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BDBM50114449 3-[3-Methyl-5-(2'-sulfamoyl-biphenyl-4-ylcarbamoyl)-pyrazol-1-yl]-naphthalene-2-carboxylic acid methyl ester::CHEMBL298259

SMILES: COC(=O)c1cc2ccccc2cc1-n1nc(C)cc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O

InChI Key: InChIKey=COBIVKOGOVIEAB-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50114449   
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
Kallikrein 1


(Homo sapiens (Human))
BDBM50114449
PNG
(3-[3-Methyl-5-(2'-sulfamoyl-biphenyl-4-ylcarbamoyl...)
Show SMILES COC(=O)c1cc2ccccc2cc1-n1nc(C)cc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C29H24N4O5S/c1-18-15-26(33(32-18)25-17-21-8-4-3-7-20(21)16-24(25)29(35)38-2)28(34)31-22-13-11-19(12-14-22)23-9-5-6-10-27(23)39(30,36)37/h3-17H,1-2H3,(H,31,34)(H2,30,36,37)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against kallikrein


Bioorg Med Chem Lett 12: 1651-5 (2002)


BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50114449
PNG
(3-[3-Methyl-5-(2'-sulfamoyl-biphenyl-4-ylcarbamoyl...)
Show SMILES COC(=O)c1cc2ccccc2cc1-n1nc(C)cc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C29H24N4O5S/c1-18-15-26(33(32-18)25-17-21-8-4-3-7-20(21)16-24(25)29(35)38-2)28(34)31-22-13-11-19(12-14-22)23-9-5-6-10-27(23)39(30,36)37/h3-17H,1-2H3,(H,31,34)(H2,30,36,37)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against tissue plasminogen activator


Bioorg Med Chem Lett 12: 1651-5 (2002)


BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50114449
PNG
(3-[3-Methyl-5-(2'-sulfamoyl-biphenyl-4-ylcarbamoyl...)
Show SMILES COC(=O)c1cc2ccccc2cc1-n1nc(C)cc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C29H24N4O5S/c1-18-15-26(33(32-18)25-17-21-8-4-3-7-20(21)16-24(25)29(35)38-2)28(34)31-22-13-11-19(12-14-22)23-9-5-6-10-27(23)39(30,36)37/h3-17H,1-2H3,(H,31,34)(H2,30,36,37)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin


Bioorg Med Chem Lett 12: 1651-5 (2002)


BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50114449
PNG
(3-[3-Methyl-5-(2'-sulfamoyl-biphenyl-4-ylcarbamoyl...)
Show SMILES COC(=O)c1cc2ccccc2cc1-n1nc(C)cc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C29H24N4O5S/c1-18-15-26(33(32-18)25-17-21-8-4-3-7-20(21)16-24(25)29(35)38-2)28(34)31-22-13-11-19(12-14-22)23-9-5-6-10-27(23)39(30,36)37/h3-17H,1-2H3,(H,31,34)(H2,30,36,37)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against plasmin


Bioorg Med Chem Lett 12: 1651-5 (2002)


BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50114449
PNG
(3-[3-Methyl-5-(2'-sulfamoyl-biphenyl-4-ylcarbamoyl...)
Show SMILES COC(=O)c1cc2ccccc2cc1-n1nc(C)cc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C29H24N4O5S/c1-18-15-26(33(32-18)25-17-21-8-4-3-7-20(21)16-24(25)29(35)38-2)28(34)31-22-13-11-19(12-14-22)23-9-5-6-10-27(23)39(30,36)37/h3-17H,1-2H3,(H,31,34)(H2,30,36,37)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against trypsin


Bioorg Med Chem Lett 12: 1651-5 (2002)


BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50114449
PNG
(3-[3-Methyl-5-(2'-sulfamoyl-biphenyl-4-ylcarbamoyl...)
Show SMILES COC(=O)c1cc2ccccc2cc1-n1nc(C)cc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C29H24N4O5S/c1-18-15-26(33(32-18)25-17-21-8-4-3-7-20(21)16-24(25)29(35)38-2)28(34)31-22-13-11-19(12-14-22)23-9-5-6-10-27(23)39(30,36)37/h3-17H,1-2H3,(H,31,34)(H2,30,36,37)
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n/an/a 545n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against coagulation factor Xa


Bioorg Med Chem Lett 12: 1651-5 (2002)


BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM50114449
PNG
(3-[3-Methyl-5-(2'-sulfamoyl-biphenyl-4-ylcarbamoyl...)
Show SMILES COC(=O)c1cc2ccccc2cc1-n1nc(C)cc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C29H24N4O5S/c1-18-15-26(33(32-18)25-17-21-8-4-3-7-20(21)16-24(25)29(35)38-2)28(34)31-22-13-11-19(12-14-22)23-9-5-6-10-27(23)39(30,36)37/h3-17H,1-2H3,(H,31,34)(H2,30,36,37)
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PubMed
n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against activated protein C


Bioorg Med Chem Lett 12: 1651-5 (2002)


BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair