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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Acrosin' and Ligand = 'BDBM50382109'   
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
Acrosin


(Homo sapiens (Human))
BDBM50382109
PNG
(CHEMBL2023319)
Show SMILES Clc1ccc(-c2cc(C=O)no2)c(Cl)c1
Show InChI InChI=1S/C10H5Cl2NO2/c11-6-1-2-8(9(12)3-6)10-4-7(5-14)13-15-10/h1-5H
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n/an/a 3.90E+5n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of human acrosin using N-alpha-benzoyl-L-arginine p-nitroanilide as substrate after 3 hrs by spectrophotometry


Bioorg Med Chem Lett 24: 2802-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.118
BindingDB Entry DOI: 10.7270/Q2J38V4S
More data for this
Ligand-Target Pair
Acrosin


(Homo sapiens (Human))
BDBM50382109
PNG
(CHEMBL2023319)
Show SMILES Clc1ccc(-c2cc(C=O)no2)c(Cl)c1
Show InChI InChI=1S/C10H5Cl2NO2/c11-6-1-2-8(9(12)3-6)10-4-7(5-14)13-15-10/h1-5H
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n/an/a 3.90E+5n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of human sperm acrosin using BAPNA as substrate after 3 hrs by spectrophotometric analysis


Bioorg Med Chem Lett 23: 4177-84 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.031
BindingDB Entry DOI: 10.7270/Q25Q4XHT
More data for this
Ligand-Target Pair
Acrosin


(Homo sapiens (Human))
BDBM50382109
PNG
(CHEMBL2023319)
Show SMILES Clc1ccc(-c2cc(C=O)no2)c(Cl)c1
Show InChI InChI=1S/C10H5Cl2NO2/c11-6-1-2-8(9(12)3-6)10-4-7(5-14)13-15-10/h1-5H
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n/an/a 1.70E+6n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of acrosin in human spermatozoa assessed as effect on amidase activity after 3 hrs incubation by spectrophotometry


Bioorg Med Chem Lett 22: 3554-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.042
BindingDB Entry DOI: 10.7270/Q2HT2QBG
More data for this
Ligand-Target Pair
Acrosin


(Homo sapiens (Human))
BDBM50382109
PNG
(CHEMBL2023319)
Show SMILES Clc1ccc(-c2cc(C=O)no2)c(Cl)c1
Show InChI InChI=1S/C10H5Cl2NO2/c11-6-1-2-8(9(12)3-6)10-4-7(5-14)13-15-10/h1-5H
PDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.90E+7n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of human acrosin using N-alpha-benzoyl-DL-arginine para-nitroanilide-HCl as substrate after 3 hrs by spectrophotometry


Eur J Med Chem 59: 176-82 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.005
BindingDB Entry DOI: 10.7270/Q23X87ZB
More data for this
Ligand-Target Pair