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BDBM50114455 2'-Sulfamoyl-biphenyl-4-carboxylic acid [2-(3-carbamimidoyl-phenoxy)-ethyl]-amide::CHEMBL432306

SMILES: NC(=N)c1cccc(OCCNC(=O)c2ccc(cc2)-c2ccccc2S(N)(=O)=O)c1

InChI Key: InChIKey=GBESWEXYGNVXSU-UHFFFAOYSA-N

Data: 8 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50114455   
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
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM50114455
PNG
(2'-Sulfamoyl-biphenyl-4-carboxylic acid [2-(3-carb...)
Show SMILES NC(=N)c1cccc(OCCNC(=O)c2ccc(cc2)-c2ccccc2S(N)(=O)=O)c1
Show InChI InChI=1S/C22H22N4O4S/c23-21(24)17-4-3-5-18(14-17)30-13-12-26-22(27)16-10-8-15(9-11-16)19-6-1-2-7-20(19)31(25,28)29/h1-11,14H,12-13H2,(H3,23,24)(H,26,27)(H2,25,28,29)
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PubMed
n/an/a 3.70E+3n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibitory activity against activated protein C (APC)


Bioorg Med Chem Lett 12: 1657-61 (2002)


BindingDB Entry DOI: 10.7270/Q2R49Q2T
More data for this
Ligand-Target Pair
Kallikrein 1


(Homo sapiens (Human))
BDBM50114455
PNG
(2'-Sulfamoyl-biphenyl-4-carboxylic acid [2-(3-carb...)
Show SMILES NC(=N)c1cccc(OCCNC(=O)c2ccc(cc2)-c2ccccc2S(N)(=O)=O)c1
Show InChI InChI=1S/C22H22N4O4S/c23-21(24)17-4-3-5-18(14-17)30-13-12-26-22(27)16-10-8-15(9-11-16)19-6-1-2-7-20(19)31(25,28)29/h1-11,14H,12-13H2,(H3,23,24)(H,26,27)(H2,25,28,29)
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PubMed
n/an/a 2.10E+3n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibitory activity against kallikrein


Bioorg Med Chem Lett 12: 1657-61 (2002)


BindingDB Entry DOI: 10.7270/Q2R49Q2T
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50114455
PNG
(2'-Sulfamoyl-biphenyl-4-carboxylic acid [2-(3-carb...)
Show SMILES NC(=N)c1cccc(OCCNC(=O)c2ccc(cc2)-c2ccccc2S(N)(=O)=O)c1
Show InChI InChI=1S/C22H22N4O4S/c23-21(24)17-4-3-5-18(14-17)30-13-12-26-22(27)16-10-8-15(9-11-16)19-6-1-2-7-20(19)31(25,28)29/h1-11,14H,12-13H2,(H3,23,24)(H,26,27)(H2,25,28,29)
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n/an/a 1.30E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibitory activity against plasmin


Bioorg Med Chem Lett 12: 1657-61 (2002)


BindingDB Entry DOI: 10.7270/Q2R49Q2T
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50114455
PNG
(2'-Sulfamoyl-biphenyl-4-carboxylic acid [2-(3-carb...)
Show SMILES NC(=N)c1cccc(OCCNC(=O)c2ccc(cc2)-c2ccccc2S(N)(=O)=O)c1
Show InChI InChI=1S/C22H22N4O4S/c23-21(24)17-4-3-5-18(14-17)30-13-12-26-22(27)16-10-8-15(9-11-16)19-6-1-2-7-20(19)31(25,28)29/h1-11,14H,12-13H2,(H3,23,24)(H,26,27)(H2,25,28,29)
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Article
PubMed
n/an/a 7.5n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against coagulation factor Xa.


Bioorg Med Chem Lett 14: 983-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.079
BindingDB Entry DOI: 10.7270/Q21V5DF7
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50114455
PNG
(2'-Sulfamoyl-biphenyl-4-carboxylic acid [2-(3-carb...)
Show SMILES NC(=N)c1cccc(OCCNC(=O)c2ccc(cc2)-c2ccccc2S(N)(=O)=O)c1
Show InChI InChI=1S/C22H22N4O4S/c23-21(24)17-4-3-5-18(14-17)30-13-12-26-22(27)16-10-8-15(9-11-16)19-6-1-2-7-20(19)31(25,28)29/h1-11,14H,12-13H2,(H3,23,24)(H,26,27)(H2,25,28,29)
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PubMed
n/an/a 7.5n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibitory activity against Coagulation factor Xa


Bioorg Med Chem Lett 12: 1657-61 (2002)


BindingDB Entry DOI: 10.7270/Q2R49Q2T
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50114455
PNG
(2'-Sulfamoyl-biphenyl-4-carboxylic acid [2-(3-carb...)
Show SMILES NC(=N)c1cccc(OCCNC(=O)c2ccc(cc2)-c2ccccc2S(N)(=O)=O)c1
Show InChI InChI=1S/C22H22N4O4S/c23-21(24)17-4-3-5-18(14-17)30-13-12-26-22(27)16-10-8-15(9-11-16)19-6-1-2-7-20(19)31(25,28)29/h1-11,14H,12-13H2,(H3,23,24)(H,26,27)(H2,25,28,29)
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PubMed
n/an/a 1.09E+5n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibitory activity against Tissue plasminogen activator (tissue plasminogen activator)


Bioorg Med Chem Lett 12: 1657-61 (2002)


BindingDB Entry DOI: 10.7270/Q2R49Q2T
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50114455
PNG
(2'-Sulfamoyl-biphenyl-4-carboxylic acid [2-(3-carb...)
Show SMILES NC(=N)c1cccc(OCCNC(=O)c2ccc(cc2)-c2ccccc2S(N)(=O)=O)c1
Show InChI InChI=1S/C22H22N4O4S/c23-21(24)17-4-3-5-18(14-17)30-13-12-26-22(27)16-10-8-15(9-11-16)19-6-1-2-7-20(19)31(25,28)29/h1-11,14H,12-13H2,(H3,23,24)(H,26,27)(H2,25,28,29)
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PubMed
n/an/a 3.21E+5n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibitory activity against thrombin


Bioorg Med Chem Lett 12: 1657-61 (2002)


BindingDB Entry DOI: 10.7270/Q2R49Q2T
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50114455
PNG
(2'-Sulfamoyl-biphenyl-4-carboxylic acid [2-(3-carb...)
Show SMILES NC(=N)c1cccc(OCCNC(=O)c2ccc(cc2)-c2ccccc2S(N)(=O)=O)c1
Show InChI InChI=1S/C22H22N4O4S/c23-21(24)17-4-3-5-18(14-17)30-13-12-26-22(27)16-10-8-15(9-11-16)19-6-1-2-7-20(19)31(25,28)29/h1-11,14H,12-13H2,(H3,23,24)(H,26,27)(H2,25,28,29)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibitory activity against trypsin


Bioorg Med Chem Lett 12: 1657-61 (2002)


BindingDB Entry DOI: 10.7270/Q2R49Q2T
More data for this
Ligand-Target Pair