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8 similar compounds to monomer 50144922

Compile data set for download or QSAR
Wt: 373.8
BDBM50144907
Wt: 351.3
BDBM50144904
Wt: 353.4
BDBM50144906
Wt: 418.3
BDBM50144908
Wt: 325.3
BDBM50144919
Wt: 315.3
BDBM50144912
Wt: 315.3
BDBM50144916
Wt: 301.2
BDBM50144921

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50144907,50144904,50144906,50144908,50144919,50144912,50144916,50144921   
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
Epoxide hydratase


(Homo sapiens (Human))
BDBM50144904
PNG
(CHEMBL3763787)
Show SMILES OC(=O)CCc1ccc(cc1)C(=O)NCc1ccccc1C(F)(F)F
Show InChI InChI=1S/C18H16F3NO3/c19-18(20,21)15-4-2-1-3-14(15)11-22-17(25)13-8-5-12(6-9-13)7-10-16(23)24/h1-6,8-9H,7,10-11H2,(H,22,25)(H,23,24)
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Article
PubMed
n/an/a 9.00E+3n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant sEH using PHOME as substrate preincubated for 30 mins followed by substrate addition measured for 30 mins by fluoresc...


J Med Chem 59: 61-81 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01239
BindingDB Entry DOI: 10.7270/Q2348N8D
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50144906
PNG
(CHEMBL3765160)
Show SMILES CCOC(=O)C(CC)Cc1ccc(cc1)C(=O)NCc1ccccc1C
Show InChI InChI=1S/C22H27NO3/c1-4-18(22(25)26-5-2)14-17-10-12-19(13-11-17)21(24)23-15-20-9-7-6-8-16(20)3/h6-13,18H,4-5,14-15H2,1-3H3,(H,23,24)
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PubMed
n/an/a 900n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant sEH using PHOME as substrate preincubated for 30 mins followed by substrate addition measured for 30 mins by fluoresc...


J Med Chem 59: 61-81 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01239
BindingDB Entry DOI: 10.7270/Q2348N8D
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50144907
PNG
(CHEMBL3763549)
Show SMILES CCOC(=O)C(CC)Cc1ccc(cc1)C(=O)NCc1ccccc1Cl
Show InChI InChI=1S/C21H24ClNO3/c1-3-16(21(25)26-4-2)13-15-9-11-17(12-10-15)20(24)23-14-18-7-5-6-8-19(18)22/h5-12,16H,3-4,13-14H2,1-2H3,(H,23,24)
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PubMed
n/an/a 3.80E+3n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant sEH using PHOME as substrate preincubated for 30 mins followed by substrate addition measured for 30 mins by fluoresc...


J Med Chem 59: 61-81 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01239
BindingDB Entry DOI: 10.7270/Q2348N8D
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50144908
PNG
(CHEMBL3763225)
Show SMILES CCOC(=O)C(CC)Cc1ccc(cc1)C(=O)NCc1ccccc1Br
Show InChI InChI=1S/C21H24BrNO3/c1-3-16(21(25)26-4-2)13-15-9-11-17(12-10-15)20(24)23-14-18-7-5-6-8-19(18)22/h5-12,16H,3-4,13-14H2,1-2H3,(H,23,24)
PDB

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Article
PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant sEH using PHOME as substrate preincubated for 30 mins followed by substrate addition measured for 30 mins by fluoresc...


J Med Chem 59: 61-81 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01239
BindingDB Entry DOI: 10.7270/Q2348N8D
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50144912
PNG
(CHEMBL3764097)
Show SMILES CC(C)C[C@H](NC(=O)NCc1ccc(F)c(F)c1)C(=O)NO
Show InChI InChI=1S/C14H19F2N3O3/c1-8(2)5-12(13(20)19-22)18-14(21)17-7-9-3-4-10(15)11(16)6-9/h3-4,6,8,12,22H,5,7H2,1-2H3,(H,19,20)(H2,17,18,21)/t12-/m0/s1
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Article
PubMed
n/an/a 420n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of APN in porcine kidney microsomes preincubated for 5 mins before L-leu-p-nitroanilide substrate addition for 30 mins by plate reader ana...


Eur J Med Chem 108: 21-7 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.021
BindingDB Entry DOI: 10.7270/Q2ZC84RN
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (Human))
BDBM50144921
PNG
(CHEMBL3764011)
Show SMILES CC(C)C[C@H](NC(=O)Nc1ccc(F)cc1F)C(=O)NO
Show InChI InChI=1S/C13H17F2N3O3/c1-7(2)5-11(12(19)18-21)17-13(20)16-10-4-3-8(14)6-9(10)15/h3-4,6-7,11,21H,5H2,1-2H3,(H,18,19)(H2,16,17,20)/t11-/m0/s1
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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/HDAC2 in human HeLa cells nuclear extract preincubated for 5 mins before Boc-Lys (acetyl)-AMC substrate addition for 30 mins by m...


