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7 similar compounds to monomer 50131424

Compile data set for download or QSAR
Wt: 322.2
BDBM50105574
Wt: 364.4
BDBM50131400
Wt: 355.4
BDBM50131412
Wt: 282.3
BDBM50131415
Wt: 256.3
BDBM50131422
Wt: 288.3
BDBM50131421
Wt: 330.8
BDBM50105581

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50105574,50131400,50131412,50131415,50131422,50131421,50105581   
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
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50105574
PNG
(CHEMBL3597443)
Show SMILES NC1CCc2cccc(-c3ccc(Cl)cc3)c2CC1=O
Show InChI InChI=1S/C17H16ClNO/c18-13-7-4-12(5-8-13)14-3-1-2-11-6-9-16(19)17(20)10-15(11)14/h1-5,7-8,16H,6,9-10,19H2
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Article
PubMed
2n/an/an/an/an/an/an/an/a



Universit£ de Haute Alsace

Curated by ChEMBL


Assay Description
Inhibition of porcine kidney APN assessed as decrease in p-nitroanilide release using L-leucine-p-nitroanilide as substrate by spectrophotometric ana...


Bioorg Med Chem 23: 3192-207 (2015)


Article DOI: 10.1016/j.bmc.2015.04.066
BindingDB Entry DOI: 10.7270/Q2Z321DW
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50105581
PNG
(CHEMBL3597449)
Show SMILES NC1CCc2cccc(-c3cccc(c3)C(N)=O)c2CC1=O
Show InChI InChI=1S/C18H18N2O2/c19-16-8-7-11-3-2-6-14(15(11)10-17(16)21)12-4-1-5-13(9-12)18(20)22/h1-6,9,16H,7-8,10,19H2,(H2,20,22)
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10n/an/an/an/an/an/an/an/a



Universit£ de Haute Alsace

Curated by ChEMBL


Assay Description
Inhibition of porcine kidney APN assessed as decrease in p-nitroanilide release using L-leucine-p-nitroanilide as substrate by spectrophotometric ana...


Bioorg Med Chem 23: 3192-207 (2015)


Article DOI: 10.1016/j.bmc.2015.04.066
BindingDB Entry DOI: 10.7270/Q2Z321DW
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50131400
PNG
(CHEMBL3634876)
Show SMILES CCN(CC)C(=O)Cn1c(cc2c(C)cc(C)cc12)-c1ccc(OC)cc1
Show InChI InChI=1S/C23H28N2O2/c1-6-24(7-2)23(26)15-25-21(18-8-10-19(27-5)11-9-18)14-20-17(4)12-16(3)13-22(20)25/h8-14H,6-7,15H2,1-5H3
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KEGG

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Article
PubMed
28n/an/an/an/an/an/an/an/a



University of New South Wales

Curated by ChEMBL


Assay Description
Inhibition constant against Adenosine A2a receptor


J Med Chem 58: 8743-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01288
BindingDB Entry DOI: 10.7270/Q2Q24222
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50131400
PNG
(CHEMBL3634876)
Show SMILES CCN(CC)C(=O)Cn1c(cc2c(C)cc(C)cc12)-c1ccc(OC)cc1
Show InChI InChI=1S/C23H28N2O2/c1-6-24(7-2)23(26)15-25-21(18-8-10-19(27-5)11-9-18)14-20-17(4)12-16(3)13-22(20)25/h8-14H,6-7,15H2,1-5H3
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806n/an/an/an/an/an/an/an/a



University of New South Wales

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in human T98G cell membranes incubated for 90 mins by competition radioligand binding assay


J Med Chem 58: 8743-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01288
BindingDB Entry DOI: 10.7270/Q2Q24222
More data for this
Ligand-Target Pair
DNA ligase


(Staphylococcus aureus)
BDBM50131412
PNG
(CHEMBL3632794)
Show SMILES CC(C)(C)c1nc(-c2nc(CO)cs2)c2c(N)c(C#N)c(N)nc2n1
Show InChI InChI=1S/C16H17N7OS/c1-16(2,3)15-21-11(14-20-7(5-24)6-25-14)9-10(18)8(4-17)12(19)22-13(9)23-15/h6,24H,5H2,1-3H3,(H4,18,19,21,22,23)
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Article
PubMed
n/an/a 84n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus NAD(+)-dependent DNA ligase


Bioorg Med Chem Lett 25: 5172-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.075
BindingDB Entry DOI: 10.7270/Q2KD20RN
More data for this
Ligand-Target Pair
DNA ligase


(Staphylococcus aureus)
BDBM50131415
PNG
(CHEMBL3632765)
Show SMILES Nc1nc2nc(CC3CCCCC3)ncc2c(N)c1C#N
Show InChI InChI=1S/C15H18N6/c16-7-10-13(17)11-8-19-12(20-15(11)21-14(10)18)6-9-4-2-1-3-5-9/h8-9H,1-6H2,(H4,17,18,19,20,21)
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n/an/a 3.70E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus NAD(+)-dependent DNA ligase


Bioorg Med Chem Lett 25: 5172-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.075
BindingDB Entry DOI: 10.7270/Q2KD20RN
More data for this
Ligand-Target Pair
DNA ligase


(Staphylococcus aureus)
BDBM50131421
PNG
(CHEMBL3632770)
Show SMILES CSc1nc(nc2nc(N)c(C#N)c(N)c12)C(C)(C)C
Show InChI InChI=1S/C13H16N6S/c1-13(2,3)12-18-10-7(11(19-12)20-4)8(15)6(5-14)9(16)17-10/h1-4H3,(H4,15,16,17,18,19)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 59n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus NAD(+)-dependent DNA ligase


Bioorg Med Chem Lett 25: 5172-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.075
BindingDB Entry DOI: 10.7270/Q2KD20RN
More data for this
Ligand-Target Pair
DNA ligase


(Staphylococcus aureus)
BDBM50131422
PNG
(CHEMBL3632771)
Show SMILES Cc1nc(nc2nc(N)c(C#N)c(N)c12)C(C)(C)C
Show InChI InChI=1S/C13H16N6/c1-6-8-9(15)7(5-14)10(16)18-11(8)19-12(17-6)13(2,3)4/h1-4H3,(H4,15,16,17,18,19)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 220n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus NAD(+)-dependent DNA ligase


Bioorg Med Chem Lett 25: 5172-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.075
BindingDB Entry DOI: 10.7270/Q2KD20RN
More data for this
Ligand-Target Pair