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7 similar compounds to monomer 16751

Compile data set for download or QSAR
Wt: 387.2
BDBM50231472
Wt: 370.8
BDBM50231474
Wt: 332.3
BDBM50231476
Wt: 352.8
BDBM50231477
Wt: 362.4
BDBM50231488
Wt: 410.4
BDBM50231490
Wt: 440.4
BDBM50231500

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50231472,50231474,50231476,50231477,50231488,50231490,50231500   
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
Beta-secretase 1


(Homo sapiens (Human))
BDBM50231488
PNG
(CHEMBL253214 | N-{2-[2-(4-ethoxy-phenyl)-5-phenyl-...)
Show SMILES CCOc1ccc(cc1)-c1ccc(-c2ccccc2)n1CC(=O)NC(N)=N
Show InChI InChI=1S/C21H22N4O2/c1-2-27-17-10-8-16(9-11-17)19-13-12-18(15-6-4-3-5-7-15)25(19)14-20(26)24-21(22)23/h3-13H,2,14H2,1H3,(H4,22,23,24,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of BACE1 by FRET assay


Bioorg Med Chem Lett 18: 1063-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.010
BindingDB Entry DOI: 10.7270/Q22807CT
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50231477
PNG
(CHEMBL404860 | N-{2-[2-(2-chloro-phenyl)-5-phenyl-...)
Show SMILES NC(=N)NC(=O)Cn1c(ccc1-c1ccccc1Cl)-c1ccccc1
Show InChI InChI=1S/C19H17ClN4O/c20-15-9-5-4-8-14(15)17-11-10-16(13-6-2-1-3-7-13)24(17)12-18(25)23-19(21)22/h1-11H,12H2,(H4,21,22,23,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of BACE1 by FRET assay


Bioorg Med Chem Lett 18: 1063-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.010
BindingDB Entry DOI: 10.7270/Q22807CT
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50231474
PNG
(CHEMBL252626 | N-{2-[2-(2-chloro-phenyl)-5-(4-fluo...)
Show SMILES NC(=N)NC(=O)Cn1c(ccc1-c1ccccc1Cl)-c1ccc(F)cc1
Show InChI InChI=1S/C19H16ClFN4O/c20-15-4-2-1-3-14(15)17-10-9-16(12-5-7-13(21)8-6-12)25(17)11-18(26)24-19(22)23/h1-10H,11H2,(H4,22,23,24,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of BACE1 by FRET assay


Bioorg Med Chem Lett 18: 1063-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.010
BindingDB Entry DOI: 10.7270/Q22807CT
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50231472
PNG
(CHEMBL399837 | N-{2-[2-(2,5-dichloro-phenyl)-5-phe...)
Show SMILES NC(=N)NC(=O)Cn1c(ccc1-c1cc(Cl)ccc1Cl)-c1ccccc1
Show InChI InChI=1S/C19H16Cl2N4O/c20-13-6-7-15(21)14(10-13)17-9-8-16(12-4-2-1-3-5-12)25(17)11-18(26)24-19(22)23/h1-10H,11H2,(H4,22,23,24,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.50E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of BACE1 by FRET assay


Bioorg Med Chem Lett 18: 1063-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.010
BindingDB Entry DOI: 10.7270/Q22807CT
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50231490
PNG
(CHEMBL253863 | N-{2-[2-(4-phenoxy-phenyl)-5-phenyl...)
Show SMILES NC(=N)NC(=O)Cn1c(ccc1-c1ccc(Oc2ccccc2)cc1)-c1ccccc1
Show InChI InChI=1S/C25H22N4O2/c26-25(27)28-24(30)17-29-22(18-7-3-1-4-8-18)15-16-23(29)19-11-13-21(14-12-19)31-20-9-5-2-6-10-20/h1-16H,17H2,(H4,26,27,28,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of BACE1 by FRET assay


Bioorg Med Chem Lett 18: 1063-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.010
BindingDB Entry DOI: 10.7270/Q22807CT
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50231500
PNG
(CHEMBL254057 | N-{2-[2-(4-methoxy-phenyl)-5-(4-phe...)
Show SMILES COc1ccc(cc1)-c1ccc(-c2ccc(Oc3ccccc3)cc2)n1CC(=O)NC(N)=N
Show InChI InChI=1S/C26H24N4O3/c1-32-20-11-7-18(8-12-20)23-15-16-24(30(23)17-25(31)29-26(27)28)19-9-13-22(14-10-19)33-21-5-3-2-4-6-21/h2-16H,17H2,1H3,(H4,27,28,29,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 500n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of BACE1 by FRET assay


Bioorg Med Chem Lett 18: 1063-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.010
BindingDB Entry DOI: 10.7270/Q22807CT
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50231476
PNG
(CHEMBL399423 | N-[2-(2-Phenyl-5-m-tolyl-pyrrol-1-y...)
Show SMILES Cc1cccc(c1)-c1ccc(-c2ccccc2)n1CC(=O)NC(N)=N
Show InChI InChI=1S/C20H20N4O/c1-14-6-5-9-16(12-14)18-11-10-17(15-7-3-2-4-8-15)24(18)13-19(25)23-20(21)22/h2-12H,13H2,1H3,(H4,21,22,23,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.60E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of BACE1 by FRET assay


Bioorg Med Chem Lett 18: 1063-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.010
BindingDB Entry DOI: 10.7270/Q22807CT
More data for this
Ligand-Target Pair