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BDBM50142147 5-Chloro-N-(5-chloro-pyridin-2-yl)-2-[4-(2-methylimino-imidazolidin-1-ylmethyl)-benzoylamino]-benzamide::CHEMBL368494

SMILES: CNC1=NCCN1Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1

InChI Key: InChIKey=QNQZREPZGYVFSK-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 = 50142147   
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
Prothrombin


(Homo sapiens (Human))
BDBM50142147
PNG
(5-Chloro-N-(5-chloro-pyridin-2-yl)-2-[4-(2-methyli...)
Show SMILES CNC1=NCCN1Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1 |t:2|
Show InChI InChI=1S/C24H22Cl2N6O2/c1-27-24-28-10-11-32(24)14-15-2-4-16(5-3-15)22(33)30-20-8-6-17(25)12-19(20)23(34)31-21-9-7-18(26)13-29-21/h2-9,12-13H,10-11,14H2,1H3,(H,27,28)(H,30,33)(H,29,31,34)
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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
Trypsin-1


(Homo sapiens (Human))
BDBM50142147
PNG
(5-Chloro-N-(5-chloro-pyridin-2-yl)-2-[4-(2-methyli...)
Show SMILES CNC1=NCCN1Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1 |t:2|
Show InChI InChI=1S/C24H22Cl2N6O2/c1-27-24-28-10-11-32(24)14-15-2-4-16(5-3-15)22(33)30-20-8-6-17(25)12-19(20)23(34)31-21-9-7-18(26)13-29-21/h2-9,12-13H,10-11,14H2,1H3,(H,27,28)(H,30,33)(H,29,31,34)
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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
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50142147
PNG
(5-Chloro-N-(5-chloro-pyridin-2-yl)-2-[4-(2-methyli...)
Show SMILES CNC1=NCCN1Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1 |t:2|
Show InChI InChI=1S/C24H22Cl2N6O2/c1-27-24-28-10-11-32(24)14-15-2-4-16(5-3-15)22(33)30-20-8-6-17(25)12-19(20)23(34)31-21-9-7-18(26)13-29-21/h2-9,12-13H,10-11,14H2,1H3,(H,27,28)(H,30,33)(H,29,31,34)
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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
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM50142147
PNG
(5-Chloro-N-(5-chloro-pyridin-2-yl)-2-[4-(2-methyli...)
Show SMILES CNC1=NCCN1Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1 |t:2|
Show InChI InChI=1S/C24H22Cl2N6O2/c1-27-24-28-10-11-32(24)14-15-2-4-16(5-3-15)22(33)30-20-8-6-17(25)12-19(20)23(34)31-21-9-7-18(26)13-29-21/h2-9,12-13H,10-11,14H2,1H3,(H,27,28)(H,30,33)(H,29,31,34)
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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
Plasminogen


(Homo sapiens (Human))
BDBM50142147
PNG
(5-Chloro-N-(5-chloro-pyridin-2-yl)-2-[4-(2-methyli...)
Show SMILES CNC1=NCCN1Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1 |t:2|
Show InChI InChI=1S/C24H22Cl2N6O2/c1-27-24-28-10-11-32(24)14-15-2-4-16(5-3-15)22(33)30-20-8-6-17(25)12-19(20)23(34)31-21-9-7-18(26)13-29-21/h2-9,12-13H,10-11,14H2,1H3,(H,27,28)(H,30,33)(H,29,31,34)
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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
Coagulation factor X


(Homo sapiens (Human))
BDBM50142147
PNG
(5-Chloro-N-(5-chloro-pyridin-2-yl)-2-[4-(2-methyli...)
Show SMILES CNC1=NCCN1Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1 |t:2|
Show InChI InChI=1S/C24H22Cl2N6O2/c1-27-24-28-10-11-32(24)14-15-2-4-16(5-3-15)22(33)30-20-8-6-17(25)12-19(20)23(34)31-21-9-7-18(26)13-29-21/h2-9,12-13H,10-11,14H2,1H3,(H,27,28)(H,30,33)(H,29,31,34)
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n/an/a 3.5n/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