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BDBM50189311 4,4''-(1,2-Phenylenebis(Methylene))Bis(Oxy)Dibenzimidamide::CHEMBL181480

SMILES: NC(=N)c1ccc(OCc2ccccc2COc2ccc(cc2)C(N)=N)cc1

InChI Key: InChIKey=DBQNFQRZGKINAU-UHFFFAOYSA-N

Data: 5 KI

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Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50189311   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Trypsin


(Homo sapiens (Human))
BDBM50189311
PNG
(4,4''-(1,2-Phenylenebis(Methylene))Bis(Oxy)Dibenzi...)
Show SMILES NC(=N)c1ccc(OCc2ccccc2COc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C22H22N4O2/c23-21(24)15-5-9-19(10-6-15)27-13-17-3-1-2-4-18(17)14-28-20-11-7-16(8-12-20)22(25)26/h1-12H,13-14H2,(H3,23,24)(H3,25,26)
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PC cid
PC sid
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Article
PubMed
221n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human trypsin using Boc-Gln-Ala-Arg-AMC as substrate after 20 mins by fluorimetric analysis


Bioorg Med Chem Lett 26: 3741-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.071
BindingDB Entry DOI: 10.7270/Q29025QN
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50189311
PNG
(4,4''-(1,2-Phenylenebis(Methylene))Bis(Oxy)Dibenzi...)
Show SMILES NC(=N)c1ccc(OCc2ccccc2COc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C22H22N4O2/c23-21(24)15-5-9-19(10-6-15)27-13-17-3-1-2-4-18(17)14-28-20-11-7-16(8-12-20)22(25)26/h1-12H,13-14H2,(H3,23,24)(H3,25,26)
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Article
PubMed
279n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human thrombin using Cbz-Gly-Gly-Arg-AMC as substrate after 20 mins by fluorimetric analysis


Bioorg Med Chem Lett 26: 3741-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.071
BindingDB Entry DOI: 10.7270/Q29025QN
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (Human))
BDBM50189311
PNG
(4,4''-(1,2-Phenylenebis(Methylene))Bis(Oxy)Dibenzi...)
Show SMILES NC(=N)c1ccc(OCc2ccccc2COc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C22H22N4O2/c23-21(24)15-5-9-19(10-6-15)27-13-17-3-1-2-4-18(17)14-28-20-11-7-16(8-12-20)22(25)26/h1-12H,13-14H2,(H3,23,24)(H3,25,26)
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PubMed
2.28E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human matriptase using Boc-Gln-Ala-Arg-AMC as substrate after 20 mins by fluorimetric analysis


Bioorg Med Chem Lett 26: 3741-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.071
BindingDB Entry DOI: 10.7270/Q29025QN
More data for this
Ligand-Target Pair
Transmembrane protease serine 6


(Homo sapiens (Human))
BDBM50189311
PNG
(4,4''-(1,2-Phenylenebis(Methylene))Bis(Oxy)Dibenzi...)
Show SMILES NC(=N)c1ccc(OCc2ccccc2COc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C22H22N4O2/c23-21(24)15-5-9-19(10-6-15)27-13-17-3-1-2-4-18(17)14-28-20-11-7-16(8-12-20)22(25)26/h1-12H,13-14H2,(H3,23,24)(H3,25,26)
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5.20E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human matriptase-2 transfected in HEK cells using Boc-Gln-Ala-Arg-AMC as substrate after 20 mins by fluorimetric analysis


Bioorg Med Chem Lett 26: 3741-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.071
BindingDB Entry DOI: 10.7270/Q29025QN
More data for this
Ligand-Target Pair
Coagulation factor X


(Bos taurus)
BDBM50189311
PNG
(4,4''-(1,2-Phenylenebis(Methylene))Bis(Oxy)Dibenzi...)
Show SMILES NC(=N)c1ccc(OCc2ccccc2COc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C22H22N4O2/c23-21(24)15-5-9-19(10-6-15)27-13-17-3-1-2-4-18(17)14-28-20-11-7-16(8-12-20)22(25)26/h1-12H,13-14H2,(H3,23,24)(H3,25,26)
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Article
PubMed
1.37E+4n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of bovine factor 10a using Boc-Ile-Glu-Gly-Arg-AMC as substrate after 20 mins by fluorimetric analysis


Bioorg Med Chem Lett 26: 3741-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.071
BindingDB Entry DOI: 10.7270/Q29025QN
More data for this
Ligand-Target Pair