BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 588 hits with Last Name = 'perl' and Initial = 'nr'   
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)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
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)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
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))
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
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))
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)
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))
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)
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))
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)
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))
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)
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))
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)
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))
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)
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))
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)
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))
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)
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))
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
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))
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
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
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)
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))
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
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
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))
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
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))
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
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
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
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))
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)
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))
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)
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))
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
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
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))
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)
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))
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
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
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))
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)
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))
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)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
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))
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
Guanylate cyclase soluble subunit alpha-1


(Homo sapiens (Human))
BDBM321677
PNG
(US10183021, Compound I-402)
Show SMILES Oc1c(Nc2ccnc(n2)-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)c(=O)c1=O
Show InChI InChI=1S/C21H13FN6O4/c22-12-4-2-1-3-11(12)10-28-15(13-6-8-32-27-13)9-14(26-28)21-23-7-5-16(25-21)24-17-18(29)20(31)19(17)30/h1-9,29H,10H2,(H,23,24,25)
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))
BDBM321678
PNG
(US10183021, Compound I-502)
Show SMILES OCC1(CC1)Nc1nc(ncc1F)-c1cc(-c2ccon2)n(Cc2ccccc2F)n1
Show InChI InChI=1S/C21H18F2N6O2/c22-14-4-2-1-3-13(14)11-29-18(16-5-8-31-28-16)9-17(27-29)20-24-10-15(23)19(25-20)26-21(12-30)6-7-21/h1-5,8-10,30H,6-7,11-12H2,(H,24,25,26)
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))
BDBM321679
PNG
(US10183021, Compound I-456)
Show SMILES NS(=O)(=O)Nc1ccnc(n1)-c1cc(-c2ccon2)n(Cc2ccccc2F)n1
Show InChI InChI=1S/C17H14FN7O3S/c18-12-4-2-1-3-11(12)10-25-15(13-6-8-28-23-13)9-14(22-25)17-20-7-5-16(21-17)24-29(19,26)27/h1-9H,10H2,(H2,19,26,27)(H,20,21,24)
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))
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
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))
BDBM321681
PNG
(US10183021, Compound I-457)
Show SMILES C[C@H]1CCCN([C@H]1C(O)=O)c1nc(ncc1F)-c1cc(C#N)n(Cc2ccccc2F)n1
