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PubMed code 28728898

Compile data set for download or QSAR
Found 3 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Aminopeptidase N


(Sus scrofa (Pig))		BDBM23971
PNG
((2S)-2-[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanami...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C16H24N2O4/c1-10(2)8-13(16(21)22)18-15(20)14(19)12(17)9-11-6-4-3-5-7-11/h3-7,10,12-14,19H,8-9,17H2,1-2H3,(H,18,20)(H,21,22)/t12-,13+,14+/m1/s1
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PubMed
 2.10E+3n/an/an/an/an/an/an/an/a



Universidad de La Habana

Curated by ChEMBL


Assay Description
Inhibition of human cytomegalovirus DNA polymerase (95 uL) activity in a solution containing 6.4 mM HEPES (pH 7.5), incubation for 12 minutes at 26 d...

Bioorg Med Chem 25: 4628-4636 (2017)


Article DOI: 10.1016/j.bmc.2017.06.047
BindingDB Entry DOI: 10.7270/Q2MS3W75
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Aminopeptidase N


(Sus scrofa (Pig))		BDBM50260370
PNG
(CHEMBL4069204)
Show SMILES OC(=O)[C@H](Cc1ccccc1)NCC(=O)NC1CCCCC1 |r|
Show InChI InChI=1S/C17H24N2O3/c20-16(19-14-9-5-2-6-10-14)12-18-15(17(21)22)11-13-7-3-1-4-8-13/h1,3-4,7-8,14-15,18H,2,5-6,9-12H2,(H,19,20)(H,21,22)/t15-/m0/s1
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PubMed
 2.10E+4n/an/an/an/an/an/an/an/a



Universidad de La Habana

Curated by ChEMBL


Assay Description
Inhibition of human delta DNA polymerase (95 uL) activity in a solution containg 6.4 mM HEPES (pH 7.5) upon incubation for 12 minutes at 26 degrees C...

Bioorg Med Chem 25: 4628-4636 (2017)


Article DOI: 10.1016/j.bmc.2017.06.047
BindingDB Entry DOI: 10.7270/Q2MS3W75
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))		BDBM50260369
PNG
(CHEMBL4063178)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NCC(=O)NC1CCCCC1 |r|
Show InChI InChI=1S/C19H25N3O3/c23-18(22-14-6-2-1-3-7-14)12-21-17(19(24)25)10-13-11-20-16-9-5-4-8-15(13)16/h4-5,8-9,11,14,17,20-21H,1-3,6-7,10,12H2,(H,22,23)(H,24,25)/t17-/m0/s1
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PubMed
 2.40E+4n/an/an/an/an/an/an/an/a



Universidad de La Habana

Curated by ChEMBL


Assay Description
Inhibition of Varicella-Zoster virus DNA polymerase (95 uL) activity in a solution containing 6.4 mM HEPES (pH 7.5), incubation for 12 minutes at 26 ...

Bioorg Med Chem 25: 4628-4636 (2017)


Article DOI: 10.1016/j.bmc.2017.06.047
BindingDB Entry DOI: 10.7270/Q2MS3W75
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%