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BDBM50142165 2-[4-(N'-Acetyl-hydrazinomethyl)-benzoylamino]-5-chloro-N-(5-chloro-pyridin-2-yl)-benzamide::CHEMBL368914

SMILES: CC(=O)NNCc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1

InChI Key: InChIKey=KTYNKAIXVXBDAA-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50142165   
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
Trypsin-1


(Homo sapiens (Human))
BDBM50142165
PNG
(2-[4-(N'-Acetyl-hydrazinomethyl)-benzoylamino]-5-c...)
Show SMILES CC(=O)NNCc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C22H19Cl2N5O3/c1-13(30)29-26-11-14-2-4-15(5-3-14)21(31)27-19-8-6-16(23)10-18(19)22(32)28-20-9-7-17(24)12-25-20/h2-10,12,26H,11H2,1H3,(H,27,31)(H,29,30)(H,25,28,32)
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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 14: 989-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.080
BindingDB Entry DOI: 10.7270/Q2X34WXD
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM50142165
PNG
(2-[4-(N'-Acetyl-hydrazinomethyl)-benzoylamino]-5-c...)
Show SMILES CC(=O)NNCc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C22H19Cl2N5O3/c1-13(30)29-26-11-14-2-4-15(5-3-14)21(31)27-19-8-6-16(23)10-18(19)22(32)28-20-9-7-17(24)12-25-20/h2-10,12,26H,11H2,1H3,(H,27,31)(H,29,30)(H,25,28,32)
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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 14: 989-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.080
BindingDB Entry DOI: 10.7270/Q2X34WXD
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50142165
PNG
(2-[4-(N'-Acetyl-hydrazinomethyl)-benzoylamino]-5-c...)
Show SMILES CC(=O)NNCc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C22H19Cl2N5O3/c1-13(30)29-26-11-14-2-4-15(5-3-14)21(31)27-19-8-6-16(23)10-18(19)22(32)28-20-9-7-17(24)12-25-20/h2-10,12,26H,11H2,1H3,(H,27,31)(H,29,30)(H,25,28,32)
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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 type plasminogen activator.


Bioorg Med Chem Lett 14: 989-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.080
BindingDB Entry DOI: 10.7270/Q2X34WXD
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142165
PNG
(2-[4-(N'-Acetyl-hydrazinomethyl)-benzoylamino]-5-c...)
Show SMILES CC(=O)NNCc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C22H19Cl2N5O3/c1-13(30)29-26-11-14-2-4-15(5-3-14)21(31)27-19-8-6-16(23)10-18(19)22(32)28-20-9-7-17(24)12-25-20/h2-10,12,26H,11H2,1H3,(H,27,31)(H,29,30)(H,25,28,32)
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n/an/a 40n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against coagulation factor X.


Bioorg Med Chem Lett 14: 989-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.080
BindingDB Entry DOI: 10.7270/Q2X34WXD
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50142165
PNG
(2-[4-(N'-Acetyl-hydrazinomethyl)-benzoylamino]-5-c...)
Show SMILES CC(=O)NNCc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C22H19Cl2N5O3/c1-13(30)29-26-11-14-2-4-15(5-3-14)21(31)27-19-8-6-16(23)10-18(19)22(32)28-20-9-7-17(24)12-25-20/h2-10,12,26H,11H2,1H3,(H,27,31)(H,29,30)(H,25,28,32)
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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 14: 989-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.080
BindingDB Entry DOI: 10.7270/Q2X34WXD
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50142165
PNG
(2-[4-(N'-Acetyl-hydrazinomethyl)-benzoylamino]-5-c...)
Show SMILES CC(=O)NNCc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C22H19Cl2N5O3/c1-13(30)29-26-11-14-2-4-15(5-3-14)21(31)27-19-8-6-16(23)10-18(19)22(32)28-20-9-7-17(24)12-25-20/h2-10,12,26H,11H2,1H3,(H,27,31)(H,29,30)(H,25,28,32)
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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 14: 989-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.080
BindingDB Entry DOI: 10.7270/Q2X34WXD
More data for this
Ligand-Target Pair