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BDBM50114446 5-Methyl-2-naphthalen-2-yl-2H-pyrazole-3-carboxylic acid (2'-sulfamoyl-biphenyl-4-yl)-amide::CHEMBL47250

SMILES: Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccc2ccccc2c1

InChI Key: InChIKey=AJXWWGYMFIDTSF-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 = 50114446   
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 (KLK1)


(Homo sapiens (Human))
BDBM50114446
PNG
(5-Methyl-2-naphthalen-2-yl-2H-pyrazole-3-carboxyli...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C27H22N4O3S/c1-18-16-25(31(30-18)23-15-12-19-6-2-3-7-21(19)17-23)27(32)29-22-13-10-20(11-14-22)24-8-4-5-9-26(24)35(28,33)34/h2-17H,1H3,(H,29,32)(H2,28,33,34)
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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))
BDBM50114446
PNG
(5-Methyl-2-naphthalen-2-yl-2H-pyrazole-3-carboxyli...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C27H22N4O3S/c1-18-16-25(31(30-18)23-15-12-19-6-2-3-7-21(19)17-23)27(32)29-22-13-10-20(11-14-22)24-8-4-5-9-26(24)35(28,33)34/h2-17H,1H3,(H,29,32)(H2,28,33,34)
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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
Prothrombin


(Homo sapiens (Human))
BDBM50114446
PNG
(5-Methyl-2-naphthalen-2-yl-2H-pyrazole-3-carboxyli...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C27H22N4O3S/c1-18-16-25(31(30-18)23-15-12-19-6-2-3-7-21(19)17-23)27(32)29-22-13-10-20(11-14-22)24-8-4-5-9-26(24)35(28,33)34/h2-17H,1H3,(H,29,32)(H2,28,33,34)
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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))
BDBM50114446
PNG
(5-Methyl-2-naphthalen-2-yl-2H-pyrazole-3-carboxyli...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C27H22N4O3S/c1-18-16-25(31(30-18)23-15-12-19-6-2-3-7-21(19)17-23)27(32)29-22-13-10-20(11-14-22)24-8-4-5-9-26(24)35(28,33)34/h2-17H,1H3,(H,29,32)(H2,28,33,34)
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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
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM50114446
PNG
(5-Methyl-2-naphthalen-2-yl-2H-pyrazole-3-carboxyli...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C27H22N4O3S/c1-18-16-25(31(30-18)23-15-12-19-6-2-3-7-21(19)17-23)27(32)29-22-13-10-20(11-14-22)24-8-4-5-9-26(24)35(28,33)34/h2-17H,1H3,(H,29,32)(H2,28,33,34)
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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 activated protein C


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))
BDBM50114446
PNG
(5-Methyl-2-naphthalen-2-yl-2H-pyrazole-3-carboxyli...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C27H22N4O3S/c1-18-16-25(31(30-18)23-15-12-19-6-2-3-7-21(19)17-23)27(32)29-22-13-10-20(11-14-22)24-8-4-5-9-26(24)35(28,33)34/h2-17H,1H3,(H,29,32)(H2,28,33,34)
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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))
BDBM50114446
PNG
(5-Methyl-2-naphthalen-2-yl-2H-pyrazole-3-carboxyli...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C27H22N4O3S/c1-18-16-25(31(30-18)23-15-12-19-6-2-3-7-21(19)17-23)27(32)29-22-13-10-20(11-14-22)24-8-4-5-9-26(24)35(28,33)34/h2-17H,1H3,(H,29,32)(H2,28,33,34)
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n/an/a 104n/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