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6 similar compounds to monomer 50324903

Compile data set for download or QSAR
Wt: 294.7
BDBM50324904		Wt: 349.8
BDBM50324906		Wt: 348.8
BDBM50324908		Wt: 349.8
BDBM50324909		Wt: 306.7
BDBM50324911
Wt: 362.8
BDBM50324913

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50324904,50324906,50324908,50324909,50324911,50324913   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Beta-secretase 1


(Homo sapiens (Human))		BDBM50324908
PNG
(4-(2-amino-5-chloro-1H-benzo[d]imidazol-1-yl)-N-(c...)
Show SMILES Nc1nc2cc(Cl)ccc2n1CCCC(=O)NCC1CCCCC1
Show InChI InChI=1S/C18H25ClN4O/c19-14-8-9-16-15(11-14)22-18(20)23(16)10-4-7-17(24)21-12-13-5-2-1-3-6-13/h8-9,11,13H,1-7,10,12H2,(H2,20,22)(H,21,24)
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n/an/a 8.30E+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)


Article DOI: 10.1016/j.bmcl.2010.06.089
BindingDB Entry DOI: 10.7270/Q2VQ32W7
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50324909
PNG
(4-(2-amino-5-chloro-1H-benzo[d]imidazol-1-yl)-N-(1...)
Show SMILES CN1CCC(CC1)NC(=O)CCCn1c(N)nc2cc(Cl)ccc12
Show InChI InChI=1S/C17H24ClN5O/c1-22-9-6-13(7-10-22)20-16(24)3-2-8-23-15-5-4-12(18)11-14(15)21-17(23)19/h4-5,11,13H,2-3,6-10H2,1H3,(H2,19,21)(H,20,24)
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n/an/a 3.25E+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)


Article DOI: 10.1016/j.bmcl.2010.06.089
BindingDB Entry DOI: 10.7270/Q2VQ32W7
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50324904
PNG
(4-(2-amino-5-chloro-1H-benzo[d]imidazol-1-yl)-N-is...)
Show SMILES CC(C)NC(=O)CCCn1c(N)nc2cc(Cl)ccc12
Show InChI InChI=1S/C14H19ClN4O/c1-9(2)17-13(20)4-3-7-19-12-6-5-10(15)8-11(12)18-14(19)16/h5-6,8-9H,3-4,7H2,1-2H3,(H2,16,18)(H,17,20)
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n/an/a 1.93E+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)


Article DOI: 10.1016/j.bmcl.2010.06.089
BindingDB Entry DOI: 10.7270/Q2VQ32W7
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50324906
PNG
(4-(2-amino-5-chloro-1H-benzo[d]imidazol-1-yl)-N-(2...)
Show SMILES Nc1nc2cc(Cl)ccc2n1CCCC(=O)NCCC1CCNC1
Show InChI InChI=1S/C17H24ClN5O/c18-13-3-4-15-14(10-13)22-17(19)23(15)9-1-2-16(24)21-8-6-12-5-7-20-11-12/h3-4,10,12,20H,1-2,5-9,11H2,(H2,19,22)(H,21,24)
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n/an/a 4.44E+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)


Article DOI: 10.1016/j.bmcl.2010.06.089
BindingDB Entry DOI: 10.7270/Q2VQ32W7
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50324913
PNG
(4-(2-amino-5-chloro-1H-benzo[d]imidazol-1-yl)-N-(c...)
Show SMILES CN(CC1CCCCC1)C(=O)CCCn1c(N)nc2cc(Cl)ccc12
Show InChI InChI=1S/C19H27ClN4O/c1-23(13-14-6-3-2-4-7-14)18(25)8-5-11-24-17-10-9-15(20)12-16(17)22-19(24)21/h9-10,12,14H,2-8,11,13H2,1H3,(H2,21,22)
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n/an/a 5.90E+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)


Article DOI: 10.1016/j.bmcl.2010.06.089
BindingDB Entry DOI: 10.7270/Q2VQ32W7
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50324911
PNG
(4-(2-amino-5-chloro-1H-benzo[d]imidazol-1-yl)-N-(c...)
Show SMILES Nc1nc2cc(Cl)ccc2n1CCCC(=O)NCC1CC1
Show InChI InChI=1S/C15H19ClN4O/c16-11-5-6-13-12(8-11)19-15(17)20(13)7-1-2-14(21)18-9-10-3-4-10/h5-6,8,10H,1-4,7,9H2,(H2,17,19)(H,18,21)
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n/an/a 2.85E+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)


Article DOI: 10.1016/j.bmcl.2010.06.089
BindingDB Entry DOI: 10.7270/Q2VQ32W7
More data for this
Ligand-Target Pair