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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Meprin A subunit beta' and Ligand = 'BDBM50089194'   
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
Meprin A subunit beta


(Homo sapiens)
BDBM50089194
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-1-((S)-2-hydroxymethyl-...)
Show SMILES CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CO
Show InChI InChI=1S/C19H35N3O5/c1-4-5-6-8-14(11-16(24)21-27)18(25)20-17(13(2)3)19(26)22-10-7-9-15(22)12-23/h13-15,17,23,27H,4-12H2,1-3H3,(H,20,25)(H,21,24)/t14-,15+,17+/m1/s1
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KEGG
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PC sid
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Article
PubMed
2.00E+3n/an/an/an/an/an/an/an/a



Fraunhofer Institute for Cell Therapy and Immunology IZI

Curated by ChEMBL


Assay Description
Inhibition of recombinant human meprin beta expressed in baculovirus infected insect cells using N-benzoyl-L-tyrosyl-p-aminobenzoic acid as substrate


J Med Chem 61: 4578-4592 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00330
BindingDB Entry DOI: 10.7270/Q2KS6V47
More data for this
Ligand-Target Pair
Meprin A subunit beta


(Homo sapiens)
BDBM50089194
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-1-((S)-2-hydroxymethyl-...)
Show SMILES CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CO
Show InChI InChI=1S/C19H35N3O5/c1-4-5-6-8-14(11-16(24)21-27)18(25)20-17(13(2)3)19(26)22-10-7-9-15(22)12-23/h13-15,17,23,27H,4-12H2,1-3H3,(H,20,25)(H,21,24)/t14-,15+,17+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

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



Fraunhofer Institute for Cell Therapy and Immunology IZI

Curated by ChEMBL


Assay Description
Inhibition of human meprin beta expressed in baculovirus infected BTI-TN-5B1-4 insect cells using N-benzoyl-L-tyrosylp-aminobenzoic acid as substrate


Bioorg Med Chem Lett 27: 2428-2431 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.012
BindingDB Entry DOI: 10.7270/Q2CR5WH0
More data for this
Ligand-Target Pair