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BDBM50142136 5-Chloro-N-(5-chloro-pyridin-2-yl)-2-(4-guanidinomethyl-benzoylamino)-benzamide::CHEMBL177444

SMILES: NC(=N)NCc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1

InChI Key: InChIKey=LYOKSLMCVXCMIB-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 = 50142136   
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
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM50142136
PNG
(5-Chloro-N-(5-chloro-pyridin-2-yl)-2-(4-guanidinom...)
Show SMILES NC(=N)NCc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C21H18Cl2N6O2/c22-14-5-7-17(16(9-14)20(31)29-18-8-6-15(23)11-26-18)28-19(30)13-3-1-12(2-4-13)10-27-21(24)25/h1-9,11H,10H2,(H,28,30)(H4,24,25,27)(H,26,29,31)
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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
Trypsin-1


(Homo sapiens (Human))
BDBM50142136
PNG
(5-Chloro-N-(5-chloro-pyridin-2-yl)-2-(4-guanidinom...)
Show SMILES NC(=N)NCc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C21H18Cl2N6O2/c22-14-5-7-17(16(9-14)20(31)29-18-8-6-15(23)11-26-18)28-19(30)13-3-1-12(2-4-13)10-27-21(24)25/h1-9,11H,10H2,(H,28,30)(H4,24,25,27)(H,26,29,31)
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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
Prothrombin


(Homo sapiens (Human))
BDBM50142136
PNG
(5-Chloro-N-(5-chloro-pyridin-2-yl)-2-(4-guanidinom...)
Show SMILES NC(=N)NCc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C21H18Cl2N6O2/c22-14-5-7-17(16(9-14)20(31)29-18-8-6-15(23)11-26-18)28-19(30)13-3-1-12(2-4-13)10-27-21(24)25/h1-9,11H,10H2,(H,28,30)(H4,24,25,27)(H,26,29,31)
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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
Coagulation factor X


(Homo sapiens (Human))
BDBM50142136
PNG
(5-Chloro-N-(5-chloro-pyridin-2-yl)-2-(4-guanidinom...)
Show SMILES NC(=N)NCc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C21H18Cl2N6O2/c22-14-5-7-17(16(9-14)20(31)29-18-8-6-15(23)11-26-18)28-19(30)13-3-1-12(2-4-13)10-27-21(24)25/h1-9,11H,10H2,(H,28,30)(H4,24,25,27)(H,26,29,31)
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n/an/a 1.40n/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
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50142136
PNG
(5-Chloro-N-(5-chloro-pyridin-2-yl)-2-(4-guanidinom...)
Show SMILES NC(=N)NCc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C21H18Cl2N6O2/c22-14-5-7-17(16(9-14)20(31)29-18-8-6-15(23)11-26-18)28-19(30)13-3-1-12(2-4-13)10-27-21(24)25/h1-9,11H,10H2,(H,28,30)(H4,24,25,27)(H,26,29,31)
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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
Plasminogen


(Homo sapiens (Human))
BDBM50142136
PNG
(5-Chloro-N-(5-chloro-pyridin-2-yl)-2-(4-guanidinom...)
Show SMILES NC(=N)NCc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C21H18Cl2N6O2/c22-14-5-7-17(16(9-14)20(31)29-18-8-6-15(23)11-26-18)28-19(30)13-3-1-12(2-4-13)10-27-21(24)25/h1-9,11H,10H2,(H,28,30)(H4,24,25,27)(H,26,29,31)
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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