CN(C[C@H](O)CO)c1nc(ncc1F)-c1cc(-c2ccon2)n(Cc2ccccc2F)n1
Show InChI InChI=1S/C21H20F2N6O3/c1-28(11-14(31)12-30)21-16(23)9-24-20(25-21)18-8-19(17-6-7-32-27-17)29(26-18)10-13-4-2-3-5-15(13)22/h2-9,14,30-31H,10-12H2,1H3/t14-/m0/s1
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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))
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))
BDBM321663
PNG
(US10183021, Compound I-394)
Show SMILES Fc1ccccc1Cn1nc(cc1-c1ccon1)-c1ncc(F)c(NC2CN(C2)S(=O)(=O)C(F)(F)F)n1
Show InChI InChI=1S/C21H16F5N7O3S/c22-14-4-2-1-3-12(14)9-33-18(16-5-6-36-31-16)7-17(30-33)20-27-8-15(23)19(29-20)28-13-10-32(11-13)37(34,35)21(24,25)26/h1-8,13H,9-11H2,(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))
BDBM321664
PNG
(US10183021, Compound I-164)
Show SMILES Fc1ccccc1Cn1nc(cc1-c1ccon1)-c1nccc(NC(=O)C(F)(F)F)n1
Show InChI InChI=1S/C19H12F4N6O2/c20-12-4-2-1-3-11(12)10-29-15(13-6-8-31-28-13)9-14(27-29)17-24-7-5-16(25-17)26-18(30)19(21,22)23/h1-9H,10H2,(H,24,25,26,30)
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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))
BDBM321665
PNG
(US10183021, Compound I-430)
Show SMILES OC[C@@H]1[C@H](O)CCN1c1nc(ncc1F)-c1cc(-c2ccon2)n(Cc2ccccc2F)n1
Show InChI InChI=1S/C22H20F2N6O3/c23-14-4-2-1-3-13(14)11-30-18(16-6-8-33-28-16)9-17(27-30)21-25-10-15(24)22(26-21)29-7-5-20(32)19(29)12-31/h1-4,6,8-10,19-20,31-32H,5,7,11-12H2/t19-,20-/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))
BDBM321666
PNG
(US10183021, Compound I-405)
Show SMILES NC(=O)C(O)(CNc1nc(ncc1F)-c1cc(-c2ccon2)n(Cc2ccccc2F)n1)C(F)(F)F
Show InChI InChI=1S/C21H16F5N7O3/c22-12-4-2-1-3-11(12)9-33-16(14-5-6-36-32-14)7-15(31-33)18-28-8-13(23)17(30-18)29-10-20(35,19(27)34)21(24,25)26/h1-8,35H,9-10H2,(H2,27,34)(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))
BDBM321667
PNG
(US10183021, Compound I-431)
Show SMILES CC(O)CN(CC(C)O)c1nc(ncc1F)-c1cc(-c2ccon2)n(Cc2ccccc2F)n1
Show InChI InChI=1S/C23H24F2N6O3/c1-14(32)11-30(12-15(2)33)23-18(25)10-26-22(27-23)20-9-21(19-7-8-34-29-19)31(28-20)13-16-5-3-4-6-17(16)24/h3-10,14-15,32-33H,11-13H2,1-2H3
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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
Guanylate cyclase soluble subunit alpha-1


(Homo sapiens (Human))
BDBM321668
PNG
(US10183021, Compound I-327)
Show SMILES CCOc1c(Nc2ccnc(n2)-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)c(=O)c1=O
Show InChI InChI=1S/C23H17FN6O4/c1-2-33-22-19(20(31)21(22)32)26-18-7-9-25-23(27-18)16-11-17(15-8-10-34-29-15)30(28-16)12-13-5-3-4-6-14(13)24/h3-11H,2,12H2,1H3,(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))
BDBM321669
PNG
(US10183021, Compound I-349)
Show SMILES CS(=O)(=O)NCC(O)CNc1nc(ncc1F)-c1cc(-c2ccon2)n(Cc2ccccc2F)n1
Show InChI InChI=1S/C21H21F2N7O4S/c1-35(32,33)26-10-14(31)9-24-20-16(23)11-25-21(27-20)18-8-19(17-6-7-34-29-17)30(28-18)12-13-4-2-3-5-15(13)22/h2-8,11,14,26,31H,9-10,12H2,1H3,(H,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 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)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a>1.00E+3n/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))
BDBM321671
PNG
(US10183021, Compound I-415)
Show SMILES Fc1ccccc1Cn1nc(cc1-c1ccon1)-c1ncc(F)c(NC(=O)C2(CC2)C(F)(F)F)n1
Show InChI InChI=1S/C22H15F5N6O2/c23-13-4-2-1-3-12(13)11-33-17(15-5-8-35-32-15)9-16(31-33)19-28-10-14(24)18(29-19)30-20(34)21(6-7-21)22(25,26)27/h1-5,8-10H,6-7,11H2,(H,28,29,30,34)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a>1.00E+3n/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))
BDBM321672
PNG
(US10183021, Compound I-499)
Show SMILES OCC(=O)Nc1ccnc(n1)-c1cc(-c2ccon2)n(Cc2ccccc2F)n1
Show InChI InChI=1S/C19H15FN6O3/c20-13-4-2-1-3-12(13)10-26-16(14-6-8-29-25-14)9-15(24-26)19-21-7-5-17(23-19)22-18(28)11-27/h1-9,27H,10-11H2,(H,21,22,23,28)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a>1.00E+3n/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))
BDBM321673
PNG
(US10183021, Compound I-362)
Show SMILES CC(=O)c1cc(nn1Cc1ccccc1F)-c1ncc(F)c(NCC(O)(C(F)(F)F)C(F)(F)F)n1
Show InChI InChI=1S/C20H15F8N5O2/c1-10(34)15-6-14(32-33(15)8-11-4-2-3-5-12(11)21)17-29-7-13(22)16(31-17)30-9-18(35,19(23,24)25)20(26,27)28/h2-7,35H,8-9H2,1H3,(H,29,30,31)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 550n/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))
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)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 550n/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))
BDBM321675
PNG
(US10183021, Compound I-386)
Show SMILES Fc1ccccc1Cn1nc(cc1-c1ccon1)-c1nccc(NC(=O)c2cc[nH]n2)n1
Show InChI InChI=1S/C21H15FN8O2/c22-14-4-2-1-3-13(14)12-30-18(15-7-10-32-29-15)11-17(28-30)20-23-8-6-19(25-20)26-21(31)16-5-9-24-27-16/h1-11H,12H2,(H,24,27)(H,23,25,26,31)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a>1.00E+3n/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))
BDBM321676
PNG
(US10183021, Compound I-501)
Show SMILES Fc1ccccc1Cn1nc(cc1-c1ccon1)-c1ncc(F)c(n1)N1C(CCC1=O)C(F)(F)F
Show InChI InChI=1S/C22H15F5N6O2/c23-13-4-2-1-3-12(13)11-32-17(15-7-8-35-31-15)9-16(30-32)20-28-10-14(24)21(29-20)33-18(22(25,26)27)5-6-19(33)34/h1-4,7-10,18H,5-6,11H2
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a>1.00E+3n/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
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