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BDBM50142144 5-Chloro-N-(5-chloro-pyridin-2-yl)-2-{4-[4-(1-imino-ethyl)-piperazin-1-ylmethyl]-benzoylamino}-benzamide::CHEMBL176210

SMILES: CC(=N)N1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)CC1

InChI Key: InChIKey=BIWNYYVXMJLICH-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 = 50142144   
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
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50142144
PNG
(5-Chloro-N-(5-chloro-pyridin-2-yl)-2-{4-[4-(1-imin...)
Show SMILES CC(=N)N1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)CC1
Show InChI InChI=1S/C26H26Cl2N6O2/c1-17(29)34-12-10-33(11-13-34)16-18-2-4-19(5-3-18)25(35)31-23-8-6-20(27)14-22(23)26(36)32-24-9-7-21(28)15-30-24/h2-9,14-15,29H,10-13,16H2,1H3,(H,31,35)(H,30,32,36)
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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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50142144
PNG
(5-Chloro-N-(5-chloro-pyridin-2-yl)-2-{4-[4-(1-imin...)
Show SMILES CC(=N)N1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)CC1
Show InChI InChI=1S/C26H26Cl2N6O2/c1-17(29)34-12-10-33(11-13-34)16-18-2-4-19(5-3-18)25(35)31-23-8-6-20(27)14-22(23)26(36)32-24-9-7-21(28)15-30-24/h2-9,14-15,29H,10-13,16H2,1H3,(H,31,35)(H,30,32,36)
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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
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM50142144
PNG
(5-Chloro-N-(5-chloro-pyridin-2-yl)-2-{4-[4-(1-imin...)
Show SMILES CC(=N)N1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)CC1
Show InChI InChI=1S/C26H26Cl2N6O2/c1-17(29)34-12-10-33(11-13-34)16-18-2-4-19(5-3-18)25(35)31-23-8-6-20(27)14-22(23)26(36)32-24-9-7-21(28)15-30-24/h2-9,14-15,29H,10-13,16H2,1H3,(H,31,35)(H,30,32,36)
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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
Coagulation factor X


(Homo sapiens (Human))
BDBM50142144
PNG
(5-Chloro-N-(5-chloro-pyridin-2-yl)-2-{4-[4-(1-imin...)
Show SMILES CC(=N)N1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)CC1
Show InChI InChI=1S/C26H26Cl2N6O2/c1-17(29)34-12-10-33(11-13-34)16-18-2-4-19(5-3-18)25(35)31-23-8-6-20(27)14-22(23)26(36)32-24-9-7-21(28)15-30-24/h2-9,14-15,29H,10-13,16H2,1H3,(H,31,35)(H,30,32,36)
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n/an/a 5n/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))
BDBM50142144
PNG
(5-Chloro-N-(5-chloro-pyridin-2-yl)-2-{4-[4-(1-imin...)
Show SMILES CC(=N)N1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)CC1
Show InChI InChI=1S/C26H26Cl2N6O2/c1-17(29)34-12-10-33(11-13-34)16-18-2-4-19(5-3-18)25(35)31-23-8-6-20(27)14-22(23)26(36)32-24-9-7-21(28)15-30-24/h2-9,14-15,29H,10-13,16H2,1H3,(H,31,35)(H,30,32,36)
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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
Trypsin-1


(Homo sapiens (Human))
BDBM50142144
PNG
(5-Chloro-N-(5-chloro-pyridin-2-yl)-2-{4-[4-(1-imin...)
Show SMILES CC(=N)N1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)CC1
Show InChI InChI=1S/C26H26Cl2N6O2/c1-17(29)34-12-10-33(11-13-34)16-18-2-4-19(5-3-18)25(35)31-23-8-6-20(27)14-22(23)26(36)32-24-9-7-21(28)15-30-24/h2-9,14-15,29H,10-13,16H2,1H3,(H,31,35)(H,30,32,36)
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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