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Compile Data Set for Download or QSAR

Found 249 hits Enz. Inhib. hit(s) with Target = 'Acrosin'   
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
Acrosin


(Homo sapiens)
BDBM50356332
PNG
(CHEMBL1911252 | CHEMBL554140)
Show SMILES COC(=O)c1ccc(OC(=O)c2ccc(cc2)N=C(N)N)cc1
Show InChI InChI=1S/C16H15N3O4/c1-22-14(20)10-4-8-13(9-5-10)23-15(21)11-2-6-12(7-3-11)19-16(17)18/h2-9H,1H3,(H4,17,18,19)
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n/an/a 0.670n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human acrosin and control activity being 11.3 umol/min/mg


J Med Chem 29: 514-9 (1986)

More data for this
Ligand-Target Pair
Acrosin


(Homo sapiens)
BDBM50405335
PNG
(CHEMBL151747)
Show SMILES NC(N)=Nc1ccc(cc1)C(=O)Oc1ccc(cc1)C#N
Show InChI InChI=1S/C15H12N4O2/c16-9-10-1-7-13(8-2-10)21-14(20)11-3-5-12(6-4-11)19-15(17)18/h1-8H,(H4,17,18,19)
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n/an/a 1.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human acrosin and control activity being 11.3 umol/min/mg


J Med Chem 29: 514-9 (1986)

More data for this
Ligand-Target Pair
Acrosin


(Homo sapiens)
BDBM50405344
PNG
(CHEMBL357455)
Show SMILES NC(N)=Nc1ccc(cc1)C(=O)Oc1ccc(Cl)cc1
Show InChI InChI=1S/C14H12ClN3O2/c15-10-3-7-12(8-4-10)20-13(19)9-1-5-11(6-2-9)18-14(16)17/h1-8H,(H4,16,17,18)
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n/an/a 3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human acrosin and control activity being 11.3 umol/min/mg


J Med Chem 29: 514-9 (1986)

More data for this
Ligand-Target Pair
Acrosin


(Homo sapiens)
BDBM50405350
PNG
(CHEMBL151454)
Show SMILES Cc1ccc(OC(=O)c2ccc(cc2)N=C(N)N)cc1
Show InChI InChI=1S/C15H15N3O2/c1-10-2-8-13(9-3-10)20-14(19)11-4-6-12(7-5-11)18-15(16)17/h2-9H,1H3,(H4,16,17,18)
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n/an/a 3.30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human acrosin and control activity being 11.3 umol/min/mg


J Med Chem 29: 514-9 (1986)

More data for this
Ligand-Target Pair
Acrosin


(Homo sapiens)
BDBM50405348
PNG
(CHEMBL358868)
Show SMILES NC(N)=Nc1ccc(cc1)C(=O)Oc1ccc(Br)cc1
Show InChI InChI=1S/C14H12BrN3O2/c15-10-3-7-12(8-4-10)20-13(19)9-1-5-11(6-2-9)18-14(16)17/h1-8H,(H4,16,17,18)
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n/an/a 3.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human acrosin and control activity being 11.3 umol/min/mg


J Med Chem 29: 514-9 (1986)

More data for this
Ligand-Target Pair
Acrosin


(Homo sapiens)
BDBM50405337
PNG
(CHEMBL542258)
Show SMILES COC(=O)c1cccc(OC(=O)c2ccc(cc2)N=C(N)N)c1
Show InChI InChI=1S/C16H15N3O4/c1-22-14(20)11-3-2-4-13(9-11)23-15(21)10-5-7-12(8-6-10)19-16(17)18/h2-9H,1H3,(H4,17,18,19)
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n/an/a 5.40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human acrosin and control activity being 11.3 umol/min/mg


J Med Chem 29: 514-9 (1986)

More data for this
Ligand-Target Pair
Acrosin


(Homo sapiens)
BDBM50405352
PNG
(CHEMBL149324)
Show SMILES NC(N)=Nc1ccc(cc1)C(=O)Oc1ccccc1
Show InChI InChI=1S/C14H13N3O2/c15-14(16)17-11-8-6-10(7-9-11)13(18)19-12-4-2-1-3-5-12/h1-9H,(H4,15,16,17)
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n/an/a 5.60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human acrosin and control activity being 11.3 umol/min/mg


J Med Chem 29: 514-9 (1986)

