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8 similar compounds to monomer 50016523

Compile data set for download or QSAR
Wt: 226.2
BDBM50010079
Purchase
Wt: 410.8
BDBM50016525
Wt: 268.3
BDBM50010083
Wt: 251.2
BDBM50010086
Wt: 522.5
BDBM50010129
Wt: 256.2
BDBM50010084
Wt: 268.3
BDBM50010105
Purchase
Wt: 460.9
BDBM50016537

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50010079,50016525,50010083,50010086,50010129,50010084,50010105,50016537   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Acrosin


(Sus scrofa)
BDBM50010105
PNG
(CHEMBL2418051)
Show SMILES NC(=N)c1ccc(COc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C15H16N4O/c16-14(17)11-3-1-10(2-4-11)9-20-13-7-5-12(6-8-13)15(18)19/h1-8H,9H2,(H3,16,17)(H3,18,19)
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Article
PubMed
480n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible competitive inhibition of boar spermatozoa acrosin using BzArgOEt as substrate by Dixon plot analysis


J Med Chem 21: 1132-6 (1979)


Article DOI: 10.1021/jm00209a008
BindingDB Entry DOI: 10.7270/Q2TT4SGN
More data for this
Ligand-Target Pair
Acrosin


(Sus scrofa)
BDBM50010083
PNG
(CHEMBL2418046)
Show SMILES CC(C)c1ccc(OCc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C17H20N2O/c1-12(2)14-7-9-16(10-8-14)20-11-13-3-5-15(6-4-13)17(18)19/h3-10,12H,11H2,1-2H3,(H3,18,19)
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1.10E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible competitive inhibition of boar spermatozoa acrosin using BzArgOEt as substrate by Dixon plot analysis


J Med Chem 21: 1132-6 (1979)


Article DOI: 10.1021/jm00209a008
BindingDB Entry DOI: 10.7270/Q2TT4SGN
More data for this
Ligand-Target Pair
Acrosin


(Sus scrofa)
BDBM50010129
PNG
(CHEMBL3245417)
Show SMILES NC(=N)c1ccc(OCc2cc(COc3ccc(cc3)C(N)=N)cc(COc3ccc(cc3)C(N)=N)c2)cc1
Show InChI InChI=1S/C30H30N6O3/c31-28(32)22-1-7-25(8-2-22)37-16-19-13-20(17-38-26-9-3-23(4-10-26)29(33)34)15-21(14-19)18-39-27-11-5-24(6-12-27)30(35)36/h1-15H,16-18H2,(H3,31,32)(H3,33,34)(H3,35,36)
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1.30E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible competitive inhibition of boar spermatozoa acrosin using BzArgOEt as substrate by Dixon plot analysis


J Med Chem 21: 1132-6 (1979)


Article DOI: 10.1021/jm00209a008
BindingDB Entry DOI: 10.7270/Q2TT4SGN
More data for this
Ligand-Target Pair
Acrosin


(Sus scrofa)
BDBM50010084
PNG
(CHEMBL2418047)
Show SMILES COc1ccc(OCc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C15H16N2O2/c1-18-13-6-8-14(9-7-13)19-10-11-2-4-12(5-3-11)15(16)17/h2-9H,10H2,1H3,(H3,16,17)
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1.60E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible competitive inhibition of boar spermatozoa acrosin using BzArgOEt as substrate by Dixon plot analysis


J Med Chem 21: 1132-6 (1979)


Article DOI: 10.1021/jm00209a008
BindingDB Entry DOI: 10.7270/Q2TT4SGN
More data for this
Ligand-Target Pair
Glandular kallikrein


(Sus scrofa)
BDBM50016537
PNG
(CHEMBL3277932)
Show SMILES NC(=N)c1ccc(OCc2ccc(COc3ccc(cc3)C(N)=N)c3ccccc23)cc1
Show InChI InChI=1S/C26H24N4O2.ClH/c27-25(28)17-7-11-21(12-8-17)31-15-19-5-6-20(24-4-2-1-3-23(19)24)16-32-22-13-9-18(10-14-22)26(29)30;/h1-14H,15-16H2,(H3,27,28)(H3,29,30);1H
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2.50E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic kallikrein using BANA as substrate after 15 to 180 mins


J Med Chem 19: 634-9 (1976)


Article DOI: 10.1021/jm00227a011
BindingDB Entry DOI: 10.7270/Q2KD20FM
More data for this
Ligand-Target Pair
Acrosin


