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9 similar compounds to monomer 71006

Compile data set for download or QSAR
Wt: 343.3
BDBM39201
Wt: 352.7
BDBM42996
Wt: 577.4
BDBM70992
Wt: 509.0
BDBM70998
Wt: 320.4
BDBM70578
Wt: 1809.9
BDBM70577
Wt: 586.6
BDBM70932
Wt: 492.5
BDBM71046
Wt: 318.3
BDBM70596

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 39201,42996,70992,70998,70578,70577,70932,71046,70596   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM39201
PNG
(6-Amino-4-[5-(2-cyano-phenyl)-furan-2-yl]-3-methyl...)
Show SMILES Cc1[nH]nc2OC(=N)C(C#N)C(c3ccc(o3)-c3ccccc3C#N)c12
Show InChI InChI=1/C19H13N5O2/c1-10-16-17(13(9-21)18(22)26-19(16)24-23-10)15-7-6-14(25-15)12-5-3-2-4-11(12)8-20/h2-7,13,17,22H,1H3,(H,23,24)
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n/an/a>1.99E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


Article DOI: 10.1021/cc1000488
BindingDB Entry DOI: 10.7270/Q2F769ZM
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM71046
PNG
(US9546164, 193 | US9694002, 193)
Show SMILES Fc1cc(OCC2CCN(CCC(F)(F)F)CC2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
Show InChI InChI=1S/C22H28F4N2O4S/c23-19-12-20(32-13-14-5-8-28(9-6-14)10-7-22(24,25)26)17(15-1-2-15)11-18(19)21(29)27-33(30,31)16-3-4-16/h11-12,14-16H,1-10,13H2,(H,27,29)
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n/an/a 52n/an/an/an/a7.425



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent


Assay Description
Radioligand Binding Studies: Saturation experiments. A representative compound of formula (I) having a methyl group was tritiated. Three tritiums wer...


US Patent US9546164 (2017)


Article DOI: 10.1016/j.bmcl.2005.05.131
BindingDB Entry DOI: 10.7270/Q2JD4ZS4
More data for this
Ligand-Target Pair
nuclear receptor coactivator 3 isoform a


(Homo sapiens (Human))
BDBM42996
PNG
(6-Amino-4-[5-(4-chloro-phenyl)-furan-2-yl]-3-methy...)
Show SMILES Cc1[nH]nc2OC(=N)C(C#N)C(c3ccc(o3)-c3ccc(Cl)cc3)c12
Show InChI InChI=1/C18H13ClN4O2/c1-9-15-16(12(8-20)17(21)25-18(15)23-22-9)14-7-6-13(24-14)10-2-4-11(19)5-3-10/h2-7,12,16,21H,1H3,(H,22,23)
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n/an/an/an/a>7.94E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center http://molscreen.florida.scripps.edu/ Center Affiliation: The ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2707ZV7
More data for this
Ligand-Target Pair
NCOA2 protein


(Homo sapiens (Human))
BDBM42996
PNG
(6-Amino-4-[5-(4-chloro-phenyl)-furan-2-yl]-3-methy...)
Show SMILES Cc1[nH]nc2OC(=N)C(C#N)C(c3ccc(o3)-c3ccc(Cl)cc3)c12
Show InChI InChI=1/C18H13ClN4O2/c1-9-15-16(12(8-20)17(21)25-18(15)23-22-9)14-7-6-13(24-14)10-2-4-11(19)5-3-10/h2-7,12,16,21H,1H3,(H,22,23)
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n/an/an/an/a>7.94E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QZ28CS
More data for this
Ligand-Target Pair
Polycomb protein EED (EED)


(Homo sapiens (Human))
BDBM70577
PNG
(H3 peptide)
Show SMILES CSCC[C@H](\N=C(/O)[C@H](C)\N=C(/O)[C@H](Cc1ccc(O)cc1)\N=C(/O)[C@H](Cc1ccccc1)\N=C(/O)C\N=C(/O)C\N=C(/O)[C@H](CCCNC(N)=N)\N=C(/O)[C@H](C)\N=C(/O)[C@@H](N)CS)C(\O)=N\[C@@H](CC(O)=O)C(\O)=N\[C@@H](Cc1ccc(O)cc1)C(\O)=N\[C@@H](Cc1c[nH]c2ccccc12)C(\O)=N\[C@@H](CCC(O)=N)C(\O)=N\C\C(O)=N\[C@@H](CCC(O)=N)C(\O)=N\CC(O)=O
Show InChI InChI=1S/C80H108N22O23S2/c1-41(92-70(116)50(81)40-126)68(114)96-52(14-9-28-86-80(84)85)71(117)89-36-63(107)88-37-64(108)95-56(30-43-10-5-4-6-11-43)76(122)99-57(31-44-15-19-47(103)20-16-44)75(121)93-42(2)69(115)97-55(27-29-127-3)74(120)102-60(34-66(110)111)79(125)100-58(32-45-17-21-48(104)22-18-45)77(123)101-59(33-46-35-87-51-13-8-7-12-49(46)51)78(124)98-54(24-26-62(83)106)73(119)90-38-65(109)94-53(23-25-61(82)105)72(118)91-39-67(112)113/h4-8,10-13,15-22,35,41-42,50,52-60,87,103-104,126H,9,14,23-34,36-40,81H2,1-3H3,(H2,82,105)(H2,83,106)(H,88,107)(H,89,117)(H,90,119)(H,91,118)(H,92,116)(H,93,121)(H,94,109)(H,95,108)(H,96,114)(H,97,115)(H,98,124)(H,99,122)(H,100,125)(H,101,123)(H,102,120)(H,110,111)(H,112,113)(H4,84,85,86)/t41-,42-,50-,52-,53-,54-,55-,56-,57-,58-,59-,60-/m0/s1
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n/an/a 18.1n/an/an/an/a7.525



