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Compile Data Set for Download or QSAR

Found 48 hits with Last Name = 'anderson' and Initial = 'ra'   
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)
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)


Article DOI: 10.1021/jm00154a015
BindingDB Entry DOI: 10.7270/Q20C4WZ7
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)


Article DOI: 10.1021/jm00154a015
BindingDB Entry DOI: 10.7270/Q20C4WZ7
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
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 1.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human trypsin and the control activity being 7.3 umol/min/mg


J Med Chem 29: 514-9 (1986)


Article DOI: 10.1021/jm00154a015
BindingDB Entry DOI: 10.7270/Q20C4WZ7
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
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 1.60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human trypsin and the control activity being 7.3 umol/min/mg


J Med Chem 29: 514-9 (1986)


Article DOI: 10.1021/jm00154a015
BindingDB Entry DOI: 10.7270/Q20C4WZ7
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
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 1.60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human trypsin and the control activity being 7.3 umol/min/mg


J Med Chem 29: 514-9 (1986)


Article DOI: 10.1021/jm00154a015
BindingDB Entry DOI: 10.7270/Q20C4WZ7
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)


Article DOI: 10.1021/jm00154a015
BindingDB Entry DOI: 10.7270/Q20C4WZ7
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)


Article DOI: 10.1021/jm00154a015
BindingDB Entry DOI: 10.7270/Q20C4WZ7
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)


Article DOI: 10.1021/jm00154a015
BindingDB Entry DOI: 10.7270/Q20C4WZ7
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
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 3.80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human trypsin and the control activity being 7.3 umol/min/mg


J Med Chem 29: 514-9 (1986)


Article DOI: 10.1021/jm00154a015
BindingDB Entry DOI: 10.7270/Q20C4WZ7
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
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 3.90n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human trypsin and the control activity being 7.3 umol/min/mg


J Med Chem 29: 514-9 (1986)


Article DOI: 10.1021/jm00154a015
BindingDB Entry DOI: 10.7270/Q20C4WZ7
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)


Article DOI: 10.1021/jm00154a015
BindingDB Entry DOI: 10.7270/Q20C4WZ7
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)


Article DOI: 10.1021/jm00154a015
BindingDB Entry DOI: 10.7270/Q20C4WZ7
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)


Article DOI: 10.1021/jm00154a015
BindingDB Entry DOI: 10.7270/Q20C4WZ7
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)


Article DOI: 10.1021/jm00154a015
BindingDB Entry DOI: 10.7270/Q20C4WZ7
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)


Article DOI: 10.1021/jm00154a015
BindingDB Entry DOI: 10.7270/Q20C4WZ7
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
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 8.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human trypsin and the control activity being 7.3 umol/min/mg


J Med Chem 29: 514-9 (1986)


Article DOI: 10.1021/jm00154a015
BindingDB Entry DOI: 10.7270/Q20C4WZ7
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
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 8.40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human trypsin and the control activity being 7.3 umol/min/mg


J Med Chem 29: 514-9 (1986)


Article DOI: 10.1021/jm00154a015
BindingDB Entry DOI: 10.7270/Q20C4WZ7
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)


Article DOI: 10.1021/jm00154a015
BindingDB Entry DOI: 10.7270/Q20C4WZ7
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)


Article DOI: 10.1021/jm00154a015
BindingDB Entry DOI: 10.7270/Q20C4WZ7
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)


Article DOI: 10.1021/jm00154a015
BindingDB Entry DOI: 10.7270/Q20C4WZ7
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)


Article DOI: 10.1021/jm00154a015
BindingDB Entry DOI: 10.7270/Q20C4WZ7
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)


Article DOI: 10.1021/jm00154a015
BindingDB Entry DOI: 10.7270/Q20C4WZ7
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
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 16.4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human trypsin and the control activity being 7.3 umol/min/mg


J Med Chem 29: 514-9 (1986)


Article DOI: 10.1021/jm00154a015
BindingDB Entry DOI: 10.7270/Q20C4WZ7
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
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 16.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human trypsin and the control activity being 7.3 umol/min/mg


J Med Chem 29: 514-9 (1986)


Article DOI: 10.1021/jm00154a015
BindingDB Entry DOI: 10.7270/Q20C4WZ7
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
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 17.1n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human trypsin and the control activity being 7.3 umol/min/mg


J Med Chem 29: 514-9 (1986)


Article DOI: 10.1021/jm00154a015
BindingDB Entry DOI: 10.7270/Q20C4WZ7
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
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 17.2n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human trypsin and the control activity being 7.3 umol/min/mg


J Med Chem 29: 514-9 (1986)