(Sus scrofa)
BDBM50010079
PNG
(CHEMBL2418043)
Show SMILES NC(=N)c1ccc(COc2ccccc2)cc1
Show InChI InChI=1S/C14H14N2O/c15-14(16)12-8-6-11(7-9-12)10-17-13-4-2-1-3-5-13/h1-9H,10H2,(H3,15,16)
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PubMed
2.60E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible competitive inhibition of boar spermatozoa acrosin using BzArgOEt as substrate by Dixon plot analysis


J Med Chem 21: 1132-6 (1979)


Article DOI: 10.1021/jm00209a008
BindingDB Entry DOI: 10.7270/Q2TT4SGN
More data for this
Ligand-Target Pair
Acrosin


(Sus scrofa)
BDBM50010086
PNG
(CHEMBL3244440)
Show SMILES NC(=N)c1ccc(COc2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C15H13N3O/c16-9-11-3-7-14(8-4-11)19-10-12-1-5-13(6-2-12)15(17)18/h1-8H,10H2,(H3,17,18)
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3.90E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible competitive inhibition of boar spermatozoa acrosin using BzArgOEt as substrate by Dixon plot analysis


J Med Chem 21: 1132-6 (1979)


Article DOI: 10.1021/jm00209a008
BindingDB Entry DOI: 10.7270/Q2TT4SGN
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50016525
PNG
(CHEMBL3277920)
Show SMILES Cl.NC(=N)c1ccc(OCc2cccc(COc3ccc(cc3)C(N)=N)c2)cc1
Show InChI InChI=1S/C22H22N4O2.ClH/c23-21(24)17-4-8-19(9-5-17)27-13-15-2-1-3-16(12-15)14-28-20-10-6-18(7-11-20)22(25)26;/h1-12H,13-14H2,(H3,23,24)(H3,25,26);1H
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4.80E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of amidase activity of bovine thrombin using BANA as substrate after 15 to 40 mins


J Med Chem 19: 634-9 (1976)


Article DOI: 10.1021/jm00227a011
BindingDB Entry DOI: 10.7270/Q2KD20FM
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50016537
PNG
(CHEMBL3277932)
Show SMILES NC(=N)c1ccc(OCc2ccc(COc3ccc(cc3)C(N)=N)c3ccccc23)cc1
Show InChI InChI=1S/C26H24N4O2.ClH/c27-25(28)17-7-11-21(12-8-17)31-15-19-5-6-20(24-4-2-1-3-23(19)24)16-32-22-13-9-18(10-14-22)26(29)30;/h1-14H,15-16H2,(H3,27,28)(H3,29,30);1H
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PubMed
6.60E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of amidase activity of bovine thrombin using BANA as substrate after 15 to 40 mins


J Med Chem 19: 634-9 (1976)


Article DOI: 10.1021/jm00227a011
BindingDB Entry DOI: 10.7270/Q2KD20FM
More data for this
Ligand-Target Pair
Glandular kallikrein


(Sus scrofa)
BDBM50016525
PNG
(CHEMBL3277920)
Show SMILES Cl.NC(=N)c1ccc(OCc2cccc(COc3ccc(cc3)C(N)=N)c2)cc1
Show InChI InChI=1S/C22H22N4O2.ClH/c23-21(24)17-4-8-19(9-5-17)27-13-15-2-1-3-16(12-15)14-28-20-10-6-18(7-11-20)22(25)26;/h1-12H,13-14H2,(H3,23,24)(H3,25,26);1H
PDB
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Article
PubMed
6.70E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic kallikrein using BANA as substrate after 15 to 180 mins


J Med Chem 19: 634-9 (1976)


Article DOI: 10.1021/jm00227a011
BindingDB Entry DOI: 10.7270/Q2KD20FM
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50016525
PNG
(CHEMBL3277920)
Show SMILES Cl.NC(=N)c1ccc(OCc2cccc(COc3ccc(cc3)C(N)=N)c2)cc1
Show InChI InChI=1S/C22H22N4O2.ClH/c23-21(24)17-4-8-19(9-5-17)27-13-15-2-1-3-16(12-15)14-28-20-10-6-18(7-11-20)22(25)26;/h1-12H,13-14H2,(H3,23,24)(H3,25,26);1H
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n/an/a 2.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human thrombin-mediated blood clotting formation in presence of human fibrinogen


J Med Chem 19: 634-9 (1976)


Article DOI: 10.1021/jm00227a011
BindingDB Entry DOI: 10.7270/Q2KD20FM
More data for this
Ligand-Target Pair