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4 similar compounds to monomer 50016524

Compile data set for download or QSAR
Wt: 410.8
BDBM50016526
Wt: 268.3
BDBM50010104
Purchase
Wt: 522.5
BDBM50010134
Wt: 460.9
BDBM50016533

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50016526,50010104,50010134,50016533   
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)
BDBM50010104
PNG
(CHEMBL2418010)
Show SMILES NC(=N)c1ccc(COc2cccc(c2)C(N)=N)cc1
Show InChI InChI=1S/C15H16N4O/c16-14(17)11-6-4-10(5-7-11)9-20-13-3-1-2-12(8-13)15(18)19/h1-8H,9H2,(H3,16,17)(H3,18,19)
PDB
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KEGG

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PubMed
290n/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)
BDBM50010134
PNG
(CHEMBL3245421)
Show SMILES NC(=N)c1cccc(OCc2cc(COc3cccc(c3)C(N)=N)cc(COc3cccc(c3)C(N)=N)c2)c1
Show InChI InChI=1S/C30H30N6O3/c31-28(32)22-4-1-7-25(13-22)37-16-19-10-20(17-38-26-8-2-5-23(14-26)29(33)34)12-21(11-19)18-39-27-9-3-6-24(15-27)30(35)36/h1-15H,16-18H2,(H3,31,32)(H3,33,34)(H3,35,36)
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560n/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 and coagulation factor X


(Homo sapiens (Human))
BDBM50010134
PNG
(CHEMBL3245421)
Show SMILES NC(=N)c1cccc(OCc2cc(COc3cccc(c3)C(N)=N)cc(COc3cccc(c3)C(N)=N)c2)c1
Show InChI InChI=1S/C30H30N6O3/c31-28(32)22-4-1-7-25(13-22)37-16-19-10-20(17-38-26-8-2-5-23(14-26)29(33)34)12-21(11-19)18-39-27-9-3-6-24(15-27)30(35)36/h1-15H,16-18H2,(H3,31,32)(H3,33,34)(H3,35,36)
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650n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of thrombin (unknown origin)


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)
BDBM50016526
PNG
(CHEMBL3277921)
Show SMILES Cl.NC(=N)c1cccc(OCc2cccc(COc3cccc(c3)C(N)=N)c2)c1
Show InChI InChI=1S/C22H22N4O2.ClH/c23-21(24)17-6-2-8-19(11-17)27-13-15-4-1-5-16(10-15)14-28-20-9-3-7-18(12-20)22(25)26;/h1-12H,13-14H2,(H3,23,24)(H3,25,26);1H
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3.40E+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
Thrombin


(Bos taurus (Bovine))
BDBM50016526
PNG
(CHEMBL3277921)
Show SMILES Cl.NC(=N)c1cccc(OCc2cccc(COc3cccc(c3)C(N)=N)c2)c1
Show InChI InChI=1S/C22H22N4O2.ClH/c23-21(24)17-6-2-8-19(11-17)27-13-15-4-1-5-16(10-15)14-28-20-9-3-7-18(12-20)22(25)26;/h1-12H,13-14H2,(H3,23,24)(H3,25,26);1H
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4.60E+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
Thrombin


(Bos taurus (Bovine))
BDBM50016533
PNG
(CHEMBL3277930)
Show SMILES NC(=N)c1cccc(OCc2ccc3cc(COc4cccc(c4)C(N)=N)ccc3c2)c1
Show InChI InChI=1S/C26H24N4O2.ClH/c27-25(28)21-3-1-5-23(13-21)31-15-17-7-9-20-12-18(8-10-19(20)11-17)16-32-24-6-2-4-22(14-24)26(29)30;/h1-14H,15-16H2,(H3,27,28)(H3,29,30);1H
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5.10E+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)
BDBM50016533
PNG
(CHEMBL3277930)
Show SMILES NC(=N)c1cccc(OCc2ccc3cc(COc4cccc(c4)C(N)=N)ccc3c2)c1
Show InChI InChI=1S/C26H24N4O2.ClH/c27-25(28)21-3-1-5-23(13-21)31-15-17-7-9-20-12-18(8-10-19(20)11-17)16-32-24-6-2-4-22(14-24)26(29)30;/h1-14H,15-16H2,(H3,27,28)(H3,29,30);1H
PDB
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5.50E+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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50016526
PNG
(CHEMBL3277921)
Show SMILES Cl.NC(=N)c1cccc(OCc2cccc(COc3cccc(c3)C(N)=N)c2)c1
Show InChI InChI=1S/C22H22N4O2.ClH/c23-21(24)17-6-2-8-19(11-17)27-13-15-4-1-5-16(10-15)14-28-20-9-3-7-18(12-20)22(25)26;/h1-12H,13-14H2,(H3,23,24)(H3,25,26);1H
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n/an/a 6.50E+3n/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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50016533
PNG
(CHEMBL3277930)
Show SMILES NC(=N)c1cccc(OCc2ccc3cc(COc4cccc(c4)C(N)=N)ccc3c2)c1
Show InChI InChI=1S/C26H24N4O2.ClH/c27-25(28)21-3-1-5-23(13-21)31-15-17-7-9-20-12-18(8-10-19(20)11-17)16-32-24-6-2-4-22(14-24)26(29)30;/h1-14H,15-16H2,(H3,27,28)(H3,29,30);1H
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PubMed
n/an/a 7.20E+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