More data for this
Ligand-Target Pair
Acrosin


(Homo sapiens)
BDBM50405342
PNG
(CHEMBL149135)
Show SMILES CC(C)c1ccc(OC(=O)c2ccc(cc2)N=C(N)N)cc1
Show InChI InChI=1S/C17H19N3O2/c1-11(2)12-5-9-15(10-6-12)22-16(21)13-3-7-14(8-4-13)20-17(18)19/h3-11H,1-2H3,(H4,18,19,20)
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n/an/a 6.60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human acrosin and control activity being 11.3 umol/min/mg


J Med Chem 29: 514-9 (1986)

More data for this
Ligand-Target Pair
Acrosin


(Homo sapiens)
BDBM50405351
PNG
(CHEMBL542261)
Show SMILES NC(N)=Nc1ccc(cc1)C(=O)Oc1cccc(c1)C#N
Show InChI InChI=1S/C15H12N4O2/c16-9-10-2-1-3-13(8-10)21-14(20)11-4-6-12(7-5-11)19-15(17)18/h1-8H,(H4,17,18,19)
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n/an/a 7.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human acrosin and control activity being 11.3 umol/min/mg


J Med Chem 29: 514-9 (1986)

More data for this
Ligand-Target Pair
Acrosin


(Homo sapiens)
BDBM50405347
PNG
(CHEMBL539058)
Show SMILES CC(=O)Nc1ccc(OC(=O)c2ccc(cc2)N=C(N)N)cc1
Show InChI InChI=1S/C16H16N4O3/c1-10(21)19-12-6-8-14(9-7-12)23-15(22)11-2-4-13(5-3-11)20-16(17)18/h2-9H,1H3,(H,19,21)(H4,17,18,20)
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n/an/a 8n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human acrosin and control activity being 11.3 umol/min/mg


J Med Chem 29: 514-9 (1986)

More data for this
Ligand-Target Pair
Acrosin


(Homo sapiens)
BDBM50405329
PNG
(CHEMBL540096)
Show SMILES CCOC(=O)c1ccc(OC(=O)c2ccc(cc2)N=C(N)N)cc1
Show InChI InChI=1S/C17H17N3O4/c1-2-23-15(21)11-5-9-14(10-6-11)24-16(22)12-3-7-13(8-4-12)20-17(18)19/h3-10H,2H2,1H3,(H4,18,19,20)
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n/an/a 9.30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human acrosin and control activity being 11.3 umol/min/mg


J Med Chem 29: 514-9 (1986)

More data for this
Ligand-Target Pair
Acrosin


(Homo sapiens)
BDBM50405336
PNG
(CHEMBL147344)
Show SMILES CCCCOc1ccc(OC(=O)c2ccc(cc2)N=C(N)N)cc1
Show InChI InChI=1S/C18H21N3O3/c1-2-3-12-23-15-8-10-16(11-9-15)24-17(22)13-4-6-14(7-5-13)21-18(19)20/h4-11H,2-3,12H2,1H3,(H4,19,20,21)
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n/an/a 11.4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human acrosin and control activity being 11.3 umol/min/mg


J Med Chem 29: 514-9 (1986)

More data for this
Ligand-Target Pair
Acrosin


(Homo sapiens)
BDBM50405333
PNG
(CHEMBL148957)
Show SMILES COC(=O)c1ccccc1OC(=O)c1ccc(cc1)N=C(N)N
Show InChI InChI=1S/C16H15N3O4/c1-22-15(21)12-4-2-3-5-13(12)23-14(20)10-6-8-11(9-7-10)19-16(17)18/h2-9H,1H3,(H4,17,18,19)
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n/an/a 12.9n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human acrosin and control activity being 11.3 umol/min/mg


J Med Chem 29: 514-9 (1986)

More data for this
Ligand-Target Pair
Acrosin


(Homo sapiens)
BDBM50405345
PNG
(CHEMBL149157)
Show SMILES COc1cc(CC=C)ccc1OC(=O)c1ccc(cc1)N=C(N)N
Show InChI InChI=1S/C18H19N3O3/c1-3-4-12-5-10-15(16(11-12)23-2)24-17(22)13-6-8-14(9-7-13)21-18(19)20/h3,5-11H,1,4H2,2H3,(H4,19,20,21)
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n/an/a 13.7n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human acrosin and control activity being 11.3 umol/min/mg


J Med Chem 29: 514-9 (1986)

More data for this
Ligand-Target Pair
Acrosin


(Homo sapiens)
BDBM50405341
PNG
(CHEMBL148731)
Show SMILES COc1ccc(OC(=O)c2ccc(cc2)N=C(N)N)cc1
Show InChI InChI=1S/C15H15N3O3/c1-20-12-6-8-13(9-7-12)21-14(19)10-2-4-11(5-3-10)18-15(16)17/h2-9H,1H3,(H4,16,17,18)
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n/an/a 16.3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human acrosin and control activity being 11.3 umol/min/mg


J Med Chem 29: 514-9 (1986)

More data for this
Ligand-Target Pair
Acrosin


(Homo sapiens)
BDBM50405332
PNG
(CHEMBL357708)
Show SMILES COc1cccc(OC(=O)c2ccc(cc2)N=C(N)N)c1
Show InChI InChI=1S/C15H15N3O3/c1-20-12-3-2-4-13(9-12)21-14(19)10-5-7-11(8-6-10)18-15(16)17/h2-9H,1H3,(H4,16,17,18)
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n/an/a 17.6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human acrosin and control activity being 11.3 umol/min/mg


J Med Chem 29: 514-9 (1986)

More data for this
Ligand-Target Pair
Acrosin


(Homo sapiens)
BDBM50405334
PNG
(CHEMBL543454)
Show SMILES NC(N)=Nc1ccc(cc1)C(=O)Oc1cccc2cccnc12
Show InChI InChI=1S/C17H14N4O2/c18-17(19)21-13-8-6-12(7-9-13)16(22)23-14-5-1-3-11-4-2-10-20-15(11)14/h1-10H,(H4,18,19,21)
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n/an/a 19.8n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human acrosin and control activity being 11.3 umol/min/mg


J Med Chem 29: 514-9 (1986)

More data for this
Ligand-Target Pair
Acrosin


(Homo sapiens)
BDBM50405349
PNG
(CHEMBL148833)
Show SMILES COc1ccccc1OC(=O)c1ccc(cc1)N=C(N)N
Show InChI InChI=1S/C15H15N3O3/c1-20-12-4-2-3-5-13(12)21-14(19)10-6-8-11(9-7-10)18-15(16)17/h2-9H,1H3,(H4,16,17,18)
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n/an/a 27.3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human acrosin and control activity being 11.3 umol/min/mg


J Med Chem 29: 514-9 (1986)

More data for this
Ligand-Target Pair
Acrosin


(Homo sapiens)
BDBM50405340
PNG
(CHEMBL146905)
Show SMILES CC(C)(C)c1ccc(OC(=O)c2ccc(cc2)N=C(N)N)cc1
Show InChI InChI=1S/C18H21N3O2/c1-18(2,3)13-6-10-15(11-7-13)23-16(22)12-4-8-14(9-5-12)21-17(19)20/h4-11H,1-3H3,(H4,19,20,21)
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n/an/a 28.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human acrosin and control activity being 11.3 umol/min/mg


J Med Chem 29: 514-9 (1986)

More data for this
Ligand-Target Pair
Acrosin


(Homo sapiens)
BDBM50405331
PNG
(CHEMBL356950)
Show SMILES NC(N)=Nc1ccc(cc1)C(=O)Oc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C15H12F3N3O2/c16-15(17,18)10-3-7-12(8-4-10)23-13(22)9-1-5-11(6-2-9)21-14(19)20/h1-8H,(H4,19,20,21)
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n/an/a 33n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human acrosin and control activity being 11.3 umol/min/mg


J Med Chem 29: 514-9 (1986)

More data for this
Ligand-Target Pair
Acrosin


(Homo sapiens)
BDBM50405338
PNG
(CHEMBL150009)
Show SMILES NC(N)=Nc1ccc(cc1)C(=O)Oc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C15H12F3N3O2/c16-15(17,18)10-2-1-3-12(8-10)23-13(22)9-4-6-11(7-5-9)21-14(19)20/h1-8H,(H4,19,20,21)
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n/an/a 38.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human acrosin and control activity being 11.3 umol/min/mg


J Med Chem 29: 514-9 (1986)

More data for this
Ligand-Target Pair
Acrosin


(Homo sapiens)
BDBM50405346
PNG
(CHEMBL440176)
Show SMILES CCCCCCc1ccc(OC(=O)c2ccc(cc2)N=C(N)N)cc1O
Show InChI InChI=1S/C20H25N3O3/c1-2-3-4-5-6-14-9-12-17(13-18(14)24)26-19(25)15-7-10-16(11-8-15)23-20(21)22/h7-13,24H,2-6H2,1H3,(H4,21,22,23)
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n/an/a 99.7n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human acrosin and control activity being 11.3 umol/min/mg


J Med Chem 29: 514-9 (1986)

More data for this
Ligand-Target Pair
Acrosin


(Homo sapiens)
BDBM50405343
PNG
(CHEMBL545564)
Show SMILES NC(N)=Nc1ccc(cc1)C(=O)Oc1ccccc1C(N)=O
Show InChI InChI=1S/C15H14N4O3/c16-13(20)11-3-1-2-4-12(11)22-14(21)9-5-7-10(8-6-9)19-15(17)18/h1-8H,(H2,16,20)(H4,17,18,19)
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n/an/a 300n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human acrosin and control activity being 11.3 umol/min/mg


J Med Chem 29: 514-9 (1986)

More data for this
Ligand-Target Pair
Acrosin


(Homo sapiens)
BDBM50405339
PNG
(CHEMBL149156)
Show SMILES CC(C)c1ccc(C)cc1OC(=O)c1ccc(cc1)N=C(N)N
Show InChI InChI=1S/C18H21N3O2/c1-11(2)15-9-4-12(3)10-16(15)23-17(22)13-5-7-14(8-6-13)21-18(19)20/h4-11H,1-3H3,(H4,19,20,21)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human acrosin and control activity being 11.3 umol/min/mg


J Med Chem 29: 514-9 (1986)

More data for this
Ligand-Target Pair
Acrosin


(Homo sapiens)
BDBM50018974
PNG
(CHEMBL3287446)
Show SMILES Cl.COc1ccc(NC(=O)c2cc(on2)-c2ccc(NC(N)=N)cc2)c(OC)c1
Show InChI InChI=1S/C19H19N5O4.ClH/c1-26-13-7-8-14(17(9-13)27-2)23-18(25)15-10-16(28-24-15)11-3-5-12(6-4-11)22-19(20)21;/h3-10H,1-2H3,(H,23,25)(H4,20,21,22);1H
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Article
PubMed
n/an/a 1.40E+3n/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


Citation and Details
More data for this
Ligand-Target Pair
Acrosin


(Homo sapiens)
BDBM50018973
PNG
(CHEMBL3287445)
Show SMILES Cl.COc1ccc(OC)c(NC(=O)c2cc(on2)-c2ccc(NC(N)=N)cc2)c1
Show InChI InChI=1S/C19H19N5O4.ClH/c1-26-13-7-8-16(27-2)14(9-13)23-18(25)15-10-17(28-24-15)11-3-5-12(6-4-11)22-19(20)21;/h3-10H,1-2H3,(H,23,25)(H4,20,21,22);1H
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n/an/a 2.30E+3n/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


Citation and Details
More data for this
Ligand-Target Pair
Acrosin


(Homo sapiens)
BDBM50018978
PNG
(CHEMBL3287450)
Show SMILES Cl.Cc1cccc(C)c1NC(=O)c1cc(on1)-c1ccc(NC(N)=N)cc1
Show InChI InChI=1S/C19H19N5O2.ClH/c1-11-4-3-5-12(2)17(11)23-18(25)15-10-16(26-24-15)13-6-8-14(9-7-13)22-19(20)21;/h3-10H,1-2H3,(H,23,25)(H4,20,21,22);1H
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n/an/a 5.70E+3n/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


Citation and Details
More data for this
Ligand-Target Pair
Acrosin


(Homo sapiens)
BDBM50018983
PNG
(CHEMBL3287455)
Show SMILES Cl.CCOc1ccc(NC(=O)c2cc(on2)-c2ccc(NC(N)=N)cc2)cc1
Show InChI InChI=1S/C19H19N5O3.ClH/c1-2-26-15-9-7-13(8-10-15)22-18(25)16-11-17(27-24-16)12-3-5-14(6-4-12)23-19(20)21;/h3-11H,2H2,1H3,(H,22,25)(H4,20,21,23);1H
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n/an/a 6.40E+3n/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


Citation and Details
More data for this
Ligand-Target Pair
Acrosin


(Homo sapiens)
BDBM50018988
PNG
(CHEMBL3287459)
Show SMILES Cl.COc1cccc(NC(=O)c2cc(on2)-c2ccc(NC(N)=N)cc2)c1
Show InChI InChI=1S/C18H17N5O3.ClH/c1-25-14-4-2-3-13(9-14)21-17(24)15-10-16(26-23-15)11-5-7-12(8-6-11)22-18(19)20;/h2-10H,1H3,(H,21,24)(H4,19,20,22);1H
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n/an/a 6.60E+3n/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


Citation and Details
More data for this
Ligand-Target Pair
Acrosin


(Homo sapiens)
BDBM50018976
PNG
(CHEMBL3287448)
Show SMILES Cl.CC(C)(C)c1ccc(NC(=O)c2cc(on2)-c2ccc(NC(N)=N)cc2)cc1
Show InChI InChI=1S/C21H23N5O2.ClH/c1-21(2,3)14-6-10-15(11-7-14)24-19(27)17-12-18(28-26-17)13-4-8-16(9-5-13)25-20(22)23;/h4-12H,1-3H3,(H,24,27)(H4,22,23,25);1H
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n/an/a 7.80E+3n/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


Citation and Details
More data for this
Ligand-Target Pair
Acrosin


(Homo sapiens)
BDBM50018987
PNG
(CHEMBL3287458)
Show SMILES Cl.COc1ccccc1NC(=O)c1cc(on1)-c1ccc(NC(N)=N)cc1
Show InChI InChI=1S/C18H17N5O3.ClH/c1-25-15-5-3-2-4-13(15)22-17(24)14-10-16(26-23-14)11-6-8-12(9-7-11)21-18(19)20;/h2-10H,1H3,(H,22,24)(H4,19,20,21);1H
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n/an/a 8.40E+3n/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


Citation and Details
More data for this
Ligand-Target Pair
Acrosin


(Homo sapiens)
BDBM50018975
PNG
(CHEMBL3287447)
Show SMILES Cl.CCOC(=O)c1ccc(NC(=O)c2cc(on2)-c2ccc(NC(N)=N)cc2)cc1
Show InChI InChI=1S/C20H19N5O4.ClH/c1-2-28-19(27)13-5-9-14(10-6-13)23-18(26)16-11-17(29-25-16)12-3-7-15(8-4-12)24-20(21)22;/h3-11H,2H2,1H3,(H,23,26)(H4,21,22,24);1H
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n/an/a 9.30E+3n/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


Citation and Details
More data for this
Ligand-Target Pair
Acrosin


(Homo sapiens)
BDBM50018992
PNG
(CHEMBL3287462)
Show SMILES Cl.Cc1cccc(NC(=O)c2cc(on2)-c2ccc(NC(N)=N)cc2)c1
Show InChI InChI=1S/C18H17N5O2.ClH/c1-11-3-2-4-14(9-11)21-17(24)15-10-16(25-23-15)12-5-7-13(8-6-12)22-18(19)20;/h2-10H,1H3,(H,21,24)(H4,19,20,22);1H
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n/an/a 9.40E+3n/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


Citation and Details
More data for this
Ligand-Target Pair
Acrosin


(Homo sapiens)
BDBM50436621
PNG
(CHEMBL2397955)
Show SMILES CC(O)CN(CC(C)O)C(=O)c1cc(n[nH]1)-c1ccccc1
Show InChI InChI=1S/C16H21N3O3/c1-11(20)9-19(10-12(2)21)16(22)15-8-14(17-18-15)13-6-4-3-5-7-13/h3-8,11-12,20-21H,9-10H2,1-2H3,(H,17,18)
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n/an/a 1.00E+4n/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


Citation and Details
More data for this
Ligand-Target Pair
Acrosin


(Homo sapiens)
BDBM50018977
PNG
(CHEMBL3287449)
Show SMILES Cl.Cc1ccc(NC(=O)c2cc(on2)-c2ccc(NC(N)=N)cc2)cc1
Show InChI InChI=1S/C18H17N5O2.ClH/c1-11-2-6-13(7-3-11)21-17(24)15-10-16(25-23-15)12-4-8-14(9-5-12)22-18(19)20;/h2-10H,1H3,(H,21,24)(H4,19,20,22);1H
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n/an/a 1.01E+4n/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