Show InChI InChI=1S/C22H20F2N6O2/c1-13-5-4-8-29(19(13)22(31)32)21-17(24)11-26-20(27-21)18-9-15(10-25)30(28-18)12-14-6-2-3-7-16(14)23/h2-3,6-7,9,11,13,19H,4-5,8,12H2,1H3,(H,31,32)/t13-,19+/m0/s1
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))
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
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))
BDBM321683
PNG
(US10183021, Compound I-458)
Show SMILES OC1=CC(=O)CC(C1)C(=O)Nc1ccnc(n1)-c1cc(-c2ccon2)n(Cc2ccccc2F)n1
Show InChI InChI=1S/C24H19FN6O4/c25-18-4-2-1-3-14(18)13-31-21(19-6-8-35-30-19)12-20(29-31)23-26-7-5-22(27-23)28-24(34)15-9-16(32)11-17(33)10-15/h1-8,11-12,15,32H,9-10,13H2,(H,26,27,28,34)
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))
BDBM321684
PNG
(US10183021, Compound I-505)
Show SMILES CC(C)S(=O)(=O)Nc1nc(ncc1F)-c1cc(-c2ccon2)n(Cc2ccccc2F)n1
Show InChI InChI=1S/C20H18F2N6O3S/c1-12(2)32(29,30)27-19-15(22)10-23-20(24-19)17-9-18(16-7-8-31-26-16)28(25-17)11-13-5-3-4-6-14(13)21/h3-10,12H,11H2,1-2H3,(H,23,24,27)
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))
BDBM321685
PNG
(US10183021, Compound I-459)
Show SMILES Fc1ccccc1Cn1nc(cc1-c1ccon1)-c1nccc(NC(=O)C2CCC(=O)N2)n1
Show InChI InChI=1S/C22H18FN7O3/c23-14-4-2-1-3-13(14)12-30-18(15-8-10-33-29-15)11-17(28-30)21-24-9-7-19(26-21)27-22(32)16-5-6-20(31)25-16/h1-4,7-11,16H,5-6,12H2,(H,25,31)(H,24,26,27,32)
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))
BDBM321686
PNG
(US10183021, Compound I-506)
Show SMILES Fc1ccccc1Cn1nc(cc1-c1ccon1)-c1ncc(F)c(n1)N1CCCCC1=O
Show InChI InChI=1S/C22H18F2N6O2/c23-15-6-2-1-5-14(15)13-30-19(17-8-10-32-28-17)11-18(27-30)21-25-12-16(24)22(26-21)29-9-4-3-7-20(29)31/h1-2,5-6,8,10-12H,3-4,7,9,13H2
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))
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)
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))
BDBM321688
PNG
(US10183021, Compound I-507)
Show SMILES Oc1nc(ncc1F)-c1cc(-c2ccon2)n(CCC(F)(F)F)n1
Show InChI InChI=1S/C13H9F4N5O2/c14-7-6-18-11(19-12(7)23)9-5-10(8-1-4-24-21-8)22(20-9)3-2-13(15,16)17/h1,4-6H,2-3H2,(H,18,19,23)
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))
BDBM321689
PNG
(US10183021, Compound I-461)
Show SMILES Fc1ccccc1Cn1nc(cc1-c1ccon1)-c1nccc(NC(=O)C2(CC2)OCc2ccccc2)n1
Show InChI InChI=1S/C28H23FN6O3/c29-21-9-5-4-8-20(21)17-35-24(22-11-15-38-34-22)16-23(33-35)26-30-14-10-25(31-26)32-27(36)28(12-13-28)37-18-19-6-2-1-3-7-19/h1-11,14-16H,12-13,17-18H2,(H,30,31,32,36)
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))
BDBM321690
PNG
(US10183021, Compound I-418)
Show SMILES OC(=O)CC(Nc1nc(ncc1F)-c1cc(-c2ccon2)n(Cc2ccccc2F)n1)C(F)(F)F
Show InChI InChI=1S/C21H15F5N6O3/c22-12-4-2-1-3-11(12)10-32-16(14-5-6-35-31-14)7-15(30-32)20-27-9-13(23)19(29-20)28-17(8-18(33)34)21(24,25)26/h1-7,9,17H,8,10H2,(H,33,34)(H,27,28,29)
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))
BDBM321691
PNG
(US10183021, Compound I-462)
Show SMILES CC(=O)c1cc(nn1Cc1ccccc1F)-c1ncc(F)c(NC(CO)CO)n1
Show InChI InChI=1S/C19H19F2N5O3/c1-11(29)17-6-16(25-26(17)8-12-4-2-3-5-14(12)20)19-22-7-15(21)18(24-19)23-13(9-27)10-28/h2-7,13,27-28H,8-10H2,1H3,(H,22,23,24)
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))
BDBM321692
PNG
(US10183021, Compound I-508)
Show SMILES CC(C)C(Nc1nc(ncc1F)-c1cc(-c2ccon2)n(Cc2ccccc2F)n1)C(=O)NC1CC1
Show InChI InChI=1S/C25H25F2N7O2/c1-14(2)22(25(35)29-16-7-8-16)30-23-18(27)12-28-24(31-23)20-11-21(19-9-10-36-33-19)34(32-20)13-15-5-3-4-6-17(15)26/h3-6,9-12,14,16,22H,7-8,13H2,1-2H3,(H,29,35)(H,28,30,31)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
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))
BDBM321693
PNG
(US10183021, Compound I-463)
Show SMILES C[C@H]1CCCN([C@H]1OC=O)c1nc(ncc1F)-c1cc(C(C)=O)n(Cc2ccccc2F)n1
Show InChI InChI=1S/C23H23F2N5O3/c1-14-6-5-9-29(23(14)33-13-31)22-18(25)11-26-21(27-22)19-10-20(15(2)32)30(28-19)12-16-7-3-4-8-17(16)24/h3-4,7-8,10-11,13-14,23H,5-6,9,12H2,1-2H3/t14-,23-/m0/s1
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))
BDBM321694
PNG
(US10183021, Compound I-509)
Show SMILES Fc1ccccc1Cn1nc(cc1-c1ccon1)-c1ncc(F)c(NCCSC(F)(F)F)n1
Show InChI InChI=1S/C20H15F5N6OS/c21-13-4-2-1-3-12(13)11-31-17(15-5-7-32-30-15)9-16(29-31)19-27-10-14(22)18(28-19)26-6-8-33-20(23,24)25/h1-5,7,9-10H,6,8,11H2,(H,26,27,28)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
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
Displayed 1 to 50 (of 588 total )  |  Next  |  Last  >>
Jump to: