BindingDB logo
myBDB logout

11 similar compounds to monomer 45440

Wt: 236.3
BDBM49206
Purchase
Wt: 354.4
BDBM50015234
Purchase
Wt: 312.3
BDBM50368092
Purchase
Wt: 326.3
BDBM50368102
Wt: 382.4
BDBM50010123
Wt: 410.5
BDBM50010125
Wt: 438.6
BDBM50010127
Wt: 298.3
BDBM50010113
Wt: 313.3
BDBM50010114
Wt: 340.4
BDBM50010122
Wt: 466.6
BDBM50010128

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 49206,50015234,50368092,50368102,50010123,50010125,50010127,50010113,50010114,50010122,50010128   
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)
BDBM50010128
PNG
(CHEMBL3245416)
Show SMILES NC(=N)c1ccc(OCCCCCCCCCCCCCCOc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C28H42N4O2/c29-27(30)23-13-17-25(18-14-23)33-21-11-9-7-5-3-1-2-4-6-8-10-12-22-34-26-19-15-24(16-20-26)28(31)32/h13-20H,1-12,21-22H2,(H3,29,30)(H3,31,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
130n/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
Prothrombin


(Homo sapiens (Human))
BDBM50015234
PNG
(4,4''[1,6-HEXANEDIYLBIS(OXY)]BISBENZENECARBOXIMIDA...)
Show SMILES NC(=N)c1ccc(OCCCCCCOc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C20H26N4O2/c21-19(22)15-5-9-17(10-6-15)25-13-3-1-2-4-14-26-18-11-7-16(8-12-18)20(23)24/h5-12H,1-4,13-14H2,(H3,21,22)(H3,23,24)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
224n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
compound was tested for inhibitory activity against Thrombin


J Med Chem 44: 1349-55 (2001)


Article DOI: 10.1021/jm000395x
BindingDB Entry DOI: 10.7270/Q2057F62
More data for this
Ligand-Target Pair
Acrosin


(Sus scrofa)
BDBM50010113
PNG
(CHEMBL3245402)
Show SMILES NC(=N)c1ccc(OCCCCCOc2ccccc2)cc1
Show InChI InChI=1S/C18H22N2O2/c19-18(20)15-9-11-17(12-10-15)22-14-6-2-5-13-21-16-7-3-1-4-8-16/h1,3-4,7-12H,2,5-6,13-14H2,(H3,19,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
280n/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)
BDBM50010127
PNG
(CHEMBL3245415)
Show SMILES NC(=N)c1ccc(OCCCCCCCCCCCCOc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C26H38N4O2/c27-25(28)21-11-15-23(16-12-21)31-19-9-7-5-3-1-2-4-6-8-10-20-32-24-17-13-22(14-18-24)26(29)30/h11-18H,1-10,19-20H2,(H3,27,28)(H3,29,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
440n/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)
BDBM50010125
PNG
(CHEMBL3245413)
Show SMILES NC(=N)c1ccc(OCCCCCCCCCCOc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C24H34N4O2/c25-23(26)19-9-13-21(14-10-19)29-17-7-5-3-1-2-4-6-8-18-30-22-15-11-20(12-16-22)24(27)28/h9-16H,1-8,17-18H2,(H3,25,26)(H3,27,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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
Matriptase


(Homo sapiens (human))
BDBM50015234
PNG
(4,4''[1,6-HEXANEDIYLBIS(OXY)]BISBENZENECARBOXIMIDA...)
Show SMILES NC(=N)c1ccc(OCCCCCCOc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C20H26N4O2/c21-19(22)15-5-9-17(10-6-15)25-13-3-1-2-4-14-26-18-11-7-16(8-12-18)20(23)24/h5-12H,1-4,13-14H2,(H3,21,22)(H3,23,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
924n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
compound was tested for inhibitory activity against Matriptase


J Med Chem 44: 1349-55 (2001)


Article DOI: 10.1021/jm000395x
BindingDB Entry DOI: 10.7270/Q2057F62
More data for this
Ligand-Target Pair
Acrosin


(Sus scrofa)
BDBM50010122
PNG
(CHEMBL3245410)
Show SMILES NC(=N)c1ccc(OCCCCCCCCOc2ccccc2)cc1
Show InChI InChI=1S/C21H28N2O2/c22-21(23)18-12-14-20(15-13-18)25-17-9-4-2-1-3-8-16-24-19-10-6-5-7-11-19/h5-7,10-15H,1-4,8-9,16-17H2,(H3,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.00E+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)
BDBM50010123
PNG
(CHEMBL3245411)
Show SMILES NC(=N)c1ccc(OCCCCCCCCOc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C22H30N4O2/c23-21(24)17-7-11-19(12-8-17)27-15-5-3-1-2-4-6-16-28-20-13-9-18(10-14-20)22(25)26/h7-14H,1-6,15-16H2,(H3,23,24)(H3,25,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.20E+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
Trypsin-1


(Homo sapiens (human))
BDBM50368102
PNG
(CHEMBL494850)
Show SMILES NC(=N)c1ccc(OCCCCOc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C18H22N4O2/c19-17(20)13-3-7-15(8-4-13)23-11-1-2-12-24-16-9-5-14(6-10-16)18(21)22/h3-10H,1-2,11-12H2,(H3,19,20)(H3,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.50E+3n/an/an/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of trypsin by amidase assay.


J Med Chem 33: 1252-7 (1990)


Article DOI: 10.1021/jm00166a026
BindingDB Entry DOI: 10.7270/Q2154HNW
More data for this
Ligand-Target Pair
Acrosin


(Sus scrofa)
BDBM50010114
PNG
(CHEMBL1187216)
Show SMILES NC(=N)c1ccc(OCCCCCOc2ccc(N)cc2)cc1
Show InChI InChI=1S/C18H23N3O2/c19-15-6-10-17(11-7-15)23-13-3-1-2-12-22-16-8-4-14(5-9-16)18(20)21/h4-11H,1-3,12-13,19H2,(H3,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.00E+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
Trypsin-1


(Homo sapiens (human))
BDBM50015234
PNG
(4,4''[1,6-HEXANEDIYLBIS(OXY)]BISBENZENECARBOXIMIDA...)
Show SMILES NC(=N)c1ccc(OCCCCCCOc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C20H26N4O2/c21-19(22)15-5-9-17(10-6-15)25-13-3-1-2-4-14-26-18-11-7-16(8-12-18)20(23)24/h5-12H,1-4,13-14H2,(H3,21,22)(H3,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
2.70E+3n/an/an/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of trypsin by amidase assay.


J Med Chem 33: 1252-7 (1990)


Article DOI: 10.1021/jm00166a026
BindingDB Entry DOI: 10.7270/Q2154HNW
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50368092
PNG
(GNF-PF-3839 | PROPAMIDINE CHLORIDE)
Show SMILES NC(=N)c1ccc(OCCCOc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C17H20N4O2/c18-16(19)12-2-6-14(7-3-12)22-10-1-11-23-15-8-4-13(5-9-15)17(20)21/h2-9H,1,10-11H2,(H3,18,19)(H3,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
3.30E+3n/an/an/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of trypsin by amidase assay.


J Med Chem 33: 1252-7 (1990)


Article DOI: 10.1021/jm00166a026
BindingDB Entry DOI: 10.7270/Q2154HNW
More data for this
Ligand-Target Pair
Acrosin


(Sus scrofa)
BDBM50368092
PNG
(GNF-PF-3839 | PROPAMIDINE CHLORIDE)
Show SMILES NC(=N)c1ccc(OCCCOc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C17H20N4O2/c18-16(19)12-2-6-14(7-3-12)22-10-1-11-23-15-8-4-13(5-9-15)17(20)21/h2-9H,1,10-11H2,(H3,18,19)(H3,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
3.50E+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
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50015234
PNG
(4,4''[1,6-HEXANEDIYLBIS(OXY)]BISBENZENECARBOXIMIDA...)
Show SMILES NC(=N)c1ccc(OCCCCCCOc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C20H26N4O2/c21-19(22)15-5-9-17(10-6-15)25-13-3-1-2-4-14-26-18-11-7-16(8-12-18)20(23)24/h5-12H,1-4,13-14H2,(H3,21,22)(H3,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
1.44E+4n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
compound was tested for inhibitory activity against Urokinase-type plasminogen activator(microPa)


J Med Chem 44: 1349-55 (2001)


Article DOI: 10.1021/jm000395x
BindingDB Entry DOI: 10.7270/Q2057F62
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50015234
PNG
(4,4''[1,6-HEXANEDIYLBIS(OXY)]BISBENZENECARBOXIMIDA...)
Show SMILES NC(=N)c1ccc(OCCCCCCOc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C20H26N4O2/c21-19(22)15-5-9-17(10-6-15)25-13-3-1-2-4-14-26-18-11-7-16(8-12-18)20(23)24/h5-12H,1-4,13-14H2,(H3,21,22)(H3,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

n/an/a>1.00E+4n/an/an/an/an/an/a



The Procter & Gamble Company

US Patent


Assay Description
Cytochrome P450 is a large and diverse group of enzymes that catalyze the oxidation of organic substances. Some members of the CYP family contribute ...


US Patent US9144538 (2015)


BindingDB Entry DOI: 10.7270/Q22806DV
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50015234
PNG
(4,4''[1,6-HEXANEDIYLBIS(OXY)]BISBENZENECARBOXIMIDA...)
Show SMILES NC(=N)c1ccc(OCCCCCCOc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C20H26N4O2/c21-19(22)15-5-9-17(10-6-15)25-13-3-1-2-4-14-26-18-11-7-16(8-12-18)20(23)24/h5-12H,1-4,13-14H2,(H3,21,22)(H3,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

n/an/a>1.00E+4n/an/an/an/an/an/a



The Procter & Gamble Company

US Patent


Assay Description
A commercially available P450-GLO Assay kit (Promega Corporation, Madison Wis.) is used to screen various compounds for CYP3A4A inhibition activity. ...


US Patent US9138393 (2015)


BindingDB Entry DOI: 10.7270/Q2GF0S8J
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B


(Homo sapiens (Human))
BDBM49206
PNG
(4-hexoxy-N'-hydroxy-benzamidine | 4-hexoxy-N'-hydr...)
Show SMILES CCCCCCOc1ccc(cc1)C(=N)NO
Show InChI InChI=1S/C13H20N2O2/c1-2-3-4-5-10-17-12-8-6-11(7-9-12)13(14)15-16/h6-9,16H,2-5,10H2,1H3,(H2,14,15)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


Similars

n/an/an/an/a 6.66E+6n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27P8WT7
More data for this
Ligand-Target Pair