Eur J Med Chem 108: 21-7 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.021
BindingDB Entry DOI: 10.7270/Q2ZC84RN
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50144919
PNG
(CHEMBL3763451)
Show SMILES COc1ccc(NC(=O)N[C@@H](CC(C)C)C(=O)NO)c(OC)c1
Show InChI InChI=1S/C15H23N3O5/c1-9(2)7-12(14(19)18-21)17-15(20)16-11-6-5-10(22-3)8-13(11)23-4/h5-6,8-9,12,21H,7H2,1-4H3,(H,18,19)(H2,16,17,20)/t12-/m0/s1
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Article
PubMed
n/an/a 460n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of APN in porcine kidney microsomes preincubated for 5 mins before L-leu-p-nitroanilide substrate addition for 30 mins by plate reader ana...


Eur J Med Chem 108: 21-7 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.021
BindingDB Entry DOI: 10.7270/Q2ZC84RN
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50144921
PNG
(CHEMBL3764011)
Show SMILES CC(C)C[C@H](NC(=O)Nc1ccc(F)cc1F)C(=O)NO
Show InChI InChI=1S/C13H17F2N3O3/c1-7(2)5-11(12(19)18-21)17-13(20)16-10-4-3-8(14)6-9(10)15/h3-4,6-7,11,21H,5H2,1-2H3,(H,18,19)(H2,16,17,20)/t11-/m0/s1
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Article
PubMed
n/an/a 340n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of APN in porcine kidney microsomes preincubated for 5 mins before L-leu-p-nitroanilide substrate addition for 30 mins by plate reader ana...


Eur J Med Chem 108: 21-7 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.021
BindingDB Entry DOI: 10.7270/Q2ZC84RN
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (Human))
BDBM50144919
PNG
(CHEMBL3763451)
Show SMILES COc1ccc(NC(=O)N[C@@H](CC(C)C)C(=O)NO)c(OC)c1
Show InChI InChI=1S/C15H23N3O5/c1-9(2)7-12(14(19)18-21)17-15(20)16-11-6-5-10(22-3)8-13(11)23-4/h5-6,8-9,12,21H,7H2,1-4H3,(H,18,19)(H2,16,17,20)/t12-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/HDAC2 in human HeLa cells nuclear extract preincubated for 5 mins before Boc-Lys (acetyl)-AMC substrate addition for 30 mins by m...


Eur J Med Chem 108: 21-7 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.021
BindingDB Entry DOI: 10.7270/Q2ZC84RN
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (Human))
BDBM50144916
PNG
(CHEMBL3763665)
Show SMILES CC(C)C[C@H](NC(=O)NCc1c(F)cccc1F)C(=O)NO
Show InChI InChI=1S/C14H19F2N3O3/c1-8(2)6-12(13(20)19-22)18-14(21)17-7-9-10(15)4-3-5-11(9)16/h3-5,8,12,22H,6-7H2,1-2H3,(H,19,20)(H2,17,18,21)/t12-/m0/s1
PDB

UniProtKB/SwissProt

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PC sid
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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/HDAC2 in human HeLa cells nuclear extract preincubated for 5 mins before Boc-Lys (acetyl)-AMC substrate addition for 30 mins by m...


Eur J Med Chem 108: 21-7 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.021
BindingDB Entry DOI: 10.7270/Q2ZC84RN
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (Human))
BDBM50144912
PNG
(CHEMBL3764097)
Show SMILES CC(C)C[C@H](NC(=O)NCc1ccc(F)c(F)c1)C(=O)NO
Show InChI InChI=1S/C14H19F2N3O3/c1-8(2)5-12(13(20)19-22)18-14(21)17-7-9-3-4-10(15)11(16)6-9/h3-4,6,8,12,22H,5,7H2,1-2H3,(H,19,20)(H2,17,18,21)/t12-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/HDAC2 in human HeLa cells nuclear extract preincubated for 5 mins before Boc-Lys (acetyl)-AMC substrate addition for 30 mins by m...


Eur J Med Chem 108: 21-7 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.021
BindingDB Entry DOI: 10.7270/Q2ZC84RN
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50144916
PNG
(CHEMBL3763665)
Show SMILES CC(C)C[C@H](NC(=O)NCc1c(F)cccc1F)C(=O)NO
Show InChI InChI=1S/C14H19F2N3O3/c1-8(2)6-12(13(20)19-22)18-14(21)17-7-9-10(15)4-3-5-11(9)16/h3-5,8,12,22H,6-7H2,1-2H3,(H,19,20)(H2,17,18,21)/t12-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 690n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of APN in porcine kidney microsomes preincubated for 5 mins before L-leu-p-nitroanilide substrate addition for 30 mins by plate reader ana...


Eur J Med Chem 108: 21-7 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.021
BindingDB Entry DOI: 10.7270/Q2ZC84RN
More data for this
Ligand-Target Pair