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BDBM50114445 2-(6-Hydroxy-naphthalen-2-yl)-5-methyl-2H-pyrazole-3-carboxylic acid (2'-sulfamoyl-biphenyl-4-yl)-amide::CHEMBL44753

SMILES: Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccc2cc(O)ccc2c1

InChI Key: InChIKey=PRMJNNSKWYBDSB-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 = 50114445   
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
Plasminogen


(Homo sapiens (Human))
BDBM50114445
PNG
(2-(6-Hydroxy-naphthalen-2-yl)-5-methyl-2H-pyrazole...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccc2cc(O)ccc2c1
Show InChI InChI=1S/C27H22N4O4S/c1-17-14-25(31(30-17)22-12-8-20-16-23(32)13-9-19(20)15-22)27(33)29-21-10-6-18(7-11-21)24-4-2-3-5-26(24)36(28,34)35/h2-16,32H,1H3,(H,29,33)(H2,28,34,35)
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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
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50114445
PNG
(2-(6-Hydroxy-naphthalen-2-yl)-5-methyl-2H-pyrazole...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccc2cc(O)ccc2c1
Show InChI InChI=1S/C27H22N4O4S/c1-17-14-25(31(30-17)22-12-8-20-16-23(32)13-9-19(20)15-22)27(33)29-21-10-6-18(7-11-21)24-4-2-3-5-26(24)36(28,34)35/h2-16,32H,1H3,(H,29,33)(H2,28,34,35)
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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
Prothrombin


(Homo sapiens (Human))
BDBM50114445
PNG
(2-(6-Hydroxy-naphthalen-2-yl)-5-methyl-2H-pyrazole...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccc2cc(O)ccc2c1
Show InChI InChI=1S/C27H22N4O4S/c1-17-14-25(31(30-17)22-12-8-20-16-23(32)13-9-19(20)15-22)27(33)29-21-10-6-18(7-11-21)24-4-2-3-5-26(24)36(28,34)35/h2-16,32H,1H3,(H,29,33)(H2,28,34,35)
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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))
BDBM50114445
PNG
(2-(6-Hydroxy-naphthalen-2-yl)-5-methyl-2H-pyrazole...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccc2cc(O)ccc2c1
Show InChI InChI=1S/C27H22N4O4S/c1-17-14-25(31(30-17)22-12-8-20-16-23(32)13-9-19(20)15-22)27(33)29-21-10-6-18(7-11-21)24-4-2-3-5-26(24)36(28,34)35/h2-16,32H,1H3,(H,29,33)(H2,28,34,35)
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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
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM50114445
PNG
(2-(6-Hydroxy-naphthalen-2-yl)-5-methyl-2H-pyrazole...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccc2cc(O)ccc2c1
Show InChI InChI=1S/C27H22N4O4S/c1-17-14-25(31(30-17)22-12-8-20-16-23(32)13-9-19(20)15-22)27(33)29-21-10-6-18(7-11-21)24-4-2-3-5-26(24)36(28,34)35/h2-16,32H,1H3,(H,29,33)(H2,28,34,35)
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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))
BDBM50114445
PNG
(2-(6-Hydroxy-naphthalen-2-yl)-5-methyl-2H-pyrazole...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccc2cc(O)ccc2c1
Show InChI InChI=1S/C27H22N4O4S/c1-17-14-25(31(30-17)22-12-8-20-16-23(32)13-9-19(20)15-22)27(33)29-21-10-6-18(7-11-21)24-4-2-3-5-26(24)36(28,34)35/h2-16,32H,1H3,(H,29,33)(H2,28,34,35)
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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))
BDBM50114445
PNG
(2-(6-Hydroxy-naphthalen-2-yl)-5-methyl-2H-pyrazole...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccc2cc(O)ccc2c1
Show InChI InChI=1S/C27H22N4O4S/c1-17-14-25(31(30-17)22-12-8-20-16-23(32)13-9-19(20)15-22)27(33)29-21-10-6-18(7-11-21)24-4-2-3-5-26(24)36(28,34)35/h2-16,32H,1H3,(H,29,33)(H2,28,34,35)
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n/an/a 3.51E+3n/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