Citation and Details
More data for this
Ligand-Target Pair
Acrosin


(Homo sapiens)
BDBM50018994
PNG
(CHEMBL3287464)
Show SMILES Cl.Cc1cccc(NC(=O)c2cc(on2)-c2ccc(NC(N)=N)cc2)c1C
Show InChI InChI=1S/C19H19N5O2.ClH/c1-11-4-3-5-15(12(11)2)23-18(25)16-10-17(26-24-16)13-6-8-14(9-7-13)22-19(20)21;/h3-10H,1-2H3,(H,23,25)(H4,20,21,22);1H
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n/an/a 1.15E+4n/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


Citation and Details
More data for this
Ligand-Target Pair
Acrosin


(Homo sapiens)
BDBM50018980
PNG
(CHEMBL3287452)
Show SMILES Cl.Cc1cc(C)cc(NC(=O)c2cc(on2)-c2ccc(NC(N)=N)cc2)c1
Show InChI InChI=1S/C19H19N5O2.ClH/c1-11-7-12(2)9-15(8-11)22-18(25)16-10-17(26-24-16)13-3-5-14(6-4-13)23-19(20)21;/h3-10H,1-2H3,(H,22,25)(H4,20,21,23);1H
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n/an/a 1.21E+4n/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


Citation and Details
More data for this
Ligand-Target Pair
Acrosin


(Homo sapiens)
BDBM50018982
PNG
(CHEMBL3287454)
Show SMILES Cl.Cc1ccccc1NC(=O)c1cc(on1)-c1ccc(NC(N)=N)cc1
Show InChI InChI=1S/C18H17N5O2.ClH/c1-11-4-2-3-5-14(11)22-17(24)15-10-16(25-23-15)12-6-8-13(9-7-12)21-18(19)20;/h2-10H,1H3,(H,22,24)(H4,19,20,21);1H
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n/an/a 1.44E+4n/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


Citation and Details
More data for this
Ligand-Target Pair
Acrosin


(Homo sapiens)
BDBM50018981
PNG
(CHEMBL3287453)
Show SMILES Cl.NC(=N)Nc1ccc(cc1)-c1cc(no1)C(=O)Nc1cccc(Br)c1
Show InChI InChI=1S/C17H14BrN5O2.ClH/c18-11-2-1-3-13(8-11)21-16(24)14-9-15(25-23-14)10-4-6-12(7-5-10)22-17(19)20;/h1-9H,(H,21,24)(H4,19,20,22);1H
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n/an/a 1.44E+4n/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


Citation and Details
More data for this
Ligand-Target Pair
Acrosin


(Homo sapiens)
BDBM50018984
PNG
(CHEMBL3287456)
Show SMILES Cl.NC(=N)Nc1ccc(cc1)-c1cc(no1)C(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C18H14F3N5O2.ClH/c19-18(20,21)11-3-7-12(8-4-11)24-16(27)14-9-15(28-26-14)10-1-5-13(6-2-10)25-17(22)23;/h1-9H,(H,24,27)(H4,22,23,25);1H
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n/an/a 2.03E+4n/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


Citation and Details
More data for this
Ligand-Target Pair
Acrosin


(Homo sapiens)
BDBM50018995
PNG
(CHEMBL3287465)
Show SMILES Cl.NC(=N)Nc1ccc(cc1)-c1cc(no1)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C17H14FN5O2.ClH/c18-11-3-7-12(8-4-11)21-16(24)14-9-15(25-23-14)10-1-5-13(6-2-10)22-17(19)20;/h1-9H,(H,21,24)(H4,19,20,22);1H
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n/an/a 2.05E+4n/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


Citation and Details
More data for this
Ligand-Target Pair
Acrosin


(Homo sapiens)
BDBM50018972
PNG
(CHEMBL3287444)
Show SMILES Cl.Cc1ccnc(NC(=O)c2cc(on2)-c2ccc(NC(N)=N)cc2)c1
Show InChI InChI=1S/C17H16N6O2.ClH/c1-10-6-7-20-15(8-10)22-16(24)13-9-14(25-23-13)11-2-4-12(5-3-11)21-17(18)19;/h2-9H,1H3,(H4,18,19,21)(H,20,22,24);1H
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n/an/a 2.14E+4n/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


Citation and Details
More data for this
Ligand-Target Pair
Acrosin


(Homo sapiens)
BDBM50018993
PNG
(CHEMBL3287463)
Show SMILES Cl.NC(=N)Nc1ccc(cc1)-c1cc(no1)C(=O)Nc1ccc(cc1)C#N
Show InChI InChI=1S/C18H14N6O2.ClH/c19-10-11-1-5-13(6-2-11)22-17(25)15-9-16(26-24-15)12-3-7-14(8-4-12)23-18(20)21;/h1-9H,(H,22,25)(H4,20,21,23);1H
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n/an/a 2.39E+4n/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


