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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Presequence protease, mitochondrial' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
Presequence protease, mitochondrial


(Homo sapiens)
BDBM50449404
PNG
(CHEMBL3127263)
Show SMILES Oc1ccc(Br)cc1CN1C(N(Cc2cc(Br)ccc2O)c2cc(ccc12)[N+]([O-])=O)c1cc(Br)ccc1O
Show InChI InChI=1S/C27H20Br3N3O5/c28-17-1-6-24(34)15(9-17)13-31-22-5-4-20(33(37)38)12-23(22)32(14-16-10-18(29)2-7-25(16)35)27(31)21-11-19(30)3-8-26(21)36/h1-12,27,34-36H,13-14H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/an/an/a 57n/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at human PreP assessed as degradation of fluorogenic substrate V measured for 10 mins by fluorometric analysis


Citation and Details
More data for this
Ligand-Target Pair
Presequence protease, mitochondrial


(Homo sapiens)
BDBM50449405
PNG
(CHEMBL3127264)
Show SMILES Oc1ccc(Br)cc1Cn1c(nc2ccc(cc12)[N+]([O-])=O)-c1cc(Br)ccc1O
Show InChI InChI=1S/C20H13Br2N3O4/c21-12-1-5-18(26)11(7-12)10-24-17-9-14(25(28)29)3-4-16(17)23-20(24)15-8-13(22)2-6-19(15)27/h1-9,26-27H,10H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/an/an/a 152n/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at human PreP assessed as degradation of fluorogenic substrate V measured for 10 mins by fluorometric analysis


Citation and Details
More data for this
Ligand-Target Pair
Presequence protease, mitochondrial


(Homo sapiens)
BDBM50449405
PNG
(CHEMBL3127264)
Show SMILES Oc1ccc(Br)cc1Cn1c(nc2ccc(cc12)[N+]([O-])=O)-c1cc(Br)ccc1O
Show InChI InChI=1S/C20H13Br2N3O4/c21-12-1-5-18(26)11(7-12)10-24-17-9-14(25(28)29)3-4-16(17)23-20(24)15-8-13(22)2-6-19(15)27/h1-9,26-27H,10H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/an/an/a 713n/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at human PreP assessed as degradation of biotin-labeled amyloid beta (1 to 42) after 2.5 hrs by Immunoblotting assay


Citation and Details
More data for this
Ligand-Target Pair
Presequence protease, mitochondrial


(Homo sapiens)
BDBM50449405
PNG
(CHEMBL3127264)
Show SMILES Oc1ccc(Br)cc1Cn1c(nc2ccc(cc12)[N+]([O-])=O)-c1cc(Br)ccc1O
Show InChI InChI=1S/C20H13Br2N3O4/c21-12-1-5-18(26)11(7-12)10-24-17-9-14(25(28)29)3-4-16(17)23-20(24)15-8-13(22)2-6-19(15)27/h1-9,26-27H,10H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/an/an/a 12n/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at human PreP assessed as degradation of ATP synthase pF1beta subunit (2 to 56) after 2.5 hrs by Immunoblotting assay


Citation and Details
More data for this
Ligand-Target Pair
Presequence protease, mitochondrial


(Homo sapiens)
BDBM50449404
PNG
(CHEMBL3127263)
Show SMILES Oc1ccc(Br)cc1CN1C(N(Cc2cc(Br)ccc2O)c2cc(ccc12)[N+]([O-])=O)c1cc(Br)ccc1O
Show InChI InChI=1S/C27H20Br3N3O5/c28-17-1-6-24(34)15(9-17)13-31-22-5-4-20(33(37)38)12-23(22)32(14-16-10-18(29)2-7-25(16)35)27(31)21-11-19(30)3-8-26(21)36/h1-12,27,34-36H,13-14H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/an/an/a 402n/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at human PreP assessed as degradation of biotin-labeled amyloid beta (1 to 42) after 2.5 hrs by Immunoblotting assay


Citation and Details
More data for this
Ligand-Target Pair
Presequence protease, mitochondrial


(Homo sapiens)
BDBM50449404
PNG
(CHEMBL3127263)
Show SMILES Oc1ccc(Br)cc1CN1C(N(Cc2cc(Br)ccc2O)c2cc(ccc12)[N+]([O-])=O)c1cc(Br)ccc1O
Show InChI InChI=1S/C27H20Br3N3O5/c28-17-1-6-24(34)15(9-17)13-31-22-5-4-20(33(37)38)12-23(22)32(14-16-10-18(29)2-7-25(16)35)27(31)21-11-19(30)3-8-26(21)36/h1-12,27,34-36H,13-14H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/an/an/a 601n/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at human PreP assessed as degradation of ATP synthase pF1beta subunit (2 to 56) after 2.5 hrs by Immunoblotting assay


Citation and Details
More data for this
Ligand-Target Pair