AbbVie Inc.



Assay Description
For the assay, compounds or nonbiotinylated H3(23-34) peptide were dispensed in assay-ready plates using a three-fold serial dilution from 50 μM...


Nat Chem Biol 13: 389-395 (2017)


Article DOI: 10.1038/nchembio.2306
BindingDB Entry DOI: 10.7270/Q2NG4PGD
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 Alpha


(Homo sapiens (Human))
BDBM70578
PNG
(US9693992, 271)
Show SMILES CN(C)CCNC(=O)CCc1cc2c(C=O)c(O)ccc2s1
Show InChI InChI=1S/C16H20N2O3S/c1-18(2)8-7-17-16(21)6-3-11-9-12-13(10-19)14(20)4-5-15(12)22-11/h4-5,9-10,20H,3,6-8H2,1-2H3,(H,17,21)
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n/an/an/an/a<1.00E+4n/an/a7.530



MannKind Corporation

US Patent


Assay Description
A fusion protein comprising glutathione S transferase (GST) and human IRE-1α (GST-IRE-1α) obtained from a 500 ml baculovirus-infected ins...


US Patent US9693992 (2017)


BindingDB Entry DOI: 10.7270/Q2CZ35BC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 Alpha


(Homo sapiens (Human))
BDBM70596
PNG
(US9693992, 286)
Show SMILES Oc1ccc2oc(cc2c1C=O)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C16H18N2O5/c19-10-12-11-9-15(23-14(11)2-1-13(12)20)16(21)17-3-4-18-5-7-22-8-6-18/h1-2,9-10,20H,3-8H2,(H,17,21)
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n/an/an/an/a<1.00E+4n/an/a7.530



MannKind Corporation

US Patent


Assay Description
A fusion protein comprising glutathione S transferase (GST) and human IRE-1α (GST-IRE-1α) obtained from a 500 ml baculovirus-infected ins...


US Patent US9693992 (2017)


BindingDB Entry DOI: 10.7270/Q2CZ35BC
More data for this
Ligand-Target Pair
Sodium Channel Complex


(Homo sapiens (Human))
BDBM70932
PNG
(US9546164, 95 | US9694002, 95)
Show SMILES CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CN(C2)[C@@H](c2ccccc2)c2ccc(cc2)S(C)(=O)=O)cc1F
Show InChI InChI=1/C29H31FN2O6S2/c1-39(34,35)23-12-10-22(11-13-23)28(21-6-4-3-5-7-21)32-16-19(17-32)18-38-27-15-26(30)25(14-24(27)20-8-9-20)29(33)31-40(2,36)37/h3-7,10-15,19-20,28H,8-9,16-18H2,1-2H3,(H,31,33)/t28-/s2
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n/an/a 1.06E+3n/an/an/an/a7.425



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent


Assay Description
Binding of this radioligand was preformed in 5 mL borosilicate glass test tubes at room temperature. Binding was initiated by adding membranes to inc...


US Patent US9694002 (2017)


BindingDB Entry DOI: 10.7270/Q24B2ZFG
More data for this
Ligand-Target Pair
Sodium Channel Complex


(Homo sapiens (Human))
BDBM70992
PNG
(US9546164, 142 | US9694002, 142)
Show SMILES CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CN(C2)[C@@H](c2ccccc2)c2cc(Cl)cc(Cl)c2)cc1F
Show InChI InChI=1/C28H27Cl2FN2O4S/c1-38(35,36)32-28(34)24-12-23(18-7-8-18)26(13-25(24)31)37-16-17-14-33(15-17)27(19-5-3-2-4-6-19)20-9-21(29)11-22(30)10-20/h2-6,9-13,17-18,27H,7-8,14-16H2,1H3,(H,32,34)/t27-/s2
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n/an/a 6.60n/an/an/an/a7.425



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent


Assay Description
Binding of this radioligand was preformed in 5 mL borosilicate glass test tubes at room temperature. Binding was initiated by adding membranes to inc...


US Patent US9694002 (2017)


BindingDB Entry DOI: 10.7270/Q24B2ZFG
More data for this
Ligand-Target Pair
Sodium Channel Complex


(Homo sapiens (Human))
BDBM70998
PNG
(US9546164, 148 | US9694002, 148)
Show SMILES CC(N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cccc(Cl)c1
Show InChI InChI=1/C25H30ClFN2O4S/c1-16(19-4-3-5-20(26)12-19)29-10-8-17(9-11-29)15-33-24-14-23(27)22(13-21(24)18-6-7-18)25(30)28-34(2,31)32/h3-5,12-14,16-18H,6-11,15H2,1-2H3,(H,28,30)
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n/an/a 15n/an/an/an/a7.425



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent


Assay Description
Binding of this radioligand was preformed in 5 mL borosilicate glass test tubes at room temperature. Binding was initiated by adding membranes to inc...


US Patent US9694002 (2017)


BindingDB Entry DOI: 10.7270/Q24B2ZFG
More data for this
Ligand-Target Pair
Sodium Channel Complex


(Homo sapiens (Human))
BDBM71046
PNG
(US9546164, 193 | US9694002, 193)
Show SMILES Fc1cc(OCC2CCN(CCC(F)(F)F)CC2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
Show InChI InChI=1S/C22H28F4N2O4S/c23-19-12-20(32-13-14-5-8-28(9-6-14)10-7-22(24,25)26)17(15-1-2-15)11-18(19)21(29)27-33(30,31)16-3-4-16/h11-12,14-16H,1-10,13H2,(H,27,29)
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n/an/a 52n/an/an/an/a7.425



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent


Assay Description
Binding of this radioligand was preformed in 5 mL borosilicate glass test tubes at room temperature. Binding was initiated by adding membranes to inc...


US Patent US9694002 (2017)


BindingDB Entry DOI: 10.7270/Q24B2ZFG
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM70932
PNG
(US9546164, 95 | US9694002, 95)
Show SMILES CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CN(C2)[C@@H](c2ccccc2)c2ccc(cc2)S(C)(=O)=O)cc1F
Show InChI InChI=1/C29H31FN2O6S2/c1-39(34,35)23-12-10-22(11-13-23)28(21-6-4-3-5-7-21)32-16-19(17-32)18-38-27-15-26(30)25(14-24(27)20-8-9-20)29(33)31-40(2,36)37/h3-7,10-15,19-20,28H,8-9,16-18H2,1-2H3,(H,31,33)/t28-/s2
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n/an/a 1.06E+3n/an/an/an/a7.425



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent


Assay Description
Radioligand Binding Studies: Saturation experiments. A representative compound of formula (I) having a methyl group was tritiated. Three tritiums wer...


US Patent US9546164 (2017)


Article DOI: 10.1016/j.bmcl.2005.05.131
BindingDB Entry DOI: 10.7270/Q2JD4ZS4
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM70992
PNG
(US9546164, 142 | US9694002, 142)
Show SMILES CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CN(C2)[C@@H](c2ccccc2)c2cc(Cl)cc(Cl)c2)cc1F
Show InChI InChI=1/C28H27Cl2FN2O4S/c1-38(35,36)32-28(34)24-12-23(18-7-8-18)26(13-25(24)31)37-16-17-14-33(15-17)27(19-5-3-2-4-6-19)20-9-21(29)11-22(30)10-20/h2-6,9-13,17-18,27H,7-8,14-16H2,1H3,(H,32,34)/t27-/s2
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n/an/a 6.57n/an/an/an/a7.425



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent


Assay Description
Radioligand Binding Studies: Saturation experiments. A representative compound of formula (I) having a methyl group was tritiated. Three tritiums wer...


US Patent US9546164 (2017)


Article DOI: 10.1016/j.bmcl.2005.05.131
BindingDB Entry DOI: 10.7270/Q2JD4ZS4
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM70998
PNG
(US9546164, 148 | US9694002, 148)
Show SMILES CC(N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cccc(Cl)c1
Show InChI InChI=1/C25H30ClFN2O4S/c1-16(19-4-3-5-20(26)12-19)29-10-8-17(9-11-29)15-33-24-14-23(27)22(13-21(24)18-6-7-18)25(30)28-34(2,31)32/h3-5,12-14,16-18H,6-11,15H2,1-2H3,(H,28,30)
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n/an/a 15n/an/an/an/a7.425



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent


Assay Description
Radioligand Binding Studies: Saturation experiments. A representative compound of formula (I) having a methyl group was tritiated. Three tritiums wer...


US Patent US9546164 (2017)


Article DOI: 10.1016/j.bmcl.2005.05.131
BindingDB Entry DOI: 10.7270/Q2JD4ZS4
More data for this
Ligand-Target Pair
nuclear receptor coactivator 1 isoform 1


(Homo sapiens (Human))
BDBM42996
PNG
(6-Amino-4-[5-(4-chloro-phenyl)-furan-2-yl]-3-methy...)
Show SMILES Cc1[nH]nc2OC(=N)C(C#N)C(c3ccc(o3)-c3ccc(Cl)cc3)c12
Show InChI InChI=1/C18H13ClN4O2/c1-9-15-16(12(8-20)17(21)25-18(15)23-22-9)14-7-6-13(24-14)10-2-4-11(19)5-3-10/h2-7,12,16,21H,1H3,(H,22,23)
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n/an/an/an/a>7.94E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2FT8JGV
More data for this
Ligand-Target Pair