Citation and Details
More data for this
Ligand-Target Pair
Acrosin


(Homo sapiens)
BDBM50018971
PNG
(CHEMBL3287443)
Show SMILES Cl.NC(=N)Nc1ccc(cc1)-c1cc(no1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C17H15N5O2.ClH/c18-17(19)21-13-8-6-11(7-9-13)15-10-14(22-24-15)16(23)20-12-4-2-1-3-5-12;/h1-10H,(H,20,23)(H4,18,19,21);1H
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n/an/a 2.46E+4n/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


Citation and Details
More data for this
Ligand-Target Pair
Acrosin


(Homo sapiens)
BDBM50018979
PNG
(CHEMBL3287451)
Show SMILES Cl.NC(=N)Nc1ccc(cc1)-c1cc(no1)C(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C17H14ClN5O2.ClH/c18-11-2-1-3-13(8-11)21-16(24)14-9-15(25-23-14)10-4-6-12(7-5-10)22-17(19)20;/h1-9H,(H,21,24)(H4,19,20,22);1H
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n/an/a 2.54E+4n/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


Citation and Details
More data for this
Ligand-Target Pair
Acrosin


(Homo sapiens)
BDBM50018986
PNG
(CHEMBL3287457)
Show SMILES Cl.NC(=N)Nc1ccc(cc1)-c1cc(no1)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C17H14ClN5O2.ClH/c18-11-3-7-12(8-4-11)21-16(24)14-9-15(25-23-14)10-1-5-13(6-2-10)22-17(19)20;/h1-9H,(H,21,24)(H4,19,20,22);1H
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n/an/a 2.68E+4n/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


Citation and Details
More data for this
Ligand-Target Pair
Acrosin


(Homo sapiens)
BDBM50356332
PNG
(CHEMBL1911252 | CHEMBL554140)
Show SMILES COC(=O)c1ccc(OC(=O)c2ccc(cc2)N=C(N)N)cc1
Show InChI InChI=1S/C16H15N3O4/c1-22-14(20)10-4-8-13(9-5-10)23-15(21)11-2-6-12(7-3-11)19-16(17)18/h2-9H,1H3,(H4,17,18,19)
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n/an/a 2.70E+4n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of acrosin activity in human spermatozoa using N-alpha-benzoyl-DL-arginine para-nitroanilide-HCI as a substrate after 3 hrs by spectrophot...


Citation and Details
More data for this
Ligand-Target Pair
Acrosin


(Homo sapiens)
BDBM50018989
PNG
(CHEMBL3287460)
Show SMILES Cl.NC(=N)Nc1ccc(cc1)-c1cc(no1)C(=O)Nc1ccccc1Br
Show InChI InChI=1S/C17H14BrN5O2.ClH/c18-12-3-1-2-4-13(12)22-16(24)14-9-15(25-23-14)10-5-7-11(8-6-10)21-17(19)20;/h1-9H,(H,22,24)(H4,19,20,21);1H
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n/an/a 2.79E+4n/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


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Ligand-Target Pair
Acrosin


(Homo sapiens)
BDBM50018990
PNG
(CHEMBL3287461)
Show SMILES Cl.NC(=N)Nc1ccc(cc1)-c1cc(no1)C(=O)Nc1cccc2ccccc12
Show InChI InChI=1S/C21H17N5O2.ClH/c22-21(23)24-15-10-8-14(9-11-15)19-12-18(26-28-19)20(27)25-17-7-3-5-13-4-1-2-6-16(13)17;/h1-12H,(H,25,27)(H4,22,23,24);1H
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n/an/a 2.99E+4n/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


Citation and Details
More data for this
Ligand-Target Pair
Acrosin


(Homo sapiens)
BDBM50354885
PNG
(CHEMBL1834511)
Show SMILES CCOC(=O)c1cc(n[nH]1)-c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C19H19N3O4S/c1-3-26-19(23)18-12-17(20-21-18)14-6-8-15(9-7-14)22-27(24,25)16-10-4-13(2)5-11-16/h4-12,22H,3H2,1-2H3,(H,20,21)
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n/an/a 3.20E+4n/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


Citation and Details
More data for this
Ligand-Target Pair
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