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8 similar compounds to monomer 24226

Compile data set for download or QSAR
Wt: 472.5
BDBM56333
Purchase
Wt: 444.5
BDBM50131433
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Wt: 444.5
BDBM50227104
Wt: 512.5
BDBM50227108
Wt: 446.5
BDBM50227118
Wt: 428.5
BDBM50227122
Wt: 442.5
BDBM50227123
Wt: 442.5
BDBM50297869

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 56333,50131433,50227104,50227108,50227118,50227122,50227123,50297869   
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
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50297869
PNG
(1-(1-(4-fluorobenzyl)-1H-benzo[d]imidazol-2-yl)-N-...)
Show SMILES CN(CCc1ccccc1)C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1
Show InChI InChI=1S/C28H31FN4/c1-31(18-15-22-7-3-2-4-8-22)25-16-19-32(20-17-25)28-30-26-9-5-6-10-27(26)33(28)21-23-11-13-24(29)14-12-23/h2-14,25H,15-21H2,1H3
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2.40n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO Flp-In cells by liquid scintillation assay


Bioorg Med Chem Lett 19: 4380-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.086
BindingDB Entry DOI: 10.7270/Q2KS6RM8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50297869
PNG
(1-(1-(4-fluorobenzyl)-1H-benzo[d]imidazol-2-yl)-N-...)
Show SMILES CN(CCc1ccccc1)C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1
Show InChI InChI=1S/C28H31FN4/c1-31(18-15-22-7-3-2-4-8-22)25-16-19-32(20-17-25)28-30-26-9-5-6-10-27(26)33(28)21-23-11-13-24(29)14-12-23/h2-14,25H,15-21H2,1H3
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89n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl scopolamine from human muscarinic M1 receptor expressed in CHO Flp-In cells by liquid scintillation assay


Bioorg Med Chem Lett 19: 4380-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.086
BindingDB Entry DOI: 10.7270/Q2KS6RM8
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50297869
PNG
(1-(1-(4-fluorobenzyl)-1H-benzo[d]imidazol-2-yl)-N-...)
Show SMILES CN(CCc1ccccc1)C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1
Show InChI InChI=1S/C28H31FN4/c1-31(18-15-22-7-3-2-4-8-22)25-16-19-32(20-17-25)28-30-26-9-5-6-10-27(26)33(28)21-23-11-13-24(29)14-12-23/h2-14,25H,15-21H2,1H3
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502n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 19: 4380-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.086
BindingDB Entry DOI: 10.7270/Q2KS6RM8
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50227104
PNG
(1-(4-fluorobenzyl)-N-(1-(4-methoxybenzyl)piperidin...)
Show SMILES COc1ccc(CN2CCC(CC2)Nc2nc3ccccc3n2Cc2ccc(F)cc2)cc1
Show InChI InChI=1S/C27H29FN4O/c1-33-24-12-8-20(9-13-24)18-31-16-14-23(15-17-31)29-27-30-25-4-2-3-5-26(25)32(27)19-21-6-10-22(28)11-7-21/h2-13,23H,14-19H2,1H3,(H,29,30)
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3.95E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]11-Tyr somatostatin-14 from human SST5R expressed in CHO cells


J Med Chem 50: 6291-4 (2007)


Article DOI: 10.1021/jm701143p
BindingDB Entry DOI: 10.7270/Q2WS8T0K
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50227122
PNG
(1-(4-fluorobenzyl)-N-(1-phenethylpiperidin-4-yl)-1...)
Show SMILES Fc1ccc(Cn2c(NC3CCN(CCc4ccccc4)CC3)nc3ccccc23)cc1
Show InChI InChI=1S/C27H29FN4/c28-23-12-10-22(11-13-23)20-32-26-9-5-4-8-25(26)30-27(32)29-24-15-18-31(19-16-24)17-14-21-6-2-1-3-7-21/h1-13,24H,14-20H2,(H,29,30)
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5.00E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]11-Tyr somatostatin-14 from human SST5R expressed in CHO cells


J Med Chem 50: 6291-4 (2007)


Article DOI: 10.1021/jm701143p
BindingDB Entry DOI: 10.7270/Q2WS8T0K
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50227118
PNG
(1-(4-fluorobenzyl)-N-(1-(4-fluorophenethyl)piperid...)
Show SMILES Fc1ccc(CCN2CCC(CC2)Nc2nc3ccccc3n2Cc2ccc(F)cc2)cc1
Show InChI InChI=1S/C27H28F2N4/c28-22-9-5-20(6-10-22)13-16-32-17-14-24(15-18-32)30-27-31-25-3-1-2-4-26(25)33(27)19-21-7-11-23(29)12-8-21/h1-12,24H,13-19H2,(H,30,31)
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>1.00E+4n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]11-Tyr somatostatin-14 from human SST5R expressed in CHO cells


J Med Chem 50: 6291-4 (2007)


Article DOI: 10.1021/jm701143p
BindingDB Entry DOI: 10.7270/Q2WS8T0K
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50227108
PNG
(CHEMBL399015 | N-(1-(4-(trifluoromethoxy)phenethyl...)
Show SMILES Fc1ccc(Cn2c(NC3CCN(CCc4ccc(OC(F)(F)F)cc4)CC3)nc3ccccc23)cc1
Show InChI InChI=1S/C28H28F4N4O/c29-22-9-5-21(6-10-22)19-36-26-4-2-1-3-25(26)34-27(36)33-23-14-17-35(18-15-23)16-13-20-7-11-24(12-8-20)37-28(30,31)32/h1-12,23H,13-19H2,(H,33,34)
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>1.00E+4n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]11-Tyr somatostatin-14 from human SST5R expressed in CHO cells


J Med Chem 50: 6291-4 (2007)


Article DOI: 10.1021/jm701143p
BindingDB Entry DOI: 10.7270/Q2WS8T0K
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50227123
PNG
(1-(4-fluorobenzyl)-N-(1-(3-phenylpropyl)piperidin-...)
Show SMILES Fc1ccc(Cn2c(NC3CCN(CCCc4ccccc4)CC3)nc3ccccc23)cc1
Show InChI InChI=1S/C28H31FN4/c29-24-14-12-23(13-15-24)21-33-27-11-5-4-10-26(27)31-28(33)30-25-16-19-32(20-17-25)18-6-9-22-7-2-1-3-8-22/h1-5,7-8,10-15,25H,6,9,16-21H2,(H,30,31)
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>1.00E+4n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]11-Tyr somatostatin-14 from human SST5R expressed in CHO cells


J Med Chem 50: 6291-4 (2007)


Article DOI: 10.1021/jm701143p
BindingDB Entry DOI: 10.7270/Q2WS8T0K
More data for this
Ligand-Target Pair
Kallikrein 5


(Homo sapiens (Human))
BDBM56333
PNG
(1-[4-[[1-(4-fluorobenzyl)benzimidazol-2-yl]amino]p...)
Show SMILES COc1ccc(CC(=O)N2CCC(CC2)Nc2nc3ccccc3n2Cc2ccc(F)cc2)cc1
Show InChI InChI=1S/C28H29FN4O2/c1-35-24-12-8-20(9-13-24)18-27(34)32-16-14-23(15-17-32)30-28-31-25-4-2-3-5-26(25)33(28)19-21-6-10-22(29)11-7-21/h2-13,23H,14-19H2,1H3,(H,30,31)
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PCBioAssay
n/an/a 5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2GH9GC8
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50131433
PNG
(4-(2-(4-(1-(4-fluorobenzyl)-1H-benzo[d]imidazol-2-...)
Show SMILES Oc1ccc(CCN2CCC(CC2)Nc2nc3ccccc3n2Cc2ccc(F)cc2)cc1
Show InChI InChI=1S/C27H29FN4O/c28-22-9-5-21(6-10-22)19-32-26-4-2-1-3-25(26)30-27(32)29-23-14-17-31(18-15-23)16-13-20-7-11-24(33)12-8-20/h1-12,23,33H,13-19H2,(H,29,30)
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n/an/a 1n/an/an/an/an/an/a



Gedeon Richter Ltd

Curated by ChEMBL


Assay Description
Inhibition of human Potassium channel HERG expressed in mammalian cells


Bioorg Med Chem Lett 13: 2773-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00492-x
BindingDB Entry DOI: 10.7270/Q2QZ2BGZ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50131433
PNG
(4-(2-(4-(1-(4-fluorobenzyl)-1H-benzo[d]imidazol-2-...)
Show SMILES Oc1ccc(CCN2CCC(CC2)Nc2nc3ccccc3n2Cc2ccc(F)cc2)cc1
Show InChI InChI=1S/C27H29FN4O/c28-22-9-5-21(6-10-22)19-32-26-4-2-1-3-25(26)30-27(32)29-23-14-17-31(18-15-23)16-13-20-7-11-24(33)12-8-20/h1-12,23,33H,13-19H2,(H,29,30)
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n/an/a 1n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO cells by whole cell patch clamp technique


Bioorg Med Chem 16: 6252-60 (2008)


Article DOI: 10.1016/j.bmc.2008.04.028
BindingDB Entry DOI: 10.7270/Q25D8T25
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50131433
PNG
(4-(2-(4-(1-(4-fluorobenzyl)-1H-benzo[d]imidazol-2-...)
Show SMILES Oc1ccc(CCN2CCC(CC2)Nc2nc3ccccc3n2Cc2ccc(F)cc2)cc1
Show InChI InChI=1S/C27H29FN4O/c28-22-9-5-21(6-10-22)19-32-26-4-2-1-3-25(26)30-27(32)29-23-14-17-31(18-15-23)16-13-20-7-11-24(33)12-8-20/h1-12,23,33H,13-19H2,(H,29,30)
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n/an/a 1n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel in HEK293 cells by voltage-clamp method


Eur J Med Chem 43: 2479-88 (2008)


Article DOI: 10.1016/j.ejmech.2007.12.025
BindingDB Entry DOI: 10.7270/Q2542PTB
More data for this
Ligand-Target Pair