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4 similar compounds to monomer 50379838

Compile data set for download or QSAR
Wt: 626.2
BDBM50010135
Wt: 394.2
BDBM50010107
Wt: 520.1
BDBM50010110
Wt: 900.2
BDBM50010130

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50010135,50010107,50010110,50010130   
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
Glandular kallikrein


(Sus scrofa)
BDBM50010135
PNG
(CHEMBL548400)
Show SMILES NC(=N)c1ccc(OCc2cccc(COc3ccc(cc3I)C(N)=N)c2)c(I)c1
Show InChI InChI=1S/C22H20I2N4O2/c23-17-9-15(21(25)26)4-6-19(17)29-11-13-2-1-3-14(8-13)12-30-20-7-5-16(22(27)28)10-18(20)24/h1-10H,11-12H2,(H3,25,26)(H3,27,28)
PDB
MMDB

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Article
PubMed
31n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic kallikrein using BPPANA 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
Glandular kallikrein


(Sus scrofa)
BDBM50010130
PNG
(CHEMBL3245418)
Show SMILES NC(=N)c1ccc(OCc2cc(COc3ccc(cc3I)C(N)=N)cc(COc3ccc(cc3I)C(N)=N)c2)c(I)c1
Show InChI InChI=1S/C30H27I3N6O3/c31-22-10-19(28(34)35)1-4-25(22)40-13-16-7-17(14-41-26-5-2-20(29(36)37)11-23(26)32)9-18(8-16)15-42-27-6-3-21(30(38)39)12-24(27)33/h1-12H,13-15H2,(H3,34,35)(H3,36,37)(H3,38,39)
PDB
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Article
PubMed
39n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic kallikrein


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)
BDBM50010110
PNG
(CHEMBL2417998)
Show SMILES NC(=N)c1cccc(COc2c(I)cc(cc2I)C(N)=N)c1
Show InChI InChI=1S/C15H14I2N4O/c16-11-5-10(15(20)21)6-12(17)13(11)22-7-8-2-1-3-9(4-8)14(18)19/h1-6H,7H2,(H3,18,19)(H3,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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Article
PubMed
190n/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)
BDBM50010107
PNG
(CHEMBL2418015)
Show SMILES NC(=N)c1ccc(COc2ccc(cc2I)C(N)=N)cc1
Show InChI InChI=1S/C15H15IN4O/c16-12-7-11(15(19)20)5-6-13(12)21-8-9-1-3-10(4-2-9)14(17)18/h1-7H,8H2,(H3,17,18)(H3,19,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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Article
PubMed
450n/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)
BDBM50010130
PNG
(CHEMBL3245418)
Show SMILES NC(=N)c1ccc(OCc2cc(COc3ccc(cc3I)C(N)=N)cc(COc3ccc(cc3I)C(N)=N)c2)c(I)c1
Show InChI InChI=1S/C30H27I3N6O3/c31-22-10-19(28(34)35)1-4-25(22)40-13-16-7-17(14-41-26-5-2-20(29(36)37)11-23(26)32)9-18(8-16)15-42-27-6-3-21(30(38)39)12-24(27)33/h1-12H,13-15H2,(H3,34,35)(H3,36,37)(H3,38,39)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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CHEMBL
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PC sid
UniChem

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Article
PubMed
640n/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))
BDBM50010135
PNG
(CHEMBL548400)
Show SMILES NC(=N)c1ccc(OCc2cccc(COc3ccc(cc3I)C(N)=N)c2)c(I)c1
Show InChI InChI=1S/C22H20I2N4O2/c23-17-9-15(21(25)26)4-6-19(17)29-11-13-2-1-3-14(8-13)12-30-20-7-5-16(22(27)28)10-18(20)24/h1-10H,11-12H2,(H3,25,26)(H3,27,28)
PDB

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Article
PubMed
1.20E+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
Acrosin


(Sus scrofa)
BDBM50010135
PNG
(CHEMBL548400)
Show SMILES NC(=N)c1ccc(OCc2cccc(COc3ccc(cc3I)C(N)=N)c2)c(I)c1
Show InChI InChI=1S/C22H20I2N4O2/c23-17-9-15(21(25)26)4-6-19(17)29-11-13-2-1-3-14(8-13)12-30-20-7-5-16(22(27)28)10-18(20)24/h1-10H,11-12H2,(H3,25,26)(H3,27,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.30E+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