Article DOI: 10.1021/jm00154a015
BindingDB Entry DOI: 10.7270/Q20C4WZ7
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)


Article DOI: 10.1021/jm00154a015
BindingDB Entry DOI: 10.7270/Q20C4WZ7
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
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 18.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human trypsin and the control activity being 7.3 umol/min/mg


J Med Chem 29: 514-9 (1986)


Article DOI: 10.1021/jm00154a015
BindingDB Entry DOI: 10.7270/Q20C4WZ7
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
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 19n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human trypsin and the control activity being 7.3 umol/min/mg


J Med Chem 29: 514-9 (1986)


Article DOI: 10.1021/jm00154a015
BindingDB Entry DOI: 10.7270/Q20C4WZ7
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
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 19.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human trypsin and the control activity being 7.3 umol/min/mg


J Med Chem 29: 514-9 (1986)


Article DOI: 10.1021/jm00154a015
BindingDB Entry DOI: 10.7270/Q20C4WZ7
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)


Article DOI: 10.1021/jm00154a015
BindingDB Entry DOI: 10.7270/Q20C4WZ7
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
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 22.3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human trypsin and the control activity being 7.3 umol/min/mg


J Med Chem 29: 514-9 (1986)


Article DOI: 10.1021/jm00154a015
BindingDB Entry DOI: 10.7270/Q20C4WZ7
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
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 23.4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human trypsin and the control activity being 7.3 umol/min/mg


J Med Chem 29: 514-9 (1986)


Article DOI: 10.1021/jm00154a015
BindingDB Entry DOI: 10.7270/Q20C4WZ7
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
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 23.7n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human trypsin and the control activity being 7.3 umol/min/mg


J Med Chem 29: 514-9 (1986)


Article DOI: 10.1021/jm00154a015
BindingDB Entry DOI: 10.7270/Q20C4WZ7
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
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 27.1n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human trypsin and the control activity being 7.3 umol/min/mg


J Med Chem 29: 514-9 (1986)


Article DOI: 10.1021/jm00154a015
BindingDB Entry DOI: 10.7270/Q20C4WZ7
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)


Article DOI: 10.1021/jm00154a015
BindingDB Entry DOI: 10.7270/Q20C4WZ7
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
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 27.7n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human trypsin and the control activity being 7.3 umol/min/mg


J Med Chem 29: 514-9 (1986)


Article DOI: 10.1021/jm00154a015
BindingDB Entry DOI: 10.7270/Q20C4WZ7
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)


Article DOI: 10.1021/jm00154a015
BindingDB Entry DOI: 10.7270/Q20C4WZ7
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)


Article DOI: 10.1021/jm00154a015
BindingDB Entry DOI: 10.7270/Q20C4WZ7
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)


Article DOI: 10.1021/jm00154a015
BindingDB Entry DOI: 10.7270/Q20C4WZ7
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
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 65n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human trypsin and the control activity being 7.3 umol/min/mg


J Med Chem 29: 514-9 (1986)


Article DOI: 10.1021/jm00154a015
BindingDB Entry DOI: 10.7270/Q20C4WZ7
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
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 87.6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human trypsin and the control activity being 7.3 umol/min/mg


J Med Chem 29: 514-9 (1986)


Article DOI: 10.1021/jm00154a015
BindingDB Entry DOI: 10.7270/Q20C4WZ7
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
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 92.2n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human trypsin and the control activity being 7.3 umol/min/mg


J Med Chem 29: 514-9 (1986)


Article DOI: 10.1021/jm00154a015
BindingDB Entry DOI: 10.7270/Q20C4WZ7
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)


Article DOI: 10.1021/jm00154a015
BindingDB Entry DOI: 10.7270/Q20C4WZ7
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)


Article DOI: 10.1021/jm00154a015
BindingDB Entry DOI: 10.7270/Q20C4WZ7
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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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)


Article DOI: 10.1021/jm00154a015
BindingDB Entry DOI: 10.7270/Q20C4WZ7
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
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)
PDB
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Similars

Article
PubMed
n/an/a 300n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human trypsin and the control activity being 7.3 umol/min/mg


J Med Chem 29: 514-9 (1986)


Article DOI: 10.1021/jm00154a015
BindingDB Entry DOI: 10.7270/Q20C4WZ7
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
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)
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
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n/an/a 500n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human trypsin and the control activity being 7.3 umol/min/mg


J Med Chem 29: 514-9 (1986)


Article DOI: 10.1021/jm00154a015
BindingDB Entry DOI: 10.7270/Q20C4WZ7
More data for this
Ligand-Target Pair