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BDBM50114447 3-[3-Methyl-5-(2'-sulfamoyl-biphenyl-4-ylcarbamoyl)-pyrazol-1-yl]-naphthalene-2-carboxylic acid::CHEMBL42702

SMILES: Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1C(O)=O

InChI Key: InChIKey=WQMSBANVKKNMEF-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 = 50114447   
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))
BDBM50114447
PNG
(3-[3-Methyl-5-(2'-sulfamoyl-biphenyl-4-ylcarbamoyl...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1C(O)=O
Show InChI InChI=1S/C28H22N4O5S/c1-17-14-25(32(31-17)24-16-20-7-3-2-6-19(20)15-23(24)28(34)35)27(33)30-21-12-10-18(11-13-21)22-8-4-5-9-26(22)38(29,36)37/h2-16H,1H3,(H,30,33)(H,34,35)(H2,29,36,37)
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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))
BDBM50114447
PNG
(3-[3-Methyl-5-(2'-sulfamoyl-biphenyl-4-ylcarbamoyl...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1C(O)=O
Show InChI InChI=1S/C28H22N4O5S/c1-17-14-25(32(31-17)24-16-20-7-3-2-6-19(20)15-23(24)28(34)35)27(33)30-21-12-10-18(11-13-21)22-8-4-5-9-26(22)38(29,36)37/h2-16H,1H3,(H,30,33)(H,34,35)(H2,29,36,37)
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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
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM50114447
PNG
(3-[3-Methyl-5-(2'-sulfamoyl-biphenyl-4-ylcarbamoyl...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1C(O)=O
Show InChI InChI=1S/C28H22N4O5S/c1-17-14-25(32(31-17)24-16-20-7-3-2-6-19(20)15-23(24)28(34)35)27(33)30-21-12-10-18(11-13-21)22-8-4-5-9-26(22)38(29,36)37/h2-16H,1H3,(H,30,33)(H,34,35)(H2,29,36,37)
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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 activated protein C


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))
BDBM50114447
PNG
(3-[3-Methyl-5-(2'-sulfamoyl-biphenyl-4-ylcarbamoyl...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1C(O)=O
Show InChI InChI=1S/C28H22N4O5S/c1-17-14-25(32(31-17)24-16-20-7-3-2-6-19(20)15-23(24)28(34)35)27(33)30-21-12-10-18(11-13-21)22-8-4-5-9-26(22)38(29,36)37/h2-16H,1H3,(H,30,33)(H,34,35)(H2,29,36,37)
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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))
BDBM50114447
PNG
(3-[3-Methyl-5-(2'-sulfamoyl-biphenyl-4-ylcarbamoyl...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1C(O)=O
Show InChI InChI=1S/C28H22N4O5S/c1-17-14-25(32(31-17)24-16-20-7-3-2-6-19(20)15-23(24)28(34)35)27(33)30-21-12-10-18(11-13-21)22-8-4-5-9-26(22)38(29,36)37/h2-16H,1H3,(H,30,33)(H,34,35)(H2,29,36,37)
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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
Coagulation factor X


(Homo sapiens (Human))
BDBM50114447
PNG
(3-[3-Methyl-5-(2'-sulfamoyl-biphenyl-4-ylcarbamoyl...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1C(O)=O
Show InChI InChI=1S/C28H22N4O5S/c1-17-14-25(32(31-17)24-16-20-7-3-2-6-19(20)15-23(24)28(34)35)27(33)30-21-12-10-18(11-13-21)22-8-4-5-9-26(22)38(29,36)37/h2-16H,1H3,(H,30,33)(H,34,35)(H2,29,36,37)
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n/an/a 376n/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
Trypsin-1


(Homo sapiens (Human))
BDBM50114447
PNG
(3-[3-Methyl-5-(2'-sulfamoyl-biphenyl-4-ylcarbamoyl...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1C(O)=O
Show InChI InChI=1S/C28H22N4O5S/c1-17-14-25(32(31-17)24-16-20-7-3-2-6-19(20)15-23(24)28(34)35)27(33)30-21-12-10-18(11-13-21)22-8-4-5-9-26(22)38(29,36)37/h2-16H,1H3,(H,30,33)(H,34,35)(H2,29,36,37)
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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