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9 similar compounds to monomer 50324926

Wt: 336.8
BDBM50324916
Wt: 336.8
BDBM50324917
Wt: 308.8
BDBM50324918
Wt: 320.8
BDBM50324920
Wt: 363.8
BDBM50324921
Wt: 362.8
BDBM50324922
Wt: 376.9
BDBM50324923
Wt: 364.8
BDBM50324924
Wt: 350.8
BDBM50324927

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50324916,50324917,50324918,50324920,50324921,50324922,50324923,50324924,50324927   
Target
(Institution)
LigandTarget
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
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50324922
PNG
((3S)-3-(2-amino-5-chloro-1H-benzimidazol-1-yl)-N-(...)
Show SMILES CC[C@@H](CC(=O)NCC1CCCCC1)n1c(N)nc2cc(Cl)ccc12 |r|
Show InChI InChI=1/C19H27ClN4O/c1-2-15(11-18(25)22-12-13-6-4-3-5-7-13)24-17-9-8-14(20)10-16(17)23-19(24)21/h8-10,13,15H,2-7,11-12H2,1H3,(H2,21,23)(H,22,25)/t15-/s2
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n/an/a 7.50E+3n/an/an/an/an/an/a



Evotec UK Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 20: 5329-33 (2010)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM50324922
PNG
((3S)-3-(2-amino-5-chloro-1H-benzimidazol-1-yl)-N-(...)
Show SMILES CC[C@@H](CC(=O)NCC1CCCCC1)n1c(N)nc2cc(Cl)ccc12 |r|
Show InChI InChI=1/C19H27ClN4O/c1-2-15(11-18(25)22-12-13-6-4-3-5-7-13)24-17-9-8-14(20)10-16(17)23-19(24)21/h8-10,13,15H,2-7,11-12H2,1H3,(H2,21,23)(H,22,25)/t15-/s2
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n/an/a 4.20E+4n/an/an/an/an/an/a



Evotec UK Ltd

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D


Bioorg Med Chem Lett 20: 5329-33 (2010)

More data for this
Ligand-Target Pair
Beta-secretase 2 (BACE2)


(Homo sapiens (human))
BDBM50324922
PNG
((3S)-3-(2-amino-5-chloro-1H-benzimidazol-1-yl)-N-(...)
Show SMILES CC[C@@H](CC(=O)NCC1CCCCC1)n1c(N)nc2cc(Cl)ccc12 |r|
Show InChI InChI=1/C19H27ClN4O/c1-2-15(11-18(25)22-12-13-6-4-3-5-7-13)24-17-9-8-14(20)10-16(17)23-19(24)21/h8-10,13,15H,2-7,11-12H2,1H3,(H2,21,23)(H,22,25)/t15-/s2
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n/an/a 8.00E+3n/an/an/an/an/an/a



Evotec UK Ltd

Curated by ChEMBL


Assay Description
Inhibition of human BACE2


Bioorg Med Chem Lett 20: 5329-33 (2010)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))
BDBM50324917
PNG
((S)-3-(2-amino-5-chloro-1H-benzo[d]imidazol-1-yl)-...)
Show SMILES CC(C)C[C@@H](CC(=O)NC(C)C)n1c(N)nc2cc(Cl)ccc12 |r|
Show InChI InChI=1/C17H25ClN4O/c1-10(2)7-13(9-16(23)20-11(3)4)22-15-6-5-12(18)8-14(15)21-17(22)19/h5-6,8,10-11,13H,7,9H2,1-4H3,(H2,19,21)(H,20,23)/t13-/s2
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n/an/a 2.46E+5n/an/an/an/an/an/a



Evotec UK Ltd

Curated by ChEMBL


Assay Description
Inhibition of BACE1 assessed as amyloid beta secretion by cell based assay


Bioorg Med Chem Lett 20: 5329-33 (2010)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))
BDBM50324927
PNG
((S)-3-(2-amino-5-chloro-1H-benzo[d]imidazol-1-yl)-...)
Show SMILES CC[C@@H](CC(=O)NCCC(C)(C)C)n1c(N)nc2cc(Cl)ccc12 |r|
Show InChI InChI=1/C18H27ClN4O/c1-5-13(11-16(24)21-9-8-18(2,3)4)23-15-7-6-12(19)10-14(15)22-17(23)20/h6-7,10,13H,5,8-9,11H2,1-4H3,(H2,20,22)(H,21,24)/t13-/s2
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n/an/a 9.50E+4n/an/an/an/an/an/a



Evotec UK Ltd

Curated by ChEMBL


Assay Description
Inhibition of BACE1 assessed as amyloid beta secretion by cell based assay


Bioorg Med Chem Lett 20: 5329-33 (2010)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))
BDBM50324920
PNG
((S)-3-(2-amino-5-chloro-1H-benzo[d]imidazol-1-yl)-...)
Show SMILES CC[C@@H](CC(=O)NCC1CC1)n1c(N)nc2cc(Cl)ccc12 |r|
Show InChI InChI=1/C16H21ClN4O/c1-2-12(8-15(22)19-9-10-3-4-10)21-14-6-5-11(17)7-13(14)20-16(21)18/h5-7,10,12H,2-4,8-9H2,1H3,(H2,18,20)(H,19,22)/t12-/s2
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n/an/a 2.43E+5n/an/an/an/an/an/a



Evotec UK Ltd

Curated by ChEMBL


Assay Description
Inhibition of BACE1 assessed as amyloid beta secretion by cell based assay


Bioorg Med Chem Lett 20: 5329-33 (2010)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))
BDBM50324918
PNG
((S)-3-(2-amino-5-chloro-1H-benzo[d]imidazol-1-yl)-...)
Show SMILES CC[C@@H](CC(=O)NC(C)C)n1c(N)nc2cc(Cl)ccc12 |r|
Show InChI InChI=1/C15H21ClN4O/c1-4-11(8-14(21)18-9(2)3)20-13-6-5-10(16)7-12(13)19-15(20)17/h5-7,9,11H,4,8H2,1-3H3,(H2,17,19)(H,18,21)/t11-/s2
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n/an/a 6.95E+5n/an/an/an/an/an/a



Evotec UK Ltd

Curated by ChEMBL


Assay Description
Inhibition of BACE1 assessed as amyloid beta secretion by cell based assay


Bioorg Med Chem Lett 20: 5329-33 (2010)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))
BDBM50324922
PNG
((3S)-3-(2-amino-5-chloro-1H-benzimidazol-1-yl)-N-(...)
Show SMILES CC[C@@H](CC(=O)NCC1CCCCC1)n1c(N)nc2cc(Cl)ccc12 |r|
Show InChI InChI=1/C19H27ClN4O/c1-2-15(11-18(25)22-12-13-6-4-3-5-7-13)24-17-9-8-14(20)10-16(17)23-19(24)21/h8-10,13,15H,2-7,11-12H2,1H3,(H2,21,23)(H,22,25)/t15-/s2
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n/an/a 7.00E+3n/an/an/an/an/an/a



Evotec UK Ltd

Curated by ChEMBL


Assay Description
Inhibition of BACE1 assessed as amyloid beta secretion by cell based assay


Bioorg Med Chem Lett 20: 5329-33 (2010)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-secretase (BACE)


(Homo sapiens (Human))
BDBM50324916
PNG
((R)-3-(2-amino-5-chloro-1H-benzo[d]imidazol-1-yl)-...)
Show SMILES CC(C)C[C@H](CC(=O)NC(C)C)n1c(N)nc2cc(Cl)ccc12 |r|
Show InChI InChI=1/C17H25ClN4O/c1-10(2)7-13(9-16(23)20-11(3)4)22-15-6-5-12(18)8-14(15)21-17(22)19/h5-6,8,10-11,13H,7,9H2,1-4H3,(H2,19,21)(H,20,23)/t13-/s2
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n/an/a>1.00E+6n/an/an/an/an/an/a



Evotec UK Ltd

Curated by ChEMBL


Assay Description
Inhibition of BACE1 assessed as amyloid beta secretion by cell based assay


Bioorg Med Chem Lett 20: 5329-33 (2010)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))
BDBM50324923
PNG
((S)-3-(2-amino-5-chloro-1H-benzo[d]imidazol-1-yl)-...)
Show SMILES CC[C@@H](CC(=O)N(C)CC1CCCCC1)n1c(N)nc2cc(Cl)ccc12 |r|
Show InChI InChI=1/C20H29ClN4O/c1-3-16(12-19(26)24(2)13-14-7-5-4-6-8-14)25-18-10-9-15(21)11-17(18)23-20(25)22/h9-11,14,16H,3-8,12-13H2,1-2H3,(H2,22,23)/t16-/s2
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n/an/a 3.75E+5n/an/an/an/an/an/a



Evotec UK Ltd

Curated by ChEMBL


Assay Description
Inhibition of BACE1 assessed as amyloid beta secretion by cell based assay


Bioorg Med Chem Lett 20: 5329-33 (2010)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))
BDBM50324924
PNG
((S)-3-(2-amino-5-chloro-1H-benzo[d]imidazol-1-yl)-...)
Show SMILES CC[C@@H](CC(=O)NCC1CCOCC1)n1c(N)nc2cc(Cl)ccc12 |r|
Show InChI InChI=1/C18H25ClN4O2/c1-2-14(10-17(24)21-11-12-5-7-25-8-6-12)23-16-4-3-13(19)9-15(16)22-18(23)20/h3-4,9,12,14H,2,5-8,10-11H2,1H3,(H2,20,22)(H,21,24)/t14-/s2
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n/an/a>1.00E+6n/an/an/an/an/an/a



Evotec UK Ltd

Curated by ChEMBL


Assay Description
Inhibition of BACE1 assessed as amyloid beta secretion by cell based assay


Bioorg Med Chem Lett 20: 5329-33 (2010)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))
BDBM50324922
PNG
((3S)-3-(2-amino-5-chloro-1H-benzimidazol-1-yl)-N-(...)
Show SMILES CC[C@@H](CC(=O)NCC1CCCCC1)n1c(N)nc2cc(Cl)ccc12 |r|
Show InChI InChI=1/C19H27ClN4O/c1-2-15(11-18(25)22-12-13-6-4-3-5-7-13)24-17-9-8-14(20)10-16(17)23-19(24)21/h8-10,13,15H,2-7,11-12H2,1H3,(H2,21,23)(H,22,25)/t15-/s2
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n/an/a 7.00E+3n/an/an/an/an/an/a



Evotec UK Ltd

Curated by ChEMBL


Assay Description
Inhibition of human BACE1


Bioorg Med Chem Lett 20: 5329-33 (2010)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-secretase (BACE)


(Homo sapiens (Human))
BDBM50324921
PNG
((3S)-3-(2-amino-5-chloro-1H-benzo[d]imidazol-1-yl)...)
Show SMILES CC[C@@H](CC(=O)NCCC1CCNC1)n1c(N)nc2cc(Cl)ccc12 |r|
Show InChI InChI=1/C18H26ClN5O/c1-2-14(10-17(25)22-8-6-12-5-7-21-11-12)24-16-4-3-13(19)9-15(16)23-18(24)20/h3-4,9,12,14,21H,2,5-8,10-11H2,1H3,(H2,20,23)(H,22,25)/t12?,14-/s2
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n/an/a 2.70E+5n/an/an/an/an/an/a



Evotec UK Ltd

Curated by ChEMBL


Assay Description
Inhibition of BACE1 assessed as amyloid beta secretion by cell based assay


Bioorg Med Chem Lett 20: 5329-33 (2010)

More data for this
Ligand